1 --------------------------------------------------------------------------------
3 --------------------------------------------------------------------------------
4 Input file : 1l2y_remini.inp
5 Output file : 1l2y_remini.out_GB000
7 Sidechain potential file :
8 /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
10 SCp potential file : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
11 Electrostatic potential file :
12 /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
13 Cumulant coefficient file :
14 /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
15 Torsional parameter file :
16 /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
17 Double torsional parameter file :
18 /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
19 SCCOR parameter file : /users/czarek/UNRES/GIT/unres/PARAM/rotcorr_AM1.parm
20 Bond & inertia constant file : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
21 Bending parameter file :
22 /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
23 Rotamer parameter file :
24 /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
26 /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
27 --------------------------------------------------------------------------------
28 ********************************************************************************
29 United-residue force field calculation - parallel job.
30 ********************************************************************************
31 ### LAST MODIFIED 11/03/09 1:19PM by czarek
32 ++++ Compile info ++++
33 Version CSA and DFA only
35 Potential is GB , exponents are 6 12
37 Disulfide bridge parameters:
38 S-S bridge energy: -5.50
39 d0cm: 3.78 akcm: 15.10
40 akth: 11.00 akct: 12.00
41 v1ss: -1.08 v2ss: 7.61 v3ss: 13.70
42 MPI: node= 0 iseed= -3059742
43 ran_num 0.273754117333397
49 Time limit (min): 960.0
51 Library routine used to diagonalize matrices.
53 ********************************************************************************
54 Options in energy minimization:
55 ********************************************************************************
56 MaxMin: 2000 MaxFun: 3000MinMin: 2000 MinFun: 2000 TolF: 1.00000E-02 RTolF: 1.00000E-04
58 Energy-term weights (unscaled):
60 WSCC= 1.352790 (SC-SC)
62 WELEC= 0.715340 (p-p electr)
63 WVDWPP= 0.113710 (p-p VDW)
64 WBOND= 1.000000 (stretching)
65 WANG= 1.138730 (bending)
66 WSCLOC= 0.162580 (SC local)
67 WTOR= 1.985990 (torsional)
68 WTORD= 1.570690 (double torsional)
69 WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
70 WEL_LOC= 0.160360 (multi-body 3-rd order)
71 WCORR4= 0.428870 (multi-body 4th order)
72 WCORR5= 0.000000 (multi-body 5th order)
73 WCORR6= 0.000000 (multi-body 6th order)
74 WSCCOR= 0.000000 (back-scloc correlation)
75 WTURN3= 1.687220 (turns, 3rd order)
76 WTURN4= 0.662300 (turns, 4th order)
77 WTURN6= 0.000000 (turns, 6th order)
78 WDFA_D= 0.000000 (DFA, distance)
79 WDFA_T= 0.000000 (DFA, torsional)
80 WDFA_N= 0.000000 (DFA, number of neighbor)
81 WDFA_B= 0.000000 (DFA, beta formation)
83 Hydrogen-bonding correlation between contact pairs of peptide groups
85 Scaling factor of 1,4 SC-p interactions: 0.400
86 General scaling factor of SC-p interactions: 1.000
88 Energy-term weights (scaled):
90 WSCC= 1.352790 (SC-SC)
92 WELEC= 0.715340 (p-p electr)
93 WVDWPP= 0.113710 (p-p VDW)
94 WBOND= 1.000000 (stretching)
95 WANG= 1.138730 (bending)
96 WSCLOC= 0.162580 (SC local)
97 WTOR= 1.985990 (torsional)
98 WTORD= 1.570690 (double torsional)
99 WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
100 WEL_LOC= 0.160360 (multi-body 3-rd order)
101 WCORR4= 0.428870 (multi-body 4th order)
102 WCORR5= 0.000000 (multi-body 5th order)
103 WCORR6= 0.000000 (multi-body 6th order)
104 WSCCOR= 0.000000 (back-scloc correlatkion)
105 WTURN3= 1.687220 (turns, 3rd order)
106 WTURN4= 0.662300 (turns, 4th order)
107 WTURN6= 0.000000 (turns, 6th order)
108 WDFA_D= 0.000000 (DFA, distance)
109 WDFA_T= 0.000000 (DFA, torsional)
110 WDFA_N= 0.000000 (DFA, number of neighbor)
111 WDFA_B= 0.000000 (DFA, beta formation)
112 Reference temperature for weights calculation: 300.000000000000
113 Parameters of the SS-bond potential:
114 D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH
115 11.0000000000000 AKCT 12.0000000000000
116 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
118 EBR -5.50000000000000
119 PDB data will be read from file 1l2y.pdb
121 Backbone and SC coordinates as read from the PDB
122 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051
123 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846
124 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550
125 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797
126 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393
127 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233
128 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450
129 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556
130 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146
131 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676
132 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593
133 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723
134 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058
135 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675
136 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546
137 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870
138 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986
139 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688
140 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856
141 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430
142 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488
143 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754
144 nsup= 20 nstart_sup= 2
168 Boundaries in phi angle sampling:
192 nsup= 20 nstart_sup= 2 nstart_seq= 2
193 NZ_START= 2 NZ_END= 21
195 Processor 0 CG group 0 absolute rank 0 nhpb
196 0 link_start= 1 link_end 0
197 Contact order: 0.337121212121212
198 Shifting contacts: 2 2
214 Geometry of the virtual chain.
215 Res d Theta Gamma Dsc Alpha Beta
216 D 1 0.000 0.000 0.000 0.000 0.000 0.000
217 ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452
218 LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530
219 TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440
220 ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333
221 GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638
222 TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913
223 LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750
224 LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960
225 ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646
226 GLY 11 3.800 89.908 56.679 0.000 0.000 0.000
227 GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000
228 PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580
229 SER 14 3.800 89.537 4.261 1.150 144.515 -129.218
230 SER 15 3.800 91.815 66.108 1.150 161.047 -100.177
231 GLY 16 3.800 101.784 70.140 0.000 0.000 0.000
232 ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716
233 PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024
234 PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417
235 PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207
236 SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341
237 D 22 3.800 114.201 180.000 0.000 0.000 0.000
240 ********************************************************************************
241 Processor 0: end reading molecular data.
242 ********************************************************************************
245 Energy minimization of multiple conformations calculation.
247 Conformations will be energy-minimized.
248 ********************************************************************************
250 Conformation # 1 read
251 Conformation # 2 read
252 Conformation # 3 read
253 Conformation # 4 read
254 Conformation # 5 read
255 Conformation # 6 read
256 Conformation # 7 read
259 Conformation # 1 sumsl return code 4
261 Virtual-chain energies:
263 EVDW= -5.277354E+01 WEIGHT= 1.352790D+00 (SC-SC)
264 EVDW2= 4.508194E+01 WEIGHT= 1.593040D+00 (SC-p)
265 EES= -9.028195E+01 WEIGHT= 7.153400D-01 (p-p)
266 EVDWPP= -1.823418E+01 WEIGHT= 1.137100D-01 (p-p VDW)
267 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
268 EBE= -3.853950E+01 WEIGHT= 1.138730D+00 (bending)
269 ESC= 3.678532E+01 WEIGHT= 1.625800D-01 (SC local)
270 ETORS= 9.535113E+00 WEIGHT= 1.985990D+00 (torsional)
271 ETORSD= -6.847777E-01 WEIGHT= 1.570690D+00 (double torsional)
272 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
273 ECORR4= -6.543204E+01 WEIGHT= 4.288700D-01 (multi-body)
274 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
275 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
276 EELLO= -3.344015E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
277 ETURN3= 1.734097E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
278 ETURN4= -4.504341E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
279 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
280 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
281 EDIHC= 0.000000E+00 (dihedral angle constraints)
282 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
283 UCONST= 0.000000E+00 (Constraint energy)
284 EDFAD= 5.491269-315 (DFA distance energy)
285 EDFAT= 6.953158-310 (DFA torsion energy)
286 EDFAN= 6.953158-310 (DFA NCa energy)
287 EDFAB= 2.650815-317 (DFA Beta energy)
288 ETOT= -8.811500E+01 (total)
289 RMS deviation from the reference structure: 4.330
290 % of native contacts: 25.000
291 % of nonnative contacts: 86.364
293 TM-score with the reference structure: 0.28
294 Conformation # 8 read
297 Conformation # 2 sumsl return code 4
299 Virtual-chain energies:
301 EVDW= -5.251962E+01 WEIGHT= 1.352790D+00 (SC-SC)
302 EVDW2= 4.557509E+01 WEIGHT= 1.593040D+00 (SC-p)
303 EES= -8.190080E+01 WEIGHT= 7.153400D-01 (p-p)
304 EVDWPP= -3.790640E+01 WEIGHT= 1.137100D-01 (p-p VDW)
305 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
306 EBE= -3.825219E+01 WEIGHT= 1.138730D+00 (bending)
307 ESC= 3.402944E+01 WEIGHT= 1.625800D-01 (SC local)
308 ETORS= 7.601050E+00 WEIGHT= 1.985990D+00 (torsional)
309 ETORSD= -8.209400E-01 WEIGHT= 1.570690D+00 (double torsional)
310 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
311 ECORR4= -6.006181E+01 WEIGHT= 4.288700D-01 (multi-body)
312 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
313 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
314 EELLO= -4.725545E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
315 ETURN3= 1.530709E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
316 ETURN4= -7.157145E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
317 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
318 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
319 EDIHC= 0.000000E+00 (dihedral angle constraints)
320 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
321 UCONST= 0.000000E+00 (Constraint energy)
322 EDFAD= 5.491269-315 (DFA distance energy)
323 EDFAT= 6.953158-310 (DFA torsion energy)
324 EDFAN= 6.953158-310 (DFA NCa energy)
325 EDFAB= 2.650815-317 (DFA Beta energy)
326 ETOT= -8.672666E+01 (total)
327 RMS deviation from the reference structure: 3.773
328 % of native contacts: 33.333
329 % of nonnative contacts: 81.818
331 TM-score with the reference structure: 0.29
332 Conformation # 9 read
335 Conformation # 8 sumsl return code 4
337 Virtual-chain energies:
339 EVDW= -5.862641E+01 WEIGHT= 1.352790D+00 (SC-SC)
340 EVDW2= 5.301176E+01 WEIGHT= 1.593040D+00 (SC-p)
341 EES= -1.055439E+02 WEIGHT= 7.153400D-01 (p-p)
342 EVDWPP= -2.881512E+01 WEIGHT= 1.137100D-01 (p-p VDW)
343 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
344 EBE= -3.731283E+01 WEIGHT= 1.138730D+00 (bending)
345 ESC= 5.999344E+01 WEIGHT= 1.625800D-01 (SC local)
346 ETORS= 1.274223E+01 WEIGHT= 1.985990D+00 (torsional)
347 ETORSD= -2.776734E+00 WEIGHT= 1.570690D+00 (double torsional)
348 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
349 ECORR4= -8.174841E+01 WEIGHT= 4.288700D-01 (multi-body)
350 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
351 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
352 EELLO= -6.338756E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
353 ETURN3= 1.909217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
354 ETURN4= 4.173937E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
355 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
356 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
357 EDIHC= 0.000000E+00 (dihedral angle constraints)
358 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
359 UCONST= 0.000000E+00 (Constraint energy)
360 EDFAD= 5.491269-315 (DFA distance energy)
361 EDFAT= 6.953158-310 (DFA torsion energy)
362 EDFAN= 6.953158-310 (DFA NCa energy)
363 EDFAB= 2.650815-317 (DFA Beta energy)
364 ETOT= -8.926226E+01 (total)
365 RMS deviation from the reference structure: 2.390
366 % of native contacts: 50.000
367 % of nonnative contacts: 76.000
369 TM-score with the reference structure: 0.31
370 Conformation # 10 read
373 Conformation # 3 sumsl return code 4
375 Virtual-chain energies:
377 EVDW= -5.446570E+01 WEIGHT= 1.352790D+00 (SC-SC)
378 EVDW2= 5.095837E+01 WEIGHT= 1.593040D+00 (SC-p)
379 EES= -1.014688E+02 WEIGHT= 7.153400D-01 (p-p)
380 EVDWPP= -2.553049E+01 WEIGHT= 1.137100D-01 (p-p VDW)
381 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
382 EBE= -3.717367E+01 WEIGHT= 1.138730D+00 (bending)
383 ESC= 3.886158E+01 WEIGHT= 1.625800D-01 (SC local)
384 ETORS= 9.379677E+00 WEIGHT= 1.985990D+00 (torsional)
385 ETORSD= -1.577902E-01 WEIGHT= 1.570690D+00 (double torsional)
386 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
387 ECORR4= -7.663803E+01 WEIGHT= 4.288700D-01 (multi-body)
388 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
389 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
390 EELLO= -5.522605E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
391 ETURN3= 1.798679E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
392 ETURN4= -2.750991E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
393 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
394 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
395 EDIHC= 0.000000E+00 (dihedral angle constraints)
396 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
397 UCONST= 0.000000E+00 (Constraint energy)
398 EDFAD= 5.491269-315 (DFA distance energy)
399 EDFAT= 6.953158-310 (DFA torsion energy)
400 EDFAN= 6.953158-310 (DFA NCa energy)
401 EDFAB= 2.650815-317 (DFA Beta energy)
402 ETOT= -9.084990E+01 (total)
403 RMS deviation from the reference structure: 2.363
404 % of native contacts: 50.000
405 % of nonnative contacts: 73.913
407 TM-score with the reference structure: 0.30
408 Conformation # 11 read
411 Conformation # 4 sumsl return code 4
413 Virtual-chain energies:
415 EVDW= -5.606096E+01 WEIGHT= 1.352790D+00 (SC-SC)
416 EVDW2= 5.183437E+01 WEIGHT= 1.593040D+00 (SC-p)
417 EES= -9.589161E+01 WEIGHT= 7.153400D-01 (p-p)
418 EVDWPP= -3.463962E+01 WEIGHT= 1.137100D-01 (p-p VDW)
419 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
420 EBE= -3.689767E+01 WEIGHT= 1.138730D+00 (bending)
421 ESC= 4.826127E+01 WEIGHT= 1.625800D-01 (SC local)
422 ETORS= 1.089311E+01 WEIGHT= 1.985990D+00 (torsional)
423 ETORSD= -3.224204E+00 WEIGHT= 1.570690D+00 (double torsional)
424 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
425 ECORR4= -7.305783E+01 WEIGHT= 4.288700D-01 (multi-body)
426 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
427 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
428 EELLO= -5.019873E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
429 ETURN3= 1.660095E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
430 ETURN4= 1.544380E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
431 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
432 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
433 EDIHC= 0.000000E+00 (dihedral angle constraints)
434 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
435 UCONST= 0.000000E+00 (Constraint energy)
436 EDFAD= 5.491269-315 (DFA distance energy)
437 EDFAT= 6.953158-310 (DFA torsion energy)
438 EDFAN= 6.953158-310 (DFA NCa energy)
439 EDFAB= 2.650815-317 (DFA Beta energy)
440 ETOT= -8.650422E+01 (total)
441 RMS deviation from the reference structure: 2.838
442 % of native contacts: 66.667
443 % of nonnative contacts: 66.667
445 TM-score with the reference structure: 0.30
446 Conformation # 12 read
449 Conformation # 5 sumsl return code 4
451 Virtual-chain energies:
453 EVDW= -5.255290E+01 WEIGHT= 1.352790D+00 (SC-SC)
454 EVDW2= 4.613237E+01 WEIGHT= 1.593040D+00 (SC-p)
455 EES= -8.862998E+01 WEIGHT= 7.153400D-01 (p-p)
456 EVDWPP= -1.686846E+01 WEIGHT= 1.137100D-01 (p-p VDW)
457 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
458 EBE= -4.122921E+01 WEIGHT= 1.138730D+00 (bending)
459 ESC= 3.531262E+01 WEIGHT= 1.625800D-01 (SC local)
460 ETORS= 1.092826E+01 WEIGHT= 1.985990D+00 (torsional)
461 ETORSD= -2.038125E+00 WEIGHT= 1.570690D+00 (double torsional)
462 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
463 ECORR4= -6.579283E+01 WEIGHT= 4.288700D-01 (multi-body)
464 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
465 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
466 EELLO= -1.609632E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
467 ETURN3= 1.869754E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
468 ETURN4= -5.053111E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
469 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
470 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
471 EDIHC= 0.000000E+00 (dihedral angle constraints)
472 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
473 UCONST= 0.000000E+00 (Constraint energy)
474 EDFAD= 5.491269-315 (DFA distance energy)
475 EDFAT= 6.953158-310 (DFA torsion energy)
476 EDFAN= 6.953158-310 (DFA NCa energy)
477 EDFAB= 2.650815-317 (DFA Beta energy)
478 ETOT= -8.590119E+01 (total)
479 RMS deviation from the reference structure: 5.007
480 % of native contacts: 33.333
481 % of nonnative contacts: 83.333
483 TM-score with the reference structure: 0.26
484 Conformation # 13 read
487 Conformation # 12 sumsl return code 4
489 Virtual-chain energies:
491 EVDW= -5.113255E+01 WEIGHT= 1.352790D+00 (SC-SC)
492 EVDW2= 5.019779E+01 WEIGHT= 1.593040D+00 (SC-p)
493 EES= -9.003293E+01 WEIGHT= 7.153400D-01 (p-p)
494 EVDWPP= -3.975284E+01 WEIGHT= 1.137100D-01 (p-p VDW)
495 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
496 EBE= -3.403177E+01 WEIGHT= 1.138730D+00 (bending)
497 ESC= 2.528815E+01 WEIGHT= 1.625800D-01 (SC local)
498 ETORS= 6.670682E+00 WEIGHT= 1.985990D+00 (torsional)
499 ETORSD= 3.814703E-01 WEIGHT= 1.570690D+00 (double torsional)
500 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
501 ECORR4= -6.732171E+01 WEIGHT= 4.288700D-01 (multi-body)
502 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
503 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
504 EELLO= -5.201922E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
505 ETURN3= 1.498134E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
506 ETURN4= -2.412060E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
507 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
508 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
509 EDIHC= 0.000000E+00 (dihedral angle constraints)
510 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
511 UCONST= 0.000000E+00 (Constraint energy)
512 EDFAD= 5.491269-315 (DFA distance energy)
513 EDFAT= 6.953158-310 (DFA torsion energy)
514 EDFAN= 6.953158-310 (DFA NCa energy)
515 EDFAB= 2.650815-317 (DFA Beta energy)
516 ETOT= -8.495066E+01 (total)
517 RMS deviation from the reference structure: 3.856
518 % of native contacts: 33.333
519 % of nonnative contacts: 78.947
521 TM-score with the reference structure: 0.26
522 Conformation # 14 read
525 Conformation # 9 sumsl return code 4
527 Virtual-chain energies:
529 EVDW= -5.332975E+01 WEIGHT= 1.352790D+00 (SC-SC)
530 EVDW2= 4.661068E+01 WEIGHT= 1.593040D+00 (SC-p)
531 EES= -8.453295E+01 WEIGHT= 7.153400D-01 (p-p)
532 EVDWPP= -3.569863E+01 WEIGHT= 1.137100D-01 (p-p VDW)
533 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
534 EBE= -3.585748E+01 WEIGHT= 1.138730D+00 (bending)
535 ESC= 4.161979E+01 WEIGHT= 1.625800D-01 (SC local)
536 ETORS= 9.791943E+00 WEIGHT= 1.985990D+00 (torsional)
537 ETORSD= -3.211485E+00 WEIGHT= 1.570690D+00 (double torsional)
538 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
539 ECORR4= -6.511112E+01 WEIGHT= 4.288700D-01 (multi-body)
540 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
541 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
542 EELLO= -2.001138E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
543 ETURN3= 1.467991E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
544 ETURN4= 2.448021E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
545 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
546 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
547 EDIHC= 0.000000E+00 (dihedral angle constraints)
548 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
549 UCONST= 0.000000E+00 (Constraint energy)
550 EDFAD= 5.491269-315 (DFA distance energy)
551 EDFAT= 6.953158-310 (DFA torsion energy)
552 EDFAN= 6.953158-310 (DFA NCa energy)
553 EDFAB= 2.650815-317 (DFA Beta energy)
554 ETOT= -8.393890E+01 (total)
555 RMS deviation from the reference structure: 3.263
556 % of native contacts: 41.667
557 % of nonnative contacts: 72.222
559 TM-score with the reference structure: 0.28
560 Conformation # 15 read
563 Conformation # 11 sumsl return code 4
565 Virtual-chain energies:
567 EVDW= -5.294992E+01 WEIGHT= 1.352790D+00 (SC-SC)
568 EVDW2= 5.050672E+01 WEIGHT= 1.593040D+00 (SC-p)
569 EES= -1.003682E+02 WEIGHT= 7.153400D-01 (p-p)
570 EVDWPP= -2.331990E+01 WEIGHT= 1.137100D-01 (p-p VDW)
571 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
572 EBE= -3.851707E+01 WEIGHT= 1.138730D+00 (bending)
573 ESC= 4.201115E+01 WEIGHT= 1.625800D-01 (SC local)
574 ETORS= 1.081144E+01 WEIGHT= 1.985990D+00 (torsional)
575 ETORSD= -8.681825E-01 WEIGHT= 1.570690D+00 (double torsional)
576 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
577 ECORR4= -7.698306E+01 WEIGHT= 4.288700D-01 (multi-body)
578 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
579 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
580 EELLO= -7.837837E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
581 ETURN3= 1.913565E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
582 ETURN4= 1.242277E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
583 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
584 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
585 EDIHC= 0.000000E+00 (dihedral angle constraints)
586 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
587 UCONST= 0.000000E+00 (Constraint energy)
588 EDFAD= 5.491269-315 (DFA distance energy)
589 EDFAT= 6.953158-310 (DFA torsion energy)
590 EDFAN= 6.953158-310 (DFA NCa energy)
591 EDFAB= 2.650815-317 (DFA Beta energy)
592 ETOT= -8.370635E+01 (total)
593 RMS deviation from the reference structure: 2.662
594 % of native contacts: 50.000
595 % of nonnative contacts: 68.421
597 TM-score with the reference structure: 0.34
598 Conformation # 16 read
601 Conformation # 13 sumsl return code 4
603 Virtual-chain energies:
605 EVDW= -5.568824E+01 WEIGHT= 1.352790D+00 (SC-SC)
606 EVDW2= 4.807903E+01 WEIGHT= 1.593040D+00 (SC-p)
607 EES= -9.705815E+01 WEIGHT= 7.153400D-01 (p-p)
608 EVDWPP= -2.142859E+01 WEIGHT= 1.137100D-01 (p-p VDW)
609 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
610 EBE= -3.949115E+01 WEIGHT= 1.138730D+00 (bending)
611 ESC= 5.020830E+01 WEIGHT= 1.625800D-01 (SC local)
612 ETORS= 1.211619E+01 WEIGHT= 1.985990D+00 (torsional)
613 ETORSD= -1.989802E+00 WEIGHT= 1.570690D+00 (double torsional)
614 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
615 ECORR4= -7.175321E+01 WEIGHT= 4.288700D-01 (multi-body)
616 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
617 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
618 EELLO= -3.799534E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
619 ETURN3= 1.920286E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
620 ETURN4= -1.109910E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
621 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
622 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
623 EDIHC= 0.000000E+00 (dihedral angle constraints)
624 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
625 UCONST= 0.000000E+00 (Constraint energy)
626 EDFAD= 5.491269-315 (DFA distance energy)
627 EDFAT= 6.953158-310 (DFA torsion energy)
628 EDFAN= 6.953158-310 (DFA NCa energy)
629 EDFAB= 2.650815-317 (DFA Beta energy)
630 ETOT= -8.619624E+01 (total)
631 RMS deviation from the reference structure: 3.189
632 % of native contacts: 33.333
633 % of nonnative contacts: 77.778
635 TM-score with the reference structure: 0.30
636 Conformation # 17 read
639 Conformation # 14 sumsl return code 4
641 Virtual-chain energies:
643 EVDW= -5.435598E+01 WEIGHT= 1.352790D+00 (SC-SC)
644 EVDW2= 5.746673E+01 WEIGHT= 1.593040D+00 (SC-p)
645 EES= -1.188868E+02 WEIGHT= 7.153400D-01 (p-p)
646 EVDWPP= -1.550369E+01 WEIGHT= 1.137100D-01 (p-p VDW)
647 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
648 EBE= -4.309544E+01 WEIGHT= 1.138730D+00 (bending)
649 ESC= 5.501581E+01 WEIGHT= 1.625800D-01 (SC local)
650 ETORS= 1.332449E+01 WEIGHT= 1.985990D+00 (torsional)
651 ETORSD= 1.706847E+00 WEIGHT= 1.570690D+00 (double torsional)
652 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
653 ECORR4= -8.438464E+01 WEIGHT= 4.288700D-01 (multi-body)
654 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
655 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
656 EELLO= -2.386849E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
657 ETURN3= 1.927296E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
658 ETURN4= -2.127999E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
659 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
660 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
661 EDIHC= 0.000000E+00 (dihedral angle constraints)
662 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
663 UCONST= 0.000000E+00 (Constraint energy)
664 EDFAD= 5.491269-315 (DFA distance energy)
665 EDFAT= 6.953158-310 (DFA torsion energy)
666 EDFAN= 6.953158-310 (DFA NCa energy)
667 EDFAB= 2.650815-317 (DFA Beta energy)
668 ETOT= -8.524364E+01 (total)
669 RMS deviation from the reference structure: 2.759
670 % of native contacts: 25.000
671 % of nonnative contacts: 85.714
673 TM-score with the reference structure: 0.28
674 Conformation # 18 read
677 Conformation # 10 sumsl return code 4
679 Virtual-chain energies:
681 EVDW= -4.981905E+01 WEIGHT= 1.352790D+00 (SC-SC)
682 EVDW2= 4.887691E+01 WEIGHT= 1.593040D+00 (SC-p)
683 EES= -9.530715E+01 WEIGHT= 7.153400D-01 (p-p)
684 EVDWPP= -2.323506E+01 WEIGHT= 1.137100D-01 (p-p VDW)
685 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
686 EBE= -4.149720E+01 WEIGHT= 1.138730D+00 (bending)
687 ESC= 4.631020E+01 WEIGHT= 1.625800D-01 (SC local)
688 ETORS= 8.887848E+00 WEIGHT= 1.985990D+00 (torsional)
689 ETORSD= 3.522291E-01 WEIGHT= 1.570690D+00 (double torsional)
690 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
691 ECORR4= -6.770895E+01 WEIGHT= 4.288700D-01 (multi-body)
692 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
693 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
694 EELLO= -2.963244E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
695 ETURN3= 1.745600E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
696 ETURN4= -3.277685E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
697 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
698 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
699 EDIHC= 0.000000E+00 (dihedral angle constraints)
700 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
701 UCONST= 0.000000E+00 (Constraint energy)
702 EDFAD= 5.491269-315 (DFA distance energy)
703 EDFAT= 6.953158-310 (DFA torsion energy)
704 EDFAN= 6.953158-310 (DFA NCa energy)
705 EDFAB= 2.650815-317 (DFA Beta energy)
706 ETOT= -8.410371E+01 (total)
707 RMS deviation from the reference structure: 4.352
708 % of native contacts: 33.333
709 % of nonnative contacts: 80.000
711 TM-score with the reference structure: 0.31
712 Conformation # 19 read
715 Conformation # 6 sumsl return code 4
717 Virtual-chain energies:
719 EVDW= -4.823637E+01 WEIGHT= 1.352790D+00 (SC-SC)
720 EVDW2= 5.043497E+01 WEIGHT= 1.593040D+00 (SC-p)
721 EES= -1.041185E+02 WEIGHT= 7.153400D-01 (p-p)
722 EVDWPP= -2.478391E+01 WEIGHT= 1.137100D-01 (p-p VDW)
723 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
724 EBE= -4.213669E+01 WEIGHT= 1.138730D+00 (bending)
725 ESC= 2.308211E+01 WEIGHT= 1.625800D-01 (SC local)
726 ETORS= 1.276850E+01 WEIGHT= 1.985990D+00 (torsional)
727 ETORSD= -2.275841E+00 WEIGHT= 1.570690D+00 (double torsional)
728 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
729 ECORR4= -7.557997E+01 WEIGHT= 4.288700D-01 (multi-body)
730 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
731 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
732 EELLO= -9.440949E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
733 ETURN3= 1.819141E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
734 ETURN4= 5.679845E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
735 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
736 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
737 EDIHC= 0.000000E+00 (dihedral angle constraints)
738 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
739 UCONST= 0.000000E+00 (Constraint energy)
740 EDFAD= 5.491269-315 (DFA distance energy)
741 EDFAT= 6.953158-310 (DFA torsion energy)
742 EDFAN= 6.953158-310 (DFA NCa energy)
743 EDFAB= 2.650815-317 (DFA Beta energy)
744 ETOT= -8.412650E+01 (total)
745 RMS deviation from the reference structure: 4.360
746 % of native contacts: 41.667
747 % of nonnative contacts: 76.190
749 TM-score with the reference structure: 0.26
750 Conformation # 20 read
753 Conformation # 18 sumsl return code 4
755 Virtual-chain energies:
757 EVDW= -5.320903E+01 WEIGHT= 1.352790D+00 (SC-SC)
758 EVDW2= 4.265324E+01 WEIGHT= 1.593040D+00 (SC-p)
759 EES= -7.984191E+01 WEIGHT= 7.153400D-01 (p-p)
760 EVDWPP= -2.514152E+01 WEIGHT= 1.137100D-01 (p-p VDW)
761 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
762 EBE= -4.043931E+01 WEIGHT= 1.138730D+00 (bending)
763 ESC= 4.975010E+01 WEIGHT= 1.625800D-01 (SC local)
764 ETORS= 9.844163E+00 WEIGHT= 1.985990D+00 (torsional)
765 ETORSD= -3.039428E-01 WEIGHT= 1.570690D+00 (double torsional)
766 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
767 ECORR4= -5.337439E+01 WEIGHT= 4.288700D-01 (multi-body)
768 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
769 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
770 EELLO= -5.043572E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
771 ETURN3= 1.310750E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
772 ETURN4= -1.164680E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
773 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
774 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
775 EDIHC= 0.000000E+00 (dihedral angle constraints)
776 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
777 UCONST= 0.000000E+00 (Constraint energy)
778 EDFAD= 5.491269-315 (DFA distance energy)
779 EDFAT= 6.953158-310 (DFA torsion energy)
780 EDFAN= 6.953158-310 (DFA NCa energy)
781 EDFAB= 2.650815-317 (DFA Beta energy)
782 ETOT= -8.452105E+01 (total)
783 RMS deviation from the reference structure: 4.901
784 % of native contacts: 16.667
785 % of nonnative contacts: 88.889
787 TM-score with the reference structure: 0.27
788 Conformation # 21 read
791 Conformation # 19 sumsl return code 4
793 Virtual-chain energies:
795 EVDW= -5.355968E+01 WEIGHT= 1.352790D+00 (SC-SC)
796 EVDW2= 5.202265E+01 WEIGHT= 1.593040D+00 (SC-p)
797 EES= -1.105238E+02 WEIGHT= 7.153400D-01 (p-p)
798 EVDWPP= -1.860241E+01 WEIGHT= 1.137100D-01 (p-p VDW)
799 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
800 EBE= -3.883534E+01 WEIGHT= 1.138730D+00 (bending)
801 ESC= 4.166351E+01 WEIGHT= 1.625800D-01 (SC local)
802 ETORS= 1.340612E+01 WEIGHT= 1.985990D+00 (torsional)
803 ETORSD= -2.521998E+00 WEIGHT= 1.570690D+00 (double torsional)
804 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
805 ECORR4= -8.293655E+01 WEIGHT= 4.288700D-01 (multi-body)
806 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
807 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
808 EELLO= -3.693420E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
809 ETURN3= 2.130382E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
810 ETURN4= -5.424474E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
811 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
812 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
813 EDIHC= 0.000000E+00 (dihedral angle constraints)
814 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
815 UCONST= 0.000000E+00 (Constraint energy)
816 EDFAD= 5.491269-315 (DFA distance energy)
817 EDFAT= 6.953158-310 (DFA torsion energy)
818 EDFAN= 6.953158-310 (DFA NCa energy)
819 EDFAB= 2.650815-317 (DFA Beta energy)
820 ETOT= -8.612065E+01 (total)
821 RMS deviation from the reference structure: 2.066
822 % of native contacts: 41.667
823 % of nonnative contacts: 73.684
825 TM-score with the reference structure: 0.30
826 Conformation # 22 read
829 Conformation # 15 sumsl return code 4
831 Virtual-chain energies:
833 EVDW= -5.393971E+01 WEIGHT= 1.352790D+00 (SC-SC)
834 EVDW2= 4.119798E+01 WEIGHT= 1.593040D+00 (SC-p)
835 EES= -6.697123E+01 WEIGHT= 7.153400D-01 (p-p)
836 EVDWPP= -3.107123E+01 WEIGHT= 1.137100D-01 (p-p VDW)
837 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
838 EBE= -3.782482E+01 WEIGHT= 1.138730D+00 (bending)
839 ESC= 4.791055E+01 WEIGHT= 1.625800D-01 (SC local)
840 ETORS= 5.046919E+00 WEIGHT= 1.985990D+00 (torsional)
841 ETORSD= -1.223048E+00 WEIGHT= 1.570690D+00 (double torsional)
842 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
843 ECORR4= -4.759077E+01 WEIGHT= 4.288700D-01 (multi-body)
844 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
845 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
846 EELLO= -2.842830E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
847 ETURN3= 1.337713E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
848 ETURN4= -1.286381E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
849 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
850 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
851 EDIHC= 0.000000E+00 (dihedral angle constraints)
852 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
853 UCONST= 0.000000E+00 (Constraint energy)
854 EDFAD= 5.491269-315 (DFA distance energy)
855 EDFAT= 6.953158-310 (DFA torsion energy)
856 EDFAN= 6.953158-310 (DFA NCa energy)
857 EDFAB= 2.650815-317 (DFA Beta energy)
858 ETOT= -8.510817E+01 (total)
859 RMS deviation from the reference structure: 5.534
860 % of native contacts: 16.667
861 % of nonnative contacts: 88.889
863 TM-score with the reference structure: 0.22
864 Conformation # 23 read
867 Conformation # 16 sumsl return code 4
869 Virtual-chain energies:
871 EVDW= -5.178581E+01 WEIGHT= 1.352790D+00 (SC-SC)
872 EVDW2= 4.899764E+01 WEIGHT= 1.593040D+00 (SC-p)
873 EES= -1.022824E+02 WEIGHT= 7.153400D-01 (p-p)
874 EVDWPP= -2.355912E+01 WEIGHT= 1.137100D-01 (p-p VDW)
875 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
876 EBE= -3.973775E+01 WEIGHT= 1.138730D+00 (bending)
877 ESC= 4.925084E+01 WEIGHT= 1.625800D-01 (SC local)
878 ETORS= 1.045547E+01 WEIGHT= 1.985990D+00 (torsional)
879 ETORSD= 1.030940E+00 WEIGHT= 1.570690D+00 (double torsional)
880 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
881 ECORR4= -7.143612E+01 WEIGHT= 4.288700D-01 (multi-body)
882 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
883 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
884 EELLO= -3.207441E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
885 ETURN3= 1.751181E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
886 ETURN4= -3.219025E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
887 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
888 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
889 EDIHC= 0.000000E+00 (dihedral angle constraints)
890 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
891 UCONST= 0.000000E+00 (Constraint energy)
892 EDFAD= 5.491269-315 (DFA distance energy)
893 EDFAT= 6.953158-310 (DFA torsion energy)
894 EDFAN= 6.953158-310 (DFA NCa energy)
895 EDFAB= 2.650815-317 (DFA Beta energy)
896 ETOT= -8.644219E+01 (total)
897 RMS deviation from the reference structure: 3.751
898 % of native contacts: 41.667
899 % of nonnative contacts: 72.222
901 TM-score with the reference structure: 0.35
902 Conformation # 24 read
905 Conformation # 21 sumsl return code 4
907 Virtual-chain energies:
909 EVDW= -5.209547E+01 WEIGHT= 1.352790D+00 (SC-SC)
910 EVDW2= 4.960598E+01 WEIGHT= 1.593040D+00 (SC-p)
911 EES= -1.007532E+02 WEIGHT= 7.153400D-01 (p-p)
912 EVDWPP= -3.312577E+01 WEIGHT= 1.137100D-01 (p-p VDW)
913 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
914 EBE= -3.692262E+01 WEIGHT= 1.138730D+00 (bending)
915 ESC= 4.668591E+01 WEIGHT= 1.625800D-01 (SC local)
916 ETORS= 9.319555E+00 WEIGHT= 1.985990D+00 (torsional)
917 ETORSD= 7.202522E-01 WEIGHT= 1.570690D+00 (double torsional)
918 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
919 ECORR4= -7.522025E+01 WEIGHT= 4.288700D-01 (multi-body)
920 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
921 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
922 EELLO= -5.412357E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
923 ETURN3= 1.859969E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
924 ETURN4= -3.150648E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
925 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
926 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
927 EDIHC= 0.000000E+00 (dihedral angle constraints)
928 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
929 UCONST= 0.000000E+00 (Constraint energy)
930 EDFAD= 5.491269-315 (DFA distance energy)
931 EDFAT= 6.953158-310 (DFA torsion energy)
932 EDFAN= 6.953158-310 (DFA NCa energy)
933 EDFAB= 2.650815-317 (DFA Beta energy)
934 ETOT= -8.593686E+01 (total)
935 RMS deviation from the reference structure: 3.048
936 % of native contacts: 41.667
937 % of nonnative contacts: 72.222
939 TM-score with the reference structure: 0.30
940 Conformation # 25 read
943 Conformation # 24 sumsl return code 4
945 Virtual-chain energies:
947 EVDW= -5.959887E+01 WEIGHT= 1.352790D+00 (SC-SC)
948 EVDW2= 5.259419E+01 WEIGHT= 1.593040D+00 (SC-p)
949 EES= -1.036390E+02 WEIGHT= 7.153400D-01 (p-p)
950 EVDWPP= -2.768958E+01 WEIGHT= 1.137100D-01 (p-p VDW)
951 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
952 EBE= -3.730950E+01 WEIGHT= 1.138730D+00 (bending)
953 ESC= 5.379161E+01 WEIGHT= 1.625800D-01 (SC local)
954 ETORS= 1.228088E+01 WEIGHT= 1.985990D+00 (torsional)
955 ETORSD= -2.606335E+00 WEIGHT= 1.570690D+00 (double torsional)
956 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
957 ECORR4= -8.016506E+01 WEIGHT= 4.288700D-01 (multi-body)
958 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
959 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
960 EELLO= -5.103705E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
961 ETURN3= 1.889639E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
962 ETURN4= 1.885530E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
963 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
964 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
965 EDIHC= 0.000000E+00 (dihedral angle constraints)
966 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
967 UCONST= 0.000000E+00 (Constraint energy)
968 EDFAD= 5.491269-315 (DFA distance energy)
969 EDFAT= 6.953158-310 (DFA torsion energy)
970 EDFAN= 6.953158-310 (DFA NCa energy)
971 EDFAB= 2.650815-317 (DFA Beta energy)
972 ETOT= -9.076142E+01 (total)
973 RMS deviation from the reference structure: 2.745
974 % of native contacts: 50.000
975 % of nonnative contacts: 73.913
977 TM-score with the reference structure: 0.32
978 Conformation # 26 read
981 Conformation # 17 sumsl return code 4
983 Virtual-chain energies:
985 EVDW= -5.235103E+01 WEIGHT= 1.352790D+00 (SC-SC)
986 EVDW2= 4.749328E+01 WEIGHT= 1.593040D+00 (SC-p)
987 EES= -9.670471E+01 WEIGHT= 7.153400D-01 (p-p)
988 EVDWPP= -2.194073E+01 WEIGHT= 1.137100D-01 (p-p VDW)
989 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
990 EBE= -3.858333E+01 WEIGHT= 1.138730D+00 (bending)
991 ESC= 2.961369E+01 WEIGHT= 1.625800D-01 (SC local)
992 ETORS= 1.220687E+01 WEIGHT= 1.985990D+00 (torsional)
993 ETORSD= -2.575766E+00 WEIGHT= 1.570690D+00 (double torsional)
994 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
995 ECORR4= -7.013102E+01 WEIGHT= 4.288700D-01 (multi-body)
996 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
997 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
998 EELLO= -2.186376E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
999 ETURN3= 1.709036E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1000 ETURN4= 1.631072E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1001 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1002 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1003 EDIHC= 0.000000E+00 (dihedral angle constraints)
1004 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1005 UCONST= 0.000000E+00 (Constraint energy)
1006 EDFAD= 5.491269-315 (DFA distance energy)
1007 EDFAT= 6.953158-310 (DFA torsion energy)
1008 EDFAN= 6.953158-310 (DFA NCa energy)
1009 EDFAB= 2.650815-317 (DFA Beta energy)
1010 ETOT= -8.595398E+01 (total)
1011 RMS deviation from the reference structure: 3.547
1012 % of native contacts: 41.667
1013 % of nonnative contacts: 77.273
1014 contact order: 0.372
1015 TM-score with the reference structure: 0.29
1016 Conformation # 27 read
1019 Conformation # 20 sumsl return code 4
1021 Virtual-chain energies:
1023 EVDW= -5.712491E+01 WEIGHT= 1.352790D+00 (SC-SC)
1024 EVDW2= 5.358028E+01 WEIGHT= 1.593040D+00 (SC-p)
1025 EES= -1.023690E+02 WEIGHT= 7.153400D-01 (p-p)
1026 EVDWPP= -3.246488E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1027 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1028 EBE= -3.627658E+01 WEIGHT= 1.138730D+00 (bending)
1029 ESC= 4.396225E+01 WEIGHT= 1.625800D-01 (SC local)
1030 ETORS= 1.207184E+01 WEIGHT= 1.985990D+00 (torsional)
1031 ETORSD= -3.068193E+00 WEIGHT= 1.570690D+00 (double torsional)
1032 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1033 ECORR4= -8.012362E+01 WEIGHT= 4.288700D-01 (multi-body)
1034 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1035 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1036 EELLO= -8.833236E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1037 ETURN3= 1.858513E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1038 ETURN4= 2.893610E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1039 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1040 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1041 EDIHC= 0.000000E+00 (dihedral angle constraints)
1042 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1043 UCONST= 0.000000E+00 (Constraint energy)
1044 EDFAD= 5.491269-315 (DFA distance energy)
1045 EDFAT= 6.953158-310 (DFA torsion energy)
1046 EDFAN= 6.953158-310 (DFA NCa energy)
1047 EDFAB= 2.650815-317 (DFA Beta energy)
1048 ETOT= -8.635467E+01 (total)
1049 RMS deviation from the reference structure: 3.133
1050 % of native contacts: 41.667
1051 % of nonnative contacts: 76.190
1052 contact order: 0.377
1053 TM-score with the reference structure: 0.34
1054 Conformation # 28 read
1057 Conformation # 26 sumsl return code 4
1059 Virtual-chain energies:
1061 EVDW= -4.966943E+01 WEIGHT= 1.352790D+00 (SC-SC)
1062 EVDW2= 4.446479E+01 WEIGHT= 1.593040D+00 (SC-p)
1063 EES= -8.230876E+01 WEIGHT= 7.153400D-01 (p-p)
1064 EVDWPP= -3.845007E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1065 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1066 EBE= -3.848795E+01 WEIGHT= 1.138730D+00 (bending)
1067 ESC= 3.563903E+01 WEIGHT= 1.625800D-01 (SC local)
1068 ETORS= 7.357351E+00 WEIGHT= 1.985990D+00 (torsional)
1069 ETORSD= 2.882131E+00 WEIGHT= 1.570690D+00 (double torsional)
1070 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1071 ECORR4= -5.997400E+01 WEIGHT= 4.288700D-01 (multi-body)
1072 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1073 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1074 EELLO= -4.754856E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1075 ETURN3= 1.339753E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1076 ETURN4= -6.125247E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1077 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1078 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1079 EDIHC= 0.000000E+00 (dihedral angle constraints)
1080 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1081 UCONST= 0.000000E+00 (Constraint energy)
1082 EDFAD= 5.491269-315 (DFA distance energy)
1083 EDFAT= 6.953158-310 (DFA torsion energy)
1084 EDFAN= 6.953158-310 (DFA NCa energy)
1085 EDFAB= 2.650815-317 (DFA Beta energy)
1086 ETOT= -8.643936E+01 (total)
1087 RMS deviation from the reference structure: 3.024
1088 % of native contacts: 41.667
1089 % of nonnative contacts: 77.273
1090 contact order: 0.343
1091 TM-score with the reference structure: 0.26
1092 Conformation # 29 read
1095 Conformation # 22 sumsl return code 4
1097 Virtual-chain energies:
1099 EVDW= -5.095490E+01 WEIGHT= 1.352790D+00 (SC-SC)
1100 EVDW2= 5.112544E+01 WEIGHT= 1.593040D+00 (SC-p)
1101 EES= -1.033653E+02 WEIGHT= 7.153400D-01 (p-p)
1102 EVDWPP= -2.049796E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1103 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1104 EBE= -3.929489E+01 WEIGHT= 1.138730D+00 (bending)
1105 ESC= 3.705659E+01 WEIGHT= 1.625800D-01 (SC local)
1106 ETORS= 1.206529E+01 WEIGHT= 1.985990D+00 (torsional)
1107 ETORSD= -2.136614E+00 WEIGHT= 1.570690D+00 (double torsional)
1108 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1109 ECORR4= -7.597056E+01 WEIGHT= 4.288700D-01 (multi-body)
1110 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1111 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1112 EELLO= -1.526397E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1113 ETURN3= 1.713811E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1114 ETURN4= -1.676851E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1115 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1116 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1117 EDIHC= 0.000000E+00 (dihedral angle constraints)
1118 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1119 UCONST= 0.000000E+00 (Constraint energy)
1120 EDFAD= 5.491269-315 (DFA distance energy)
1121 EDFAT= 6.953158-310 (DFA torsion energy)
1122 EDFAN= 6.953158-310 (DFA NCa energy)
1123 EDFAB= 2.650815-317 (DFA Beta energy)
1124 ETOT= -8.689564E+01 (total)
1125 RMS deviation from the reference structure: 4.042
1126 % of native contacts: 25.000
1127 % of nonnative contacts: 86.364
1128 contact order: 0.355
1129 TM-score with the reference structure: 0.31
1130 Conformation # 30 read
1133 Conformation # 25 sumsl return code 4
1135 Virtual-chain energies:
1137 EVDW= -5.446035E+01 WEIGHT= 1.352790D+00 (SC-SC)
1138 EVDW2= 4.539208E+01 WEIGHT= 1.593040D+00 (SC-p)
1139 EES= -7.761378E+01 WEIGHT= 7.153400D-01 (p-p)
1140 EVDWPP= -4.074882E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1141 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1142 EBE= -3.583179E+01 WEIGHT= 1.138730D+00 (bending)
1143 ESC= 4.395832E+01 WEIGHT= 1.625800D-01 (SC local)
1144 ETORS= 5.728579E+00 WEIGHT= 1.985990D+00 (torsional)
1145 ETORSD= 9.396842E-01 WEIGHT= 1.570690D+00 (double torsional)
1146 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1147 ECORR4= -5.664059E+01 WEIGHT= 4.288700D-01 (multi-body)
1148 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1149 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1150 EELLO= -4.264020E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1151 ETURN3= 1.267235E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1152 ETURN4= -2.607153E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1153 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1154 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1155 EDIHC= 0.000000E+00 (dihedral angle constraints)
1156 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1157 UCONST= 0.000000E+00 (Constraint energy)
1158 EDFAD= 5.491269-315 (DFA distance energy)
1159 EDFAT= 6.953158-310 (DFA torsion energy)
1160 EDFAN= 6.953158-310 (DFA NCa energy)
1161 EDFAB= 2.650815-317 (DFA Beta energy)
1162 ETOT= -8.763985E+01 (total)
1163 RMS deviation from the reference structure: 4.183
1164 % of native contacts: 58.333
1165 % of nonnative contacts: 68.182
1166 contact order: 0.424
1167 TM-score with the reference structure: 0.25
1168 Conformation # 31 read
1171 Conformation # 30 sumsl return code 4
1173 Virtual-chain energies:
1175 EVDW= -5.148083E+01 WEIGHT= 1.352790D+00 (SC-SC)
1176 EVDW2= 4.919638E+01 WEIGHT= 1.593040D+00 (SC-p)
1177 EES= -1.012524E+02 WEIGHT= 7.153400D-01 (p-p)
1178 EVDWPP= -1.945164E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1179 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1180 EBE= -4.129858E+01 WEIGHT= 1.138730D+00 (bending)
1181 ESC= 4.837667E+01 WEIGHT= 1.625800D-01 (SC local)
1182 ETORS= 9.795962E+00 WEIGHT= 1.985990D+00 (torsional)
1183 ETORSD= -1.690453E+00 WEIGHT= 1.570690D+00 (double torsional)
1184 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1185 ECORR4= -7.350380E+01 WEIGHT= 4.288700D-01 (multi-body)
1186 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1187 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1188 EELLO= -1.266637E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1189 ETURN3= 2.042621E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1190 ETURN4= -1.045593E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1191 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1192 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1193 EDIHC= 0.000000E+00 (dihedral angle constraints)
1194 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1195 UCONST= 0.000000E+00 (Constraint energy)
1196 EDFAD= 5.491269-315 (DFA distance energy)
1197 EDFAT= 6.953158-310 (DFA torsion energy)
1198 EDFAN= 6.953158-310 (DFA NCa energy)
1199 EDFAB= 2.650815-317 (DFA Beta energy)
1200 ETOT= -8.623175E+01 (total)
1201 RMS deviation from the reference structure: 4.179
1202 % of native contacts: 41.667
1203 % of nonnative contacts: 76.190
1204 contact order: 0.301
1205 TM-score with the reference structure: 0.29
1206 Conformation # 32 read
1209 Conformation # 27 sumsl return code 4
1211 Virtual-chain energies:
1213 EVDW= -5.566753E+01 WEIGHT= 1.352790D+00 (SC-SC)
1214 EVDW2= 5.517394E+01 WEIGHT= 1.593040D+00 (SC-p)
1215 EES= -1.058416E+02 WEIGHT= 7.153400D-01 (p-p)
1216 EVDWPP= -1.988803E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1217 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1218 EBE= -3.773549E+01 WEIGHT= 1.138730D+00 (bending)
1219 ESC= 4.458700E+01 WEIGHT= 1.625800D-01 (SC local)
1220 ETORS= 1.060499E+01 WEIGHT= 1.985990D+00 (torsional)
1221 ETORSD= 2.037703E+00 WEIGHT= 1.570690D+00 (double torsional)
1222 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1223 ECORR4= -7.367488E+01 WEIGHT= 4.288700D-01 (multi-body)
1224 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1225 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1226 EELLO= 1.339849E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1227 ETURN3= 1.580666E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1228 ETURN4= -4.287983E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1229 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1230 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1231 EDIHC= 0.000000E+00 (dihedral angle constraints)
1232 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1233 UCONST= 0.000000E+00 (Constraint energy)
1234 EDFAD= 5.491269-315 (DFA distance energy)
1235 EDFAT= 6.953158-310 (DFA torsion energy)
1236 EDFAN= 6.953158-310 (DFA NCa energy)
1237 EDFAB= 2.650815-317 (DFA Beta energy)
1238 ETOT= -8.439862E+01 (total)
1239 RMS deviation from the reference structure: 3.767
1240 % of native contacts: 25.000
1241 % of nonnative contacts: 86.364
1242 contact order: 0.353
1243 TM-score with the reference structure: 0.27
1244 Conformation # 33 read
1247 Conformation # 23 sumsl return code 4
1249 Virtual-chain energies:
1251 EVDW= -5.151114E+01 WEIGHT= 1.352790D+00 (SC-SC)
1252 EVDW2= 5.421244E+01 WEIGHT= 1.593040D+00 (SC-p)
1253 EES= -1.191587E+02 WEIGHT= 7.153400D-01 (p-p)
1254 EVDWPP= -1.098248E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1255 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1256 EBE= -4.122926E+01 WEIGHT= 1.138730D+00 (bending)
1257 ESC= 3.963812E+01 WEIGHT= 1.625800D-01 (SC local)
1258 ETORS= 1.456210E+01 WEIGHT= 1.985990D+00 (torsional)
1259 ETORSD= -9.609385E-01 WEIGHT= 1.570690D+00 (double torsional)
1260 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1261 ECORR4= -8.853870E+01 WEIGHT= 4.288700D-01 (multi-body)
1262 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1263 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1264 EELLO= -4.469015E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1265 ETURN3= 2.007029E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1266 ETURN4= 6.260857E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1267 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1268 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1269 EDIHC= 0.000000E+00 (dihedral angle constraints)
1270 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1271 UCONST= 0.000000E+00 (Constraint energy)
1272 EDFAD= 5.491269-315 (DFA distance energy)
1273 EDFAT= 6.953158-310 (DFA torsion energy)
1274 EDFAN= 6.953158-310 (DFA NCa energy)
1275 EDFAB= 2.650815-317 (DFA Beta energy)
1276 ETOT= -8.666835E+01 (total)
1277 RMS deviation from the reference structure: 1.656
1278 % of native contacts: 66.667
1279 % of nonnative contacts: 61.905
1280 contact order: 0.288
1281 TM-score with the reference structure: 0.33
1282 Conformation # 34 read
1285 Conformation # 32 sumsl return code 4
1287 Virtual-chain energies:
1289 EVDW= -5.386177E+01 WEIGHT= 1.352790D+00 (SC-SC)
1290 EVDW2= 4.358034E+01 WEIGHT= 1.593040D+00 (SC-p)
1291 EES= -8.529005E+01 WEIGHT= 7.153400D-01 (p-p)
1292 EVDWPP= -1.630550E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1293 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1294 EBE= -3.952087E+01 WEIGHT= 1.138730D+00 (bending)
1295 ESC= 4.102800E+01 WEIGHT= 1.625800D-01 (SC local)
1296 ETORS= 1.013799E+01 WEIGHT= 1.985990D+00 (torsional)
1297 ETORSD= -8.097761E-01 WEIGHT= 1.570690D+00 (double torsional)
1298 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1299 ECORR4= -6.343370E+01 WEIGHT= 4.288700D-01 (multi-body)
1300 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1301 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1302 EELLO= -3.398494E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1303 ETURN3= 1.752346E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1304 ETURN4= -3.399737E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1305 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1306 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1307 EDIHC= 0.000000E+00 (dihedral angle constraints)
1308 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1309 UCONST= 0.000000E+00 (Constraint energy)
1310 EDFAD= 5.491269-315 (DFA distance energy)
1311 EDFAT= 6.953158-310 (DFA torsion energy)
1312 EDFAN= 6.953158-310 (DFA NCa energy)
1313 EDFAB= 2.650815-317 (DFA Beta energy)
1314 ETOT= -8.621067E+01 (total)
1315 RMS deviation from the reference structure: 4.884
1316 % of native contacts: 33.333
1317 % of nonnative contacts: 80.000
1318 contact order: 0.307
1319 TM-score with the reference structure: 0.30
1320 Conformation # 35 read
1323 Conformation # 31 sumsl return code 4
1325 Virtual-chain energies:
1327 EVDW= -4.757403E+01 WEIGHT= 1.352790D+00 (SC-SC)
1328 EVDW2= 3.776098E+01 WEIGHT= 1.593040D+00 (SC-p)
1329 EES= -7.490258E+01 WEIGHT= 7.153400D-01 (p-p)
1330 EVDWPP= -2.951580E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1331 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1332 EBE= -4.045533E+01 WEIGHT= 1.138730D+00 (bending)
1333 ESC= 3.454962E+01 WEIGHT= 1.625800D-01 (SC local)
1334 ETORS= 8.451787E+00 WEIGHT= 1.985990D+00 (torsional)
1335 ETORSD= -1.248463E+00 WEIGHT= 1.570690D+00 (double torsional)
1336 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1337 ECORR4= -5.417918E+01 WEIGHT= 4.288700D-01 (multi-body)
1338 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1339 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1340 EELLO= 1.548068E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1341 ETURN3= 1.704547E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1342 ETURN4= -4.132449E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1343 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1344 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1345 EDIHC= 0.000000E+00 (dihedral angle constraints)
1346 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1347 UCONST= 0.000000E+00 (Constraint energy)
1348 EDFAD= 5.491269-315 (DFA distance energy)
1349 EDFAT= 6.953158-310 (DFA torsion energy)
1350 EDFAN= 6.953158-310 (DFA NCa energy)
1351 EDFAB= 2.650815-317 (DFA Beta energy)
1352 ETOT= -8.373142E+01 (total)
1353 RMS deviation from the reference structure: 3.878
1354 % of native contacts: 33.333
1355 % of nonnative contacts: 75.000
1356 contact order: 0.298
1357 TM-score with the reference structure: 0.32
1358 Conformation # 36 read
1361 Conformation # 33 sumsl return code 4
1363 Virtual-chain energies:
1365 EVDW= -5.579419E+01 WEIGHT= 1.352790D+00 (SC-SC)
1366 EVDW2= 4.656001E+01 WEIGHT= 1.593040D+00 (SC-p)
1367 EES= -9.320710E+01 WEIGHT= 7.153400D-01 (p-p)
1368 EVDWPP= -3.039375E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1369 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1370 EBE= -3.966957E+01 WEIGHT= 1.138730D+00 (bending)
1371 ESC= 5.203819E+01 WEIGHT= 1.625800D-01 (SC local)
1372 ETORS= 1.061114E+01 WEIGHT= 1.985990D+00 (torsional)
1373 ETORSD= 9.059798E-01 WEIGHT= 1.570690D+00 (double torsional)
1374 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1375 ECORR4= -6.987199E+01 WEIGHT= 4.288700D-01 (multi-body)
1376 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1377 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1378 EELLO= 3.920321E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1379 ETURN3= 1.865457E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1380 ETURN4= -3.243262E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1381 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1382 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1383 EDIHC= 0.000000E+00 (dihedral angle constraints)
1384 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1385 UCONST= 0.000000E+00 (Constraint energy)
1386 EDFAD= 5.491269-315 (DFA distance energy)
1387 EDFAT= 6.953158-310 (DFA torsion energy)
1388 EDFAN= 6.953158-310 (DFA NCa energy)
1389 EDFAB= 2.650815-317 (DFA Beta energy)
1390 ETOT= -8.622940E+01 (total)
1391 RMS deviation from the reference structure: 2.901
1392 % of native contacts: 41.667
1393 % of nonnative contacts: 76.190
1394 contact order: 0.364
1395 TM-score with the reference structure: 0.28
1396 Conformation # 37 read
1399 Conformation # 35 sumsl return code 4
1401 Virtual-chain energies:
1403 EVDW= -5.175155E+01 WEIGHT= 1.352790D+00 (SC-SC)
1404 EVDW2= 4.468048E+01 WEIGHT= 1.593040D+00 (SC-p)
1405 EES= -8.926762E+01 WEIGHT= 7.153400D-01 (p-p)
1406 EVDWPP= -1.161758E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1407 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1408 EBE= -4.025622E+01 WEIGHT= 1.138730D+00 (bending)
1409 ESC= 3.330230E+01 WEIGHT= 1.625800D-01 (SC local)
1410 ETORS= 1.033048E+01 WEIGHT= 1.985990D+00 (torsional)
1411 ETORSD= -1.314638E+00 WEIGHT= 1.570690D+00 (double torsional)
1412 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1413 ECORR4= -6.617081E+01 WEIGHT= 4.288700D-01 (multi-body)
1414 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1415 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1416 EELLO= 8.525861E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1417 ETURN3= 1.768285E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1418 ETURN4= -2.785642E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1419 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1420 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1421 EDIHC= 0.000000E+00 (dihedral angle constraints)
1422 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1423 UCONST= 0.000000E+00 (Constraint energy)
1424 EDFAD= 5.491269-315 (DFA distance energy)
1425 EDFAT= 6.953158-310 (DFA torsion energy)
1426 EDFAN= 6.953158-310 (DFA NCa energy)
1427 EDFAB= 2.650815-317 (DFA Beta energy)
1428 ETOT= -8.623627E+01 (total)
1429 RMS deviation from the reference structure: 4.731
1430 % of native contacts: 25.000
1431 % of nonnative contacts: 83.333
1432 contact order: 0.402
1433 TM-score with the reference structure: 0.27
1434 Conformation # 38 read
1437 Conformation # 29 sumsl return code 4
1439 Virtual-chain energies:
1441 EVDW= -5.462649E+01 WEIGHT= 1.352790D+00 (SC-SC)
1442 EVDW2= 4.339980E+01 WEIGHT= 1.593040D+00 (SC-p)
1443 EES= -7.761039E+01 WEIGHT= 7.153400D-01 (p-p)
1444 EVDWPP= -3.731447E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1445 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1446 EBE= -3.514950E+01 WEIGHT= 1.138730D+00 (bending)
1447 ESC= 3.535474E+01 WEIGHT= 1.625800D-01 (SC local)
1448 ETORS= 9.107594E+00 WEIGHT= 1.985990D+00 (torsional)
1449 ETORSD= -2.008088E+00 WEIGHT= 1.570690D+00 (double torsional)
1450 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1451 ECORR4= -5.840195E+01 WEIGHT= 4.288700D-01 (multi-body)
1452 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1453 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1454 EELLO= -3.447846E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1455 ETURN3= 1.412319E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1456 ETURN4= -1.604587E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1457 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1458 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1459 EDIHC= 0.000000E+00 (dihedral angle constraints)
1460 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1461 UCONST= 0.000000E+00 (Constraint energy)
1462 EDFAD= 5.491269-315 (DFA distance energy)
1463 EDFAT= 6.953158-310 (DFA torsion energy)
1464 EDFAN= 6.953158-310 (DFA NCa energy)
1465 EDFAB= 2.650815-317 (DFA Beta energy)
1466 ETOT= -8.574281E+01 (total)
1467 RMS deviation from the reference structure: 3.699
1468 % of native contacts: 50.000
1469 % of nonnative contacts: 72.727
1470 contact order: 0.370
1471 TM-score with the reference structure: 0.21
1472 Conformation # 39 read
1475 Conformation # 38 sumsl return code 4
1477 Virtual-chain energies:
1479 EVDW= -5.287387E+01 WEIGHT= 1.352790D+00 (SC-SC)
1480 EVDW2= 4.673019E+01 WEIGHT= 1.593040D+00 (SC-p)
1481 EES= -8.718779E+01 WEIGHT= 7.153400D-01 (p-p)
1482 EVDWPP= -1.712903E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1483 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1484 EBE= -3.720143E+01 WEIGHT= 1.138730D+00 (bending)
1485 ESC= 4.168521E+01 WEIGHT= 1.625800D-01 (SC local)
1486 ETORS= 5.727931E+00 WEIGHT= 1.985990D+00 (torsional)
1487 ETORSD= 3.034983E-01 WEIGHT= 1.570690D+00 (double torsional)
1488 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1489 ECORR4= -6.291846E+01 WEIGHT= 4.288700D-01 (multi-body)
1490 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1491 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1492 EELLO= -4.820940E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1493 ETURN3= 1.688590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1494 ETURN4= -4.252842E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1495 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1496 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1497 EDIHC= 0.000000E+00 (dihedral angle constraints)
1498 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1499 UCONST= 0.000000E+00 (Constraint energy)
1500 EDFAD= 5.491269-315 (DFA distance energy)
1501 EDFAT= 6.953158-310 (DFA torsion energy)
1502 EDFAN= 6.953158-310 (DFA NCa energy)
1503 EDFAB= 2.650815-317 (DFA Beta energy)
1504 ETOT= -8.721708E+01 (total)
1505 RMS deviation from the reference structure: 6.030
1506 % of native contacts: 33.333
1507 % of nonnative contacts: 81.818
1508 contact order: 0.364
1509 TM-score with the reference structure: 0.27
1510 Conformation # 40 read
1513 Conformation # 39 sumsl return code 4
1515 Virtual-chain energies:
1517 EVDW= -5.120313E+01 WEIGHT= 1.352790D+00 (SC-SC)
1518 EVDW2= 5.194518E+01 WEIGHT= 1.593040D+00 (SC-p)
1519 EES= -1.136502E+02 WEIGHT= 7.153400D-01 (p-p)
1520 EVDWPP= -1.441422E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1521 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1522 EBE= -4.117799E+01 WEIGHT= 1.138730D+00 (bending)
1523 ESC= 4.161658E+01 WEIGHT= 1.625800D-01 (SC local)
1524 ETORS= 1.466327E+01 WEIGHT= 1.985990D+00 (torsional)
1525 ETORSD= -5.137958E-01 WEIGHT= 1.570690D+00 (double torsional)
1526 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1527 ECORR4= -8.379204E+01 WEIGHT= 4.288700D-01 (multi-body)
1528 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1529 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1530 EELLO= -3.118051E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1531 ETURN3= 2.040635E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1532 ETURN4= -1.352274E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1533 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1534 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1535 EDIHC= 0.000000E+00 (dihedral angle constraints)
1536 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1537 UCONST= 0.000000E+00 (Constraint energy)
1538 EDFAD= 5.491269-315 (DFA distance energy)
1539 EDFAT= 6.953158-310 (DFA torsion energy)
1540 EDFAN= 6.953158-310 (DFA NCa energy)
1541 EDFAB= 2.650815-317 (DFA Beta energy)
1542 ETOT= -8.371590E+01 (total)
1543 RMS deviation from the reference structure: 2.343
1544 % of native contacts: 50.000
1545 % of nonnative contacts: 68.421
1546 contact order: 0.292
1547 TM-score with the reference structure: 0.32
1548 Conformation # 41 read
1551 Conformation # 40 sumsl return code 4
1553 Virtual-chain energies:
1555 EVDW= -5.514516E+01 WEIGHT= 1.352790D+00 (SC-SC)
1556 EVDW2= 5.303892E+01 WEIGHT= 1.593040D+00 (SC-p)
1557 EES= -1.042350E+02 WEIGHT= 7.153400D-01 (p-p)
1558 EVDWPP= -2.387461E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1559 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1560 EBE= -3.684418E+01 WEIGHT= 1.138730D+00 (bending)
1561 ESC= 3.700316E+01 WEIGHT= 1.625800D-01 (SC local)
1562 ETORS= 9.499292E+00 WEIGHT= 1.985990D+00 (torsional)
1563 ETORSD= -3.122060E-01 WEIGHT= 1.570690D+00 (double torsional)
1564 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1565 ECORR4= -7.881446E+01 WEIGHT= 4.288700D-01 (multi-body)
1566 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1567 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1568 EELLO= -5.862802E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1569 ETURN3= 1.834515E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1570 ETURN4= -2.414443E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1571 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1572 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1573 EDIHC= 0.000000E+00 (dihedral angle constraints)
1574 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1575 UCONST= 0.000000E+00 (Constraint energy)
1576 EDFAD= 5.491269-315 (DFA distance energy)
1577 EDFAT= 6.953158-310 (DFA torsion energy)
1578 EDFAN= 6.953158-310 (DFA NCa energy)
1579 EDFAB= 2.650815-317 (DFA Beta energy)
1580 ETOT= -9.033751E+01 (total)
1581 RMS deviation from the reference structure: 2.466
1582 % of native contacts: 50.000
1583 % of nonnative contacts: 73.913
1584 contact order: 0.356
1585 TM-score with the reference structure: 0.29
1586 Conformation # 42 read
1589 Conformation # 41 sumsl return code 4
1591 Virtual-chain energies:
1593 EVDW= -5.493930E+01 WEIGHT= 1.352790D+00 (SC-SC)
1594 EVDW2= 5.334427E+01 WEIGHT= 1.593040D+00 (SC-p)
1595 EES= -1.040855E+02 WEIGHT= 7.153400D-01 (p-p)
1596 EVDWPP= -2.753694E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1597 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1598 EBE= -3.938477E+01 WEIGHT= 1.138730D+00 (bending)
1599 ESC= 4.022215E+01 WEIGHT= 1.625800D-01 (SC local)
1600 ETORS= 1.009965E+01 WEIGHT= 1.985990D+00 (torsional)
1601 ETORSD= 1.641297E+00 WEIGHT= 1.570690D+00 (double torsional)
1602 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1603 ECORR4= -7.797576E+01 WEIGHT= 4.288700D-01 (multi-body)
1604 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1605 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1606 EELLO= -5.804926E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1607 ETURN3= 1.895956E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1608 ETURN4= -3.615353E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1609 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1610 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1611 EDIHC= 0.000000E+00 (dihedral angle constraints)
1612 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1613 UCONST= 0.000000E+00 (Constraint energy)
1614 EDFAD= 5.491269-315 (DFA distance energy)
1615 EDFAT= 6.953158-310 (DFA torsion energy)
1616 EDFAN= 6.953158-310 (DFA NCa energy)
1617 EDFAB= 2.650815-317 (DFA Beta energy)
1618 ETOT= -8.738089E+01 (total)
1619 RMS deviation from the reference structure: 1.785
1620 % of native contacts: 50.000
1621 % of nonnative contacts: 72.727
1622 contact order: 0.316
1623 TM-score with the reference structure: 0.31
1624 Conformation # 43 read
1627 Conformation # 36 sumsl return code 4
1629 Virtual-chain energies:
1631 EVDW= -5.201704E+01 WEIGHT= 1.352790D+00 (SC-SC)
1632 EVDW2= 4.263827E+01 WEIGHT= 1.593040D+00 (SC-p)
1633 EES= -8.824097E+01 WEIGHT= 7.153400D-01 (p-p)
1634 EVDWPP= -1.501478E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1635 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1636 EBE= -4.052596E+01 WEIGHT= 1.138730D+00 (bending)
1637 ESC= 3.928588E+01 WEIGHT= 1.625800D-01 (SC local)
1638 ETORS= 7.712220E+00 WEIGHT= 1.985990D+00 (torsional)
1639 ETORSD= -2.113755E-01 WEIGHT= 1.570690D+00 (double torsional)
1640 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1641 ECORR4= -6.152853E+01 WEIGHT= 4.288700D-01 (multi-body)
1642 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1643 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1644 EELLO= 1.512091E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1645 ETURN3= 1.890564E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1646 ETURN4= -2.896462E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1647 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1648 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1649 EDIHC= 0.000000E+00 (dihedral angle constraints)
1650 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1651 UCONST= 0.000000E+00 (Constraint energy)
1652 EDFAD= 5.491269-315 (DFA distance energy)
1653 EDFAT= 6.953158-310 (DFA torsion energy)
1654 EDFAN= 6.953158-310 (DFA NCa energy)
1655 EDFAB= 2.650815-317 (DFA Beta energy)
1656 ETOT= -8.821554E+01 (total)
1657 RMS deviation from the reference structure: 4.369
1658 % of native contacts: 8.333
1659 % of nonnative contacts: 93.333
1660 contact order: 0.333
1661 TM-score with the reference structure: 0.30
1662 Conformation # 44 read
1665 Conformation # 42 sumsl return code 4
1667 Virtual-chain energies:
1669 EVDW= -5.435531E+01 WEIGHT= 1.352790D+00 (SC-SC)
1670 EVDW2= 5.158663E+01 WEIGHT= 1.593040D+00 (SC-p)
1671 EES= -9.701329E+01 WEIGHT= 7.153400D-01 (p-p)
1672 EVDWPP= -3.455228E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1673 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1674 EBE= -3.759777E+01 WEIGHT= 1.138730D+00 (bending)
1675 ESC= 5.178419E+01 WEIGHT= 1.625800D-01 (SC local)
1676 ETORS= 1.130353E+01 WEIGHT= 1.985990D+00 (torsional)
1677 ETORSD= -2.789281E+00 WEIGHT= 1.570690D+00 (double torsional)
1678 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1679 ECORR4= -7.415274E+01 WEIGHT= 4.288700D-01 (multi-body)
1680 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1681 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1682 EELLO= -5.109289E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1683 ETURN3= 1.630242E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1684 ETURN4= 7.205578E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1685 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1686 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1687 EDIHC= 0.000000E+00 (dihedral angle constraints)
1688 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1689 UCONST= 0.000000E+00 (Constraint energy)
1690 EDFAD= 5.491269-315 (DFA distance energy)
1691 EDFAT= 6.953158-310 (DFA torsion energy)
1692 EDFAN= 6.953158-310 (DFA NCa energy)
1693 EDFAB= 2.650815-317 (DFA Beta energy)
1694 ETOT= -8.564345E+01 (total)
1695 RMS deviation from the reference structure: 2.997
1696 % of native contacts: 58.333
1697 % of nonnative contacts: 69.565
1698 contact order: 0.338
1699 TM-score with the reference structure: 0.29
1700 Conformation # 45 read
1703 Conformation # 37 sumsl return code 4
1705 Virtual-chain energies:
1707 EVDW= -5.106634E+01 WEIGHT= 1.352790D+00 (SC-SC)
1708 EVDW2= 3.947319E+01 WEIGHT= 1.593040D+00 (SC-p)
1709 EES= -7.446918E+01 WEIGHT= 7.153400D-01 (p-p)
1710 EVDWPP= -2.826681E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1711 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1712 EBE= -4.011402E+01 WEIGHT= 1.138730D+00 (bending)
1713 ESC= 3.411674E+01 WEIGHT= 1.625800D-01 (SC local)
1714 ETORS= 8.269172E+00 WEIGHT= 1.985990D+00 (torsional)
1715 ETORSD= -2.987229E+00 WEIGHT= 1.570690D+00 (double torsional)
1716 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1717 ECORR4= -5.432415E+01 WEIGHT= 4.288700D-01 (multi-body)
1718 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1719 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1720 EELLO= -4.298715E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1721 ETURN3= 1.598204E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1722 ETURN4= 1.192934E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1723 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1724 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1725 EDIHC= 0.000000E+00 (dihedral angle constraints)
1726 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1727 UCONST= 0.000000E+00 (Constraint energy)
1728 EDFAD= 5.491269-315 (DFA distance energy)
1729 EDFAT= 6.953158-310 (DFA torsion energy)
1730 EDFAN= 6.953158-310 (DFA NCa energy)
1731 EDFAB= 2.650815-317 (DFA Beta energy)
1732 ETOT= -8.669815E+01 (total)
1733 RMS deviation from the reference structure: 4.583
1734 % of native contacts: 33.333
1735 % of nonnative contacts: 77.778
1736 contact order: 0.371
1737 TM-score with the reference structure: 0.34
1738 Conformation # 46 read
1741 Conformation # 28 sumsl return code 4
1743 Virtual-chain energies:
1745 EVDW= -5.277345E+01 WEIGHT= 1.352790D+00 (SC-SC)
1746 EVDW2= 3.881418E+01 WEIGHT= 1.593040D+00 (SC-p)
1747 EES= -7.118778E+01 WEIGHT= 7.153400D-01 (p-p)
1748 EVDWPP= -2.463355E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1749 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1750 EBE= -3.740744E+01 WEIGHT= 1.138730D+00 (bending)
1751 ESC= 4.577051E+01 WEIGHT= 1.625800D-01 (SC local)
1752 ETORS= 7.127622E+00 WEIGHT= 1.985990D+00 (torsional)
1753 ETORSD= -2.755303E+00 WEIGHT= 1.570690D+00 (double torsional)
1754 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1755 ECORR4= -5.370857E+01 WEIGHT= 4.288700D-01 (multi-body)
1756 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1757 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1758 EELLO= 5.273519E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1759 ETURN3= 1.502927E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1760 ETURN4= 8.126764E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
1761 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1762 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1763 EDIHC= 0.000000E+00 (dihedral angle constraints)
1764 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1765 UCONST= 0.000000E+00 (Constraint energy)
1766 EDFAD= 5.491269-315 (DFA distance energy)
1767 EDFAT= 6.953158-310 (DFA torsion energy)
1768 EDFAN= 6.953158-310 (DFA NCa energy)
1769 EDFAB= 2.650815-317 (DFA Beta energy)
1770 ETOT= -8.614926E+01 (total)
1771 RMS deviation from the reference structure: 4.957
1772 % of native contacts: 33.333
1773 % of nonnative contacts: 78.947
1774 contact order: 0.411
1775 TM-score with the reference structure: 0.29
1776 Conformation # 47 read
1779 Conformation # 45 sumsl return code 4
1781 Virtual-chain energies:
1783 EVDW= -5.021897E+01 WEIGHT= 1.352790D+00 (SC-SC)
1784 EVDW2= 5.322494E+01 WEIGHT= 1.593040D+00 (SC-p)
1785 EES= -1.169029E+02 WEIGHT= 7.153400D-01 (p-p)
1786 EVDWPP= -1.020991E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1787 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1788 EBE= -4.196052E+01 WEIGHT= 1.138730D+00 (bending)
1789 ESC= 3.899855E+01 WEIGHT= 1.625800D-01 (SC local)
1790 ETORS= 1.364603E+01 WEIGHT= 1.985990D+00 (torsional)
1791 ETORSD= -4.346978E-01 WEIGHT= 1.570690D+00 (double torsional)
1792 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1793 ECORR4= -8.405317E+01 WEIGHT= 4.288700D-01 (multi-body)
1794 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1795 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1796 EELLO= -1.593220E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1797 ETURN3= 2.015378E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1798 ETURN4= -6.595084E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1799 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1800 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1801 EDIHC= 0.000000E+00 (dihedral angle constraints)
1802 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1803 UCONST= 0.000000E+00 (Constraint energy)
1804 EDFAD= 5.491269-315 (DFA distance energy)
1805 EDFAT= 6.953158-310 (DFA torsion energy)
1806 EDFAN= 6.953158-310 (DFA NCa energy)
1807 EDFAB= 2.650815-317 (DFA Beta energy)
1808 ETOT= -8.569208E+01 (total)
1809 RMS deviation from the reference structure: 3.041
1810 % of native contacts: 41.667
1811 % of nonnative contacts: 72.222
1812 contact order: 0.293
1813 TM-score with the reference structure: 0.30
1814 Conformation # 48 read
1817 Conformation # 43 sumsl return code 4
1819 Virtual-chain energies:
1821 EVDW= -5.140411E+01 WEIGHT= 1.352790D+00 (SC-SC)
1822 EVDW2= 4.674911E+01 WEIGHT= 1.593040D+00 (SC-p)
1823 EES= -9.712785E+01 WEIGHT= 7.153400D-01 (p-p)
1824 EVDWPP= -2.173440E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1825 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1826 EBE= -3.858754E+01 WEIGHT= 1.138730D+00 (bending)
1827 ESC= 3.809296E+01 WEIGHT= 1.625800D-01 (SC local)
1828 ETORS= 1.223522E+01 WEIGHT= 1.985990D+00 (torsional)
1829 ETORSD= -1.164073E+00 WEIGHT= 1.570690D+00 (double torsional)
1830 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1831 ECORR4= -7.163596E+01 WEIGHT= 4.288700D-01 (multi-body)
1832 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1833 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1834 EELLO= -1.643892E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1835 ETURN3= 1.696658E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1836 ETURN4= -3.347090E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1837 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1838 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1839 EDIHC= 0.000000E+00 (dihedral angle constraints)
1840 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1841 UCONST= 0.000000E+00 (Constraint energy)
1842 EDFAD= 5.491269-315 (DFA distance energy)
1843 EDFAT= 6.953158-310 (DFA torsion energy)
1844 EDFAN= 6.953158-310 (DFA NCa energy)
1845 EDFAB= 2.650815-317 (DFA Beta energy)
1846 ETOT= -8.687022E+01 (total)
1847 RMS deviation from the reference structure: 3.524
1848 % of native contacts: 16.667
1849 % of nonnative contacts: 88.889
1850 contact order: 0.323
1851 TM-score with the reference structure: 0.26
1852 Conformation # 49 read
1855 Conformation # 48 sumsl return code 4
1857 Virtual-chain energies:
1859 EVDW= -5.307913E+01 WEIGHT= 1.352790D+00 (SC-SC)
1860 EVDW2= 4.607981E+01 WEIGHT= 1.593040D+00 (SC-p)
1861 EES= -8.970217E+01 WEIGHT= 7.153400D-01 (p-p)
1862 EVDWPP= -2.999373E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1863 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1864 EBE= -3.575311E+01 WEIGHT= 1.138730D+00 (bending)
1865 ESC= 4.353289E+01 WEIGHT= 1.625800D-01 (SC local)
1866 ETORS= 7.550874E+00 WEIGHT= 1.985990D+00 (torsional)
1867 ETORSD= 3.550561E-01 WEIGHT= 1.570690D+00 (double torsional)
1868 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1869 ECORR4= -6.830007E+01 WEIGHT= 4.288700D-01 (multi-body)
1870 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1871 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1872 EELLO= -4.628660E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1873 ETURN3= 1.618282E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1874 ETURN4= -1.376640E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1875 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1876 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1877 EDIHC= 0.000000E+00 (dihedral angle constraints)
1878 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1879 UCONST= 0.000000E+00 (Constraint energy)
1880 EDFAD= 5.491269-315 (DFA distance energy)
1881 EDFAT= 6.953158-310 (DFA torsion energy)
1882 EDFAN= 6.953158-310 (DFA NCa energy)
1883 EDFAB= 2.650815-317 (DFA Beta energy)
1884 ETOT= -8.769988E+01 (total)
1885 RMS deviation from the reference structure: 3.343
1886 % of native contacts: 66.667
1887 % of nonnative contacts: 63.636
1888 contact order: 0.289
1889 TM-score with the reference structure: 0.31
1890 Conformation # 50 read
1893 Conformation # 49 sumsl return code 4
1895 Virtual-chain energies:
1897 EVDW= -5.336219E+01 WEIGHT= 1.352790D+00 (SC-SC)
1898 EVDW2= 3.753434E+01 WEIGHT= 1.593040D+00 (SC-p)
1899 EES= -6.708992E+01 WEIGHT= 7.153400D-01 (p-p)
1900 EVDWPP= -2.305965E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1901 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1902 EBE= -3.616040E+01 WEIGHT= 1.138730D+00 (bending)
1903 ESC= 4.552006E+01 WEIGHT= 1.625800D-01 (SC local)
1904 ETORS= 7.996487E+00 WEIGHT= 1.985990D+00 (torsional)
1905 ETORSD= -1.079296E+00 WEIGHT= 1.570690D+00 (double torsional)
1906 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1907 ECORR4= -4.616065E+01 WEIGHT= 4.288700D-01 (multi-body)
1908 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1909 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1910 EELLO= -2.521817E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1911 ETURN3= 1.194346E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1912 ETURN4= -1.693277E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1913 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1914 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1915 EDIHC= 0.000000E+00 (dihedral angle constraints)
1916 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1917 UCONST= 0.000000E+00 (Constraint energy)
1918 EDFAD= 5.491269-315 (DFA distance energy)
1919 EDFAT= 6.953158-310 (DFA torsion energy)
1920 EDFAN= 6.953158-310 (DFA NCa energy)
1921 EDFAB= 2.650815-317 (DFA Beta energy)
1922 ETOT= -8.377046E+01 (total)
1923 RMS deviation from the reference structure: 4.936
1924 % of native contacts: 16.667
1925 % of nonnative contacts: 89.474
1926 contact order: 0.404
1927 TM-score with the reference structure: 0.25
1928 Conformation # 51 read
1931 Conformation # 50 sumsl return code 4
1933 Virtual-chain energies:
1935 EVDW= -5.018245E+01 WEIGHT= 1.352790D+00 (SC-SC)
1936 EVDW2= 5.688365E+01 WEIGHT= 1.593040D+00 (SC-p)
1937 EES= -1.133675E+02 WEIGHT= 7.153400D-01 (p-p)
1938 EVDWPP= -2.448294E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1939 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1940 EBE= -3.750686E+01 WEIGHT= 1.138730D+00 (bending)
1941 ESC= 3.082606E+01 WEIGHT= 1.625800D-01 (SC local)
1942 ETORS= 9.188676E+00 WEIGHT= 1.985990D+00 (torsional)
1943 ETORSD= -2.040964E-01 WEIGHT= 1.570690D+00 (double torsional)
1944 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1945 ECORR4= -7.981068E+01 WEIGHT= 4.288700D-01 (multi-body)
1946 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1947 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1948 EELLO= -3.948025E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1949 ETURN3= 1.956677E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1950 ETURN4= -3.539262E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1951 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1952 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1953 EDIHC= 0.000000E+00 (dihedral angle constraints)
1954 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1955 UCONST= 0.000000E+00 (Constraint energy)
1956 EDFAD= 5.491269-315 (DFA distance energy)
1957 EDFAT= 6.953158-310 (DFA torsion energy)
1958 EDFAN= 6.953158-310 (DFA NCa energy)
1959 EDFAB= 2.650815-317 (DFA Beta energy)
1960 ETOT= -8.511121E+01 (total)
1961 RMS deviation from the reference structure: 4.210
1962 % of native contacts: 41.667
1963 % of nonnative contacts: 77.273
1964 contact order: 0.345
1965 TM-score with the reference structure: 0.28
1966 Conformation # 52 read
1969 Conformation # 51 sumsl return code 4
1971 Virtual-chain energies:
1973 EVDW= -5.201463E+01 WEIGHT= 1.352790D+00 (SC-SC)
1974 EVDW2= 4.743827E+01 WEIGHT= 1.593040D+00 (SC-p)
1975 EES= -8.951823E+01 WEIGHT= 7.153400D-01 (p-p)
1976 EVDWPP= -2.956350E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1977 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1978 EBE= -4.210352E+01 WEIGHT= 1.138730D+00 (bending)
1979 ESC= 3.136984E+01 WEIGHT= 1.625800D-01 (SC local)
1980 ETORS= 9.460472E+00 WEIGHT= 1.985990D+00 (torsional)
1981 ETORSD= -1.146980E+00 WEIGHT= 1.570690D+00 (double torsional)
1982 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1983 ECORR4= -6.428962E+01 WEIGHT= 4.288700D-01 (multi-body)
1984 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1985 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1986 EELLO= -2.826255E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1987 ETURN3= 1.725980E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1988 ETURN4= 1.159555E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1989 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1990 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1991 EDIHC= 0.000000E+00 (dihedral angle constraints)
1992 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1993 UCONST= 0.000000E+00 (Constraint energy)
1994 EDFAD= 5.491269-315 (DFA distance energy)
1995 EDFAT= 6.953158-310 (DFA torsion energy)
1996 EDFAN= 6.953158-310 (DFA NCa energy)
1997 EDFAB= 2.650815-317 (DFA Beta energy)
1998 ETOT= -8.687626E+01 (total)
1999 RMS deviation from the reference structure: 4.608
2000 % of native contacts: 25.000
2001 % of nonnative contacts: 85.714
2002 contact order: 0.383
2003 TM-score with the reference structure: 0.30
2004 Conformation # 53 read
2007 Conformation # 46 sumsl return code 4
2009 Virtual-chain energies:
2011 EVDW= -5.154839E+01 WEIGHT= 1.352790D+00 (SC-SC)
2012 EVDW2= 4.191969E+01 WEIGHT= 1.593040D+00 (SC-p)
2013 EES= -8.798772E+01 WEIGHT= 7.153400D-01 (p-p)
2014 EVDWPP= -1.459589E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2015 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2016 EBE= -3.902199E+01 WEIGHT= 1.138730D+00 (bending)
2017 ESC= 3.865102E+01 WEIGHT= 1.625800D-01 (SC local)
2018 ETORS= 7.698028E+00 WEIGHT= 1.985990D+00 (torsional)
2019 ETORSD= -1.822699E-01 WEIGHT= 1.570690D+00 (double torsional)
2020 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2021 ECORR4= -6.142248E+01 WEIGHT= 4.288700D-01 (multi-body)
2022 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2023 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2024 EELLO= 1.636060E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2025 ETURN3= 1.890536E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2026 ETURN4= -2.905968E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2027 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2028 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2029 EDIHC= 0.000000E+00 (dihedral angle constraints)
2030 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2031 UCONST= 0.000000E+00 (Constraint energy)
2032 EDFAD= 5.491269-315 (DFA distance energy)
2033 EDFAT= 6.953158-310 (DFA torsion energy)
2034 EDFAN= 6.953158-310 (DFA NCa energy)
2035 EDFAB= 2.650815-317 (DFA Beta energy)
2036 ETOT= -8.681196E+01 (total)
2037 RMS deviation from the reference structure: 4.358
2038 % of native contacts: 8.333
2039 % of nonnative contacts: 93.333
2040 contact order: 0.333
2041 TM-score with the reference structure: 0.30
2042 Conformation # 54 read
2045 Conformation # 52 sumsl return code 4
2047 Virtual-chain energies:
2049 EVDW= -5.374343E+01 WEIGHT= 1.352790D+00 (SC-SC)
2050 EVDW2= 3.076389E+01 WEIGHT= 1.593040D+00 (SC-p)
2051 EES= -4.007468E+01 WEIGHT= 7.153400D-01 (p-p)
2052 EVDWPP= -3.555488E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2053 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2054 EBE= -3.854066E+01 WEIGHT= 1.138730D+00 (bending)
2055 ESC= 3.101077E+01 WEIGHT= 1.625800D-01 (SC local)
2056 ETORS= 4.361876E+00 WEIGHT= 1.985990D+00 (torsional)
2057 ETORSD= -1.136974E+00 WEIGHT= 1.570690D+00 (double torsional)
2058 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2059 ECORR4= -2.627170E+01 WEIGHT= 4.288700D-01 (multi-body)
2060 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2061 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2062 EELLO= 1.328577E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2063 ETURN3= 7.859060E+00 WEIGHT= 1.687220D+00 (turns, 3rd order)
2064 ETURN4= 1.249852E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2065 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2066 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2067 EDIHC= 0.000000E+00 (dihedral angle constraints)
2068 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2069 UCONST= 0.000000E+00 (Constraint energy)
2070 EDFAD= 5.491269-315 (DFA distance energy)
2071 EDFAT= 6.953158-310 (DFA torsion energy)
2072 EDFAN= 6.953158-310 (DFA NCa energy)
2073 EDFAB= 2.650815-317 (DFA Beta energy)
2074 ETOT= -8.608564E+01 (total)
2075 RMS deviation from the reference structure: 5.439
2076 % of native contacts: 33.333
2077 % of nonnative contacts: 76.471
2078 contact order: 0.377
2079 TM-score with the reference structure: 0.20
2080 Conformation # 55 read
2083 Conformation # 54 sumsl return code 4
2085 Virtual-chain energies:
2087 EVDW= -5.502204E+01 WEIGHT= 1.352790D+00 (SC-SC)
2088 EVDW2= 4.995068E+01 WEIGHT= 1.593040D+00 (SC-p)
2089 EES= -8.998450E+01 WEIGHT= 7.153400D-01 (p-p)
2090 EVDWPP= -3.419177E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2091 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2092 EBE= -3.874727E+01 WEIGHT= 1.138730D+00 (bending)
2093 ESC= 4.916947E+01 WEIGHT= 1.625800D-01 (SC local)
2094 ETORS= 1.124203E+01 WEIGHT= 1.985990D+00 (torsional)
2095 ETORSD= -3.679689E+00 WEIGHT= 1.570690D+00 (double torsional)
2096 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2097 ECORR4= -6.658062E+01 WEIGHT= 4.288700D-01 (multi-body)
2098 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2099 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2100 EELLO= -8.262522E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
2101 ETURN3= 1.592054E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2102 ETURN4= 3.803124E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2103 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2104 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2105 EDIHC= 0.000000E+00 (dihedral angle constraints)
2106 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2107 UCONST= 0.000000E+00 (Constraint energy)
2108 EDFAD= 5.491269-315 (DFA distance energy)
2109 EDFAT= 6.953158-310 (DFA torsion energy)
2110 EDFAN= 6.953158-310 (DFA NCa energy)
2111 EDFAB= 2.650815-317 (DFA Beta energy)
2112 ETOT= -8.427270E+01 (total)
2113 RMS deviation from the reference structure: 3.064
2114 % of native contacts: 58.333
2115 % of nonnative contacts: 63.158
2116 contact order: 0.354
2117 TM-score with the reference structure: 0.25
2118 Conformation # 56 read
2121 Conformation # 47 sumsl return code 4
2123 Virtual-chain energies:
2125 EVDW= -4.992304E+01 WEIGHT= 1.352790D+00 (SC-SC)
2126 EVDW2= 5.363912E+01 WEIGHT= 1.593040D+00 (SC-p)
2127 EES= -1.166606E+02 WEIGHT= 7.153400D-01 (p-p)
2128 EVDWPP= -1.666033E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2129 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2130 EBE= -4.367353E+01 WEIGHT= 1.138730D+00 (bending)
2131 ESC= 3.147513E+01 WEIGHT= 1.625800D-01 (SC local)
2132 ETORS= 1.198322E+01 WEIGHT= 1.985990D+00 (torsional)
2133 ETORSD= 1.530666E+00 WEIGHT= 1.570690D+00 (double torsional)
2134 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2135 ECORR4= -8.173211E+01 WEIGHT= 4.288700D-01 (multi-body)
2136 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2137 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2138 EELLO= -4.102444E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2139 ETURN3= 2.027820E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2140 ETURN4= -6.930762E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2141 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2142 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2143 EDIHC= 0.000000E+00 (dihedral angle constraints)
2144 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2145 UCONST= 0.000000E+00 (Constraint energy)
2146 EDFAD= 5.491269-315 (DFA distance energy)
2147 EDFAT= 6.953158-310 (DFA torsion energy)
2148 EDFAN= 6.953158-310 (DFA NCa energy)
2149 EDFAB= 2.650815-317 (DFA Beta energy)
2150 ETOT= -8.780053E+01 (total)
2151 RMS deviation from the reference structure: 3.356
2152 % of native contacts: 25.000
2153 % of nonnative contacts: 84.211
2154 contact order: 0.306
2155 TM-score with the reference structure: 0.27
2156 Conformation # 57 read
2159 Conformation # 7 sumsl return code 4
2161 Virtual-chain energies:
2163 EVDW= -4.928307E+01 WEIGHT= 1.352790D+00 (SC-SC)
2164 EVDW2= 4.086777E+01 WEIGHT= 1.593040D+00 (SC-p)
2165 EES= -7.803956E+01 WEIGHT= 7.153400D-01 (p-p)
2166 EVDWPP= -2.614427E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2167 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2168 EBE= -3.767728E+01 WEIGHT= 1.138730D+00 (bending)
2169 ESC= 2.987521E+01 WEIGHT= 1.625800D-01 (SC local)
2170 ETORS= 7.313348E+00 WEIGHT= 1.985990D+00 (torsional)
2171 ETORSD= -1.215591E+00 WEIGHT= 1.570690D+00 (double torsional)
2172 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2173 ECORR4= -5.787940E+01 WEIGHT= 4.288700D-01 (multi-body)
2174 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2175 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2176 EELLO= 5.761960E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
2177 ETURN3= 1.546097E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2178 ETURN4= -1.277757E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2179 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2180 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2181 EDIHC= 0.000000E+00 (dihedral angle constraints)
2182 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2183 UCONST= 0.000000E+00 (Constraint energy)
2184 EDFAD= 5.491269-315 (DFA distance energy)
2185 EDFAT= 6.953158-310 (DFA torsion energy)
2186 EDFAN= 6.953158-310 (DFA NCa energy)
2187 EDFAB= 2.650815-317 (DFA Beta energy)
2188 ETOT= -8.528609E+01 (total)
2189 RMS deviation from the reference structure: 3.631
2190 % of native contacts: 33.333
2191 % of nonnative contacts: 76.471
2192 contact order: 0.313
2193 TM-score with the reference structure: 0.30
2194 Conformation # 58 read
2197 Conformation # 56 sumsl return code 4
2199 Virtual-chain energies:
2201 EVDW= -5.229926E+01 WEIGHT= 1.352790D+00 (SC-SC)
2202 EVDW2= 4.445137E+01 WEIGHT= 1.593040D+00 (SC-p)
2203 EES= -8.631679E+01 WEIGHT= 7.153400D-01 (p-p)
2204 EVDWPP= -2.527296E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2205 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2206 EBE= -3.865243E+01 WEIGHT= 1.138730D+00 (bending)
2207 ESC= 3.912605E+01 WEIGHT= 1.625800D-01 (SC local)
2208 ETORS= 7.862867E+00 WEIGHT= 1.985990D+00 (torsional)
2209 ETORSD= -1.200357E+00 WEIGHT= 1.570690D+00 (double torsional)
2210 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2211 ECORR4= -6.261065E+01 WEIGHT= 4.288700D-01 (multi-body)
2212 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2213 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2214 EELLO= -1.482872E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2215 ETURN3= 1.806390E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2216 ETURN4= -6.282756E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2217 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2218 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2219 EDIHC= 0.000000E+00 (dihedral angle constraints)
2220 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2221 UCONST= 0.000000E+00 (Constraint energy)
2222 EDFAD= 5.491269-315 (DFA distance energy)
2223 EDFAT= 6.953158-310 (DFA torsion energy)
2224 EDFAN= 6.953158-310 (DFA NCa energy)
2225 EDFAB= 2.650815-317 (DFA Beta energy)
2226 ETOT= -8.550809E+01 (total)
2227 RMS deviation from the reference structure: 3.945
2228 % of native contacts: 41.667
2229 % of nonnative contacts: 76.190
2230 contact order: 0.338
2231 TM-score with the reference structure: 0.29
2232 Conformation # 59 read
2235 Conformation # 53 sumsl return code 4
2237 Virtual-chain energies:
2239 EVDW= -5.364036E+01 WEIGHT= 1.352790D+00 (SC-SC)
2240 EVDW2= 4.404233E+01 WEIGHT= 1.593040D+00 (SC-p)
2241 EES= -8.760155E+01 WEIGHT= 7.153400D-01 (p-p)
2242 EVDWPP= -1.758501E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2243 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2244 EBE= -3.738427E+01 WEIGHT= 1.138730D+00 (bending)
2245 ESC= 4.781087E+01 WEIGHT= 1.625800D-01 (SC local)
2246 ETORS= 8.626289E+00 WEIGHT= 1.985990D+00 (torsional)
2247 ETORSD= -1.512410E+00 WEIGHT= 1.570690D+00 (double torsional)
2248 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2249 ECORR4= -6.329352E+01 WEIGHT= 4.288700D-01 (multi-body)
2250 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2251 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2252 EELLO= 3.769700E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2253 ETURN3= 1.809807E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2254 ETURN4= -2.885832E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2255 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2256 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2257 EDIHC= 0.000000E+00 (dihedral angle constraints)
2258 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2259 UCONST= 0.000000E+00 (Constraint energy)
2260 EDFAD= 5.491269-315 (DFA distance energy)
2261 EDFAT= 6.953158-310 (DFA torsion energy)
2262 EDFAN= 6.953158-310 (DFA NCa energy)
2263 EDFAB= 2.650815-317 (DFA Beta energy)
2264 ETOT= -8.502478E+01 (total)
2265 RMS deviation from the reference structure: 4.868
2266 % of native contacts: 16.667
2267 % of nonnative contacts: 86.667
2268 contact order: 0.324
2269 TM-score with the reference structure: 0.29
2270 Conformation # 60 read
2273 Conformation # 44 sumsl return code 4
2275 Virtual-chain energies:
2277 EVDW= -5.188388E+01 WEIGHT= 1.352790D+00 (SC-SC)
2278 EVDW2= 5.029902E+01 WEIGHT= 1.593040D+00 (SC-p)
2279 EES= -1.027856E+02 WEIGHT= 7.153400D-01 (p-p)
2280 EVDWPP= -2.449355E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2281 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2282 EBE= -3.812501E+01 WEIGHT= 1.138730D+00 (bending)
2283 ESC= 4.204499E+01 WEIGHT= 1.625800D-01 (SC local)
2284 ETORS= 9.719410E+00 WEIGHT= 1.985990D+00 (torsional)
2285 ETORSD= 7.237824E-01 WEIGHT= 1.570690D+00 (double torsional)
2286 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2287 ECORR4= -7.720037E+01 WEIGHT= 4.288700D-01 (multi-body)
2288 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2289 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2290 EELLO= -3.693599E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2291 ETURN3= 1.815449E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2292 ETURN4= -2.968524E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2293 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2294 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2295 EDIHC= 0.000000E+00 (dihedral angle constraints)
2296 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2297 UCONST= 0.000000E+00 (Constraint energy)
2298 EDFAD= 5.491269-315 (DFA distance energy)
2299 EDFAT= 6.953158-310 (DFA torsion energy)
2300 EDFAN= 6.953158-310 (DFA NCa energy)
2301 EDFAB= 2.650815-317 (DFA Beta energy)
2302 ETOT= -8.754707E+01 (total)
2303 RMS deviation from the reference structure: 3.198
2304 % of native contacts: 50.000
2305 % of nonnative contacts: 70.000
2306 contact order: 0.327
2307 TM-score with the reference structure: 0.29
2308 Conformation # 61 read
2311 Conformation # 55 sumsl return code 4
2313 Virtual-chain energies:
2315 EVDW= -5.453480E+01 WEIGHT= 1.352790D+00 (SC-SC)
2316 EVDW2= 4.842847E+01 WEIGHT= 1.593040D+00 (SC-p)
2317 EES= -8.558465E+01 WEIGHT= 7.153400D-01 (p-p)
2318 EVDWPP= -3.665044E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2319 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2320 EBE= -3.689607E+01 WEIGHT= 1.138730D+00 (bending)
2321 ESC= 4.344523E+01 WEIGHT= 1.625800D-01 (SC local)
2322 ETORS= 9.459575E+00 WEIGHT= 1.985990D+00 (torsional)
2323 ETORSD= -3.275427E+00 WEIGHT= 1.570690D+00 (double torsional)
2324 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2325 ECORR4= -6.585480E+01 WEIGHT= 4.288700D-01 (multi-body)
2326 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2327 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2328 EELLO= -2.107669E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2329 ETURN3= 1.468449E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2330 ETURN4= 2.553064E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2331 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2332 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2333 EDIHC= 0.000000E+00 (dihedral angle constraints)
2334 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2335 UCONST= 0.000000E+00 (Constraint energy)
2336 EDFAD= 5.491269-315 (DFA distance energy)
2337 EDFAT= 6.953158-310 (DFA torsion energy)
2338 EDFAN= 6.953158-310 (DFA NCa energy)
2339 EDFAB= 2.650815-317 (DFA Beta energy)
2340 ETOT= -8.543896E+01 (total)
2341 RMS deviation from the reference structure: 3.301
2342 % of native contacts: 50.000
2343 % of nonnative contacts: 70.000
2344 contact order: 0.330
2345 TM-score with the reference structure: 0.28
2346 Conformation # 62 read
2349 Conformation # 61 sumsl return code 4
2351 Virtual-chain energies:
2353 EVDW= -5.317755E+01 WEIGHT= 1.352790D+00 (SC-SC)
2354 EVDW2= 4.529984E+01 WEIGHT= 1.593040D+00 (SC-p)
2355 EES= -9.070004E+01 WEIGHT= 7.153400D-01 (p-p)
2356 EVDWPP= -1.923018E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2357 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2358 EBE= -4.062870E+01 WEIGHT= 1.138730D+00 (bending)
2359 ESC= 4.442335E+01 WEIGHT= 1.625800D-01 (SC local)
2360 ETORS= 9.530746E+00 WEIGHT= 1.985990D+00 (torsional)
2361 ETORSD= -8.878436E-01 WEIGHT= 1.570690D+00 (double torsional)
2362 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2363 ECORR4= -6.241854E+01 WEIGHT= 4.288700D-01 (multi-body)
2364 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2365 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2366 EELLO= 2.760952E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2367 ETURN3= 1.832901E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2368 ETURN4= -3.414633E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2369 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2370 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2371 EDIHC= 0.000000E+00 (dihedral angle constraints)
2372 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2373 UCONST= 0.000000E+00 (Constraint energy)
2374 EDFAD= 5.491269-315 (DFA distance energy)
2375 EDFAT= 6.953158-310 (DFA torsion energy)
2376 EDFAN= 6.953158-310 (DFA NCa energy)
2377 EDFAB= 2.650815-317 (DFA Beta energy)
2378 ETOT= -8.601411E+01 (total)
2379 RMS deviation from the reference structure: 4.202
2380 % of native contacts: 8.333
2381 % of nonnative contacts: 94.737
2382 contact order: 0.333
2383 TM-score with the reference structure: 0.29
2384 Conformation # 63 read
2387 Conformation # 59 sumsl return code 4
2389 Virtual-chain energies:
2391 EVDW= -5.179106E+01 WEIGHT= 1.352790D+00 (SC-SC)
2392 EVDW2= 4.629455E+01 WEIGHT= 1.593040D+00 (SC-p)
2393 EES= -8.841907E+01 WEIGHT= 7.153400D-01 (p-p)
2394 EVDWPP= -3.028376E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2395 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2396 EBE= -3.740849E+01 WEIGHT= 1.138730D+00 (bending)
2397 ESC= 4.534205E+01 WEIGHT= 1.625800D-01 (SC local)
2398 ETORS= 7.102459E+00 WEIGHT= 1.985990D+00 (torsional)
2399 ETORSD= 4.089874E-01 WEIGHT= 1.570690D+00 (double torsional)
2400 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2401 ECORR4= -6.720389E+01 WEIGHT= 4.288700D-01 (multi-body)
2402 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2403 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2404 EELLO= -3.760680E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2405 ETURN3= 1.538745E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2406 ETURN4= -1.996456E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2407 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2408 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2409 EDIHC= 0.000000E+00 (dihedral angle constraints)
2410 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2411 UCONST= 0.000000E+00 (Constraint energy)
2412 EDFAD= 5.491269-315 (DFA distance energy)
2413 EDFAT= 6.953158-310 (DFA torsion energy)
2414 EDFAN= 6.953158-310 (DFA NCa energy)
2415 EDFAB= 2.650815-317 (DFA Beta energy)
2416 ETOT= -8.827031E+01 (total)
2417 RMS deviation from the reference structure: 3.170
2418 % of native contacts: 66.667
2419 % of nonnative contacts: 61.905
2420 contact order: 0.271
2421 TM-score with the reference structure: 0.30
2422 Conformation # 64 read
2425 Conformation # 57 sumsl return code 4
2427 Virtual-chain energies:
2429 EVDW= -5.042310E+01 WEIGHT= 1.352790D+00 (SC-SC)
2430 EVDW2= 4.600243E+01 WEIGHT= 1.593040D+00 (SC-p)
2431 EES= -9.490518E+01 WEIGHT= 7.153400D-01 (p-p)
2432 EVDWPP= -2.285929E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2433 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2434 EBE= -3.988336E+01 WEIGHT= 1.138730D+00 (bending)
2435 ESC= 2.607804E+01 WEIGHT= 1.625800D-01 (SC local)
2436 ETORS= 1.210209E+01 WEIGHT= 1.985990D+00 (torsional)
2437 ETORSD= -1.324364E+00 WEIGHT= 1.570690D+00 (double torsional)
2438 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2439 ECORR4= -6.755724E+01 WEIGHT= 4.288700D-01 (multi-body)
2440 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2441 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2442 EELLO= -1.722919E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2443 ETURN3= 1.653230E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2444 ETURN4= 1.184771E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2445 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2446 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2447 EDIHC= 0.000000E+00 (dihedral angle constraints)
2448 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2449 UCONST= 0.000000E+00 (Constraint energy)
2450 EDFAD= 5.491269-315 (DFA distance energy)
2451 EDFAT= 6.953158-310 (DFA torsion energy)
2452 EDFAN= 6.953158-310 (DFA NCa energy)
2453 EDFAB= 2.650815-317 (DFA Beta energy)
2454 ETOT= -8.521035E+01 (total)
2455 RMS deviation from the reference structure: 3.790
2456 % of native contacts: 33.333
2457 % of nonnative contacts: 80.000
2458 contact order: 0.366
2459 TM-score with the reference structure: 0.26
2460 Conformation # 65 read
2463 Conformation # 64 sumsl return code 4
2465 Virtual-chain energies:
2467 EVDW= -5.295550E+01 WEIGHT= 1.352790D+00 (SC-SC)
2468 EVDW2= 4.795870E+01 WEIGHT= 1.593040D+00 (SC-p)
2469 EES= -9.040875E+01 WEIGHT= 7.153400D-01 (p-p)
2470 EVDWPP= -3.132648E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2471 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2472 EBE= -3.699492E+01 WEIGHT= 1.138730D+00 (bending)
2473 ESC= 5.102125E+01 WEIGHT= 1.625800D-01 (SC local)
2474 ETORS= 7.902693E+00 WEIGHT= 1.985990D+00 (torsional)
2475 ETORSD= 7.791768E-02 WEIGHT= 1.570690D+00 (double torsional)
2476 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2477 ECORR4= -6.708701E+01 WEIGHT= 4.288700D-01 (multi-body)
2478 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2479 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2480 EELLO= -6.280698E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2481 ETURN3= 1.656308E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2482 ETURN4= -2.938435E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2483 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2484 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2485 EDIHC= 0.000000E+00 (dihedral angle constraints)
2486 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2487 UCONST= 0.000000E+00 (Constraint energy)
2488 EDFAD= 5.491269-315 (DFA distance energy)
2489 EDFAT= 6.953158-310 (DFA torsion energy)
2490 EDFAN= 6.953158-310 (DFA NCa energy)
2491 EDFAB= 2.650815-317 (DFA Beta energy)
2492 ETOT= -8.526715E+01 (total)
2493 RMS deviation from the reference structure: 3.284
2494 % of native contacts: 50.000
2495 % of nonnative contacts: 72.727
2496 contact order: 0.351
2497 TM-score with the reference structure: 0.30
2498 Conformation # 66 read
2501 Conformation # 60 sumsl return code 4
2503 Virtual-chain energies:
2505 EVDW= -5.630734E+01 WEIGHT= 1.352790D+00 (SC-SC)
2506 EVDW2= 4.879338E+01 WEIGHT= 1.593040D+00 (SC-p)
2507 EES= -9.755453E+01 WEIGHT= 7.153400D-01 (p-p)
2508 EVDWPP= -2.152566E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2509 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2510 EBE= -4.046953E+01 WEIGHT= 1.138730D+00 (bending)
2511 ESC= 4.955701E+01 WEIGHT= 1.625800D-01 (SC local)
2512 ETORS= 1.221616E+01 WEIGHT= 1.985990D+00 (torsional)
2513 ETORSD= -2.112377E+00 WEIGHT= 1.570690D+00 (double torsional)
2514 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2515 ECORR4= -7.225855E+01 WEIGHT= 4.288700D-01 (multi-body)
2516 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2517 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2518 EELLO= -3.713139E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2519 ETURN3= 1.932526E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2520 ETURN4= -7.551985E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2521 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2522 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2523 EDIHC= 0.000000E+00 (dihedral angle constraints)
2524 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2525 UCONST= 0.000000E+00 (Constraint energy)
2526 EDFAD= 5.491269-315 (DFA distance energy)
2527 EDFAT= 6.953158-310 (DFA torsion energy)
2528 EDFAN= 6.953158-310 (DFA NCa energy)
2529 EDFAB= 2.650815-317 (DFA Beta energy)
2530 ETOT= -8.723730E+01 (total)
2531 RMS deviation from the reference structure: 3.297
2532 % of native contacts: 25.000
2533 % of nonnative contacts: 82.353
2534 contact order: 0.353
2535 TM-score with the reference structure: 0.30
2536 Conformation # 67 read
2539 Conformation # 65 sumsl return code 4
2541 Virtual-chain energies:
2543 EVDW= -5.186846E+01 WEIGHT= 1.352790D+00 (SC-SC)
2544 EVDW2= 3.687270E+01 WEIGHT= 1.593040D+00 (SC-p)
2545 EES= -6.703374E+01 WEIGHT= 7.153400D-01 (p-p)
2546 EVDWPP= -2.641379E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2547 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2548 EBE= -4.036413E+01 WEIGHT= 1.138730D+00 (bending)
2549 ESC= 3.676547E+01 WEIGHT= 1.625800D-01 (SC local)
2550 ETORS= 9.012940E+00 WEIGHT= 1.985990D+00 (torsional)
2551 ETORSD= -2.382653E+00 WEIGHT= 1.570690D+00 (double torsional)
2552 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2553 ECORR4= -4.979189E+01 WEIGHT= 4.288700D-01 (multi-body)
2554 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2555 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2556 EELLO= 5.277529E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
2557 ETURN3= 1.436494E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2558 ETURN4= 4.574259E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2559 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2560 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2561 EDIHC= 0.000000E+00 (dihedral angle constraints)
2562 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2563 UCONST= 0.000000E+00 (Constraint energy)
2564 EDFAD= 5.491269-315 (DFA distance energy)
2565 EDFAT= 6.953158-310 (DFA torsion energy)
2566 EDFAN= 6.953158-310 (DFA NCa energy)
2567 EDFAB= 2.650815-317 (DFA Beta energy)
2568 ETOT= -8.494206E+01 (total)
2569 RMS deviation from the reference structure: 5.112
2570 % of native contacts: 33.333
2571 % of nonnative contacts: 78.947
2572 contact order: 0.361
2573 TM-score with the reference structure: 0.28
2574 Conformation # 68 read
2577 Conformation # 58 sumsl return code 4
2579 Virtual-chain energies:
2581 EVDW= -5.186232E+01 WEIGHT= 1.352790D+00 (SC-SC)
2582 EVDW2= 3.807428E+01 WEIGHT= 1.593040D+00 (SC-p)
2583 EES= -7.112529E+01 WEIGHT= 7.153400D-01 (p-p)
2584 EVDWPP= -2.420347E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2585 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2586 EBE= -3.603353E+01 WEIGHT= 1.138730D+00 (bending)
2587 ESC= 4.265332E+01 WEIGHT= 1.625800D-01 (SC local)
2588 ETORS= 7.397902E+00 WEIGHT= 1.985990D+00 (torsional)
2589 ETORSD= -2.708645E+00 WEIGHT= 1.570690D+00 (double torsional)
2590 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2591 ECORR4= -5.377590E+01 WEIGHT= 4.288700D-01 (multi-body)
2592 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2593 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2594 EELLO= 5.479509E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
2595 ETURN3= 1.506095E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2596 ETURN4= 9.441086E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
2597 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2598 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2599 EDIHC= 0.000000E+00 (dihedral angle constraints)
2600 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2601 UCONST= 0.000000E+00 (Constraint energy)
2602 EDFAD= 5.491269-315 (DFA distance energy)
2603 EDFAT= 6.953158-310 (DFA torsion energy)
2604 EDFAN= 6.953158-310 (DFA NCa energy)
2605 EDFAB= 2.650815-317 (DFA Beta energy)
2606 ETOT= -8.429742E+01 (total)
2607 RMS deviation from the reference structure: 4.907
2608 % of native contacts: 33.333
2609 % of nonnative contacts: 77.778
2610 contact order: 0.399
2611 TM-score with the reference structure: 0.29
2612 Conformation # 69 read
2615 Conformation # 62 sumsl return code 4
2617 Virtual-chain energies:
2619 EVDW= -5.057064E+01 WEIGHT= 1.352790D+00 (SC-SC)
2620 EVDW2= 4.074661E+01 WEIGHT= 1.593040D+00 (SC-p)
2621 EES= -8.577540E+01 WEIGHT= 7.153400D-01 (p-p)
2622 EVDWPP= -1.142730E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2623 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2624 EBE= -3.529805E+01 WEIGHT= 1.138730D+00 (bending)
2625 ESC= 3.135663E+01 WEIGHT= 1.625800D-01 (SC local)
2626 ETORS= 8.106742E+00 WEIGHT= 1.985990D+00 (torsional)
2627 ETORSD= -3.708433E-01 WEIGHT= 1.570690D+00 (double torsional)
2628 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2629 ECORR4= -5.984167E+01 WEIGHT= 4.288700D-01 (multi-body)
2630 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2631 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2632 EELLO= 3.690159E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2633 ETURN3= 1.699486E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2634 ETURN4= -3.680174E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2635 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2636 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2637 EDIHC= 0.000000E+00 (dihedral angle constraints)
2638 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2639 UCONST= 0.000000E+00 (Constraint energy)
2640 EDFAD= 5.491269-315 (DFA distance energy)
2641 EDFAT= 6.953158-310 (DFA torsion energy)
2642 EDFAN= 6.953158-310 (DFA NCa energy)
2643 EDFAB= 2.650815-317 (DFA Beta energy)
2644 ETOT= -8.457385E+01 (total)
2645 RMS deviation from the reference structure: 4.729
2646 % of native contacts: 16.667
2647 % of nonnative contacts: 87.500
2648 contact order: 0.398
2649 TM-score with the reference structure: 0.31
2650 Conformation # 70 read
2653 Conformation # 67 sumsl return code 4
2655 Virtual-chain energies:
2657 EVDW= -5.455168E+01 WEIGHT= 1.352790D+00 (SC-SC)
2658 EVDW2= 5.219747E+01 WEIGHT= 1.593040D+00 (SC-p)
2659 EES= -1.050905E+02 WEIGHT= 7.153400D-01 (p-p)
2660 EVDWPP= -2.381681E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2661 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2662 EBE= -3.878552E+01 WEIGHT= 1.138730D+00 (bending)
2663 ESC= 4.519645E+01 WEIGHT= 1.625800D-01 (SC local)
2664 ETORS= 9.338368E+00 WEIGHT= 1.985990D+00 (torsional)
2665 ETORSD= 3.081421E-01 WEIGHT= 1.570690D+00 (double torsional)
2666 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2667 ECORR4= -7.962151E+01 WEIGHT= 4.288700D-01 (multi-body)
2668 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2669 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2670 EELLO= -5.479811E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2671 ETURN3= 1.881440E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2672 ETURN4= -2.180121E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2673 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2674 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2675 EDIHC= 0.000000E+00 (dihedral angle constraints)
2676 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2677 UCONST= 0.000000E+00 (Constraint energy)
2678 EDFAD= 5.491269-315 (DFA distance energy)
2679 EDFAT= 6.953158-310 (DFA torsion energy)
2680 EDFAN= 6.953158-310 (DFA NCa energy)
2681 EDFAB= 2.650815-317 (DFA Beta energy)
2682 ETOT= -9.104212E+01 (total)
2683 RMS deviation from the reference structure: 3.058
2684 % of native contacts: 58.333
2685 % of nonnative contacts: 68.182
2686 contact order: 0.279
2687 TM-score with the reference structure: 0.30
2688 Conformation # 71 read
2691 Conformation # 63 sumsl return code 4
2693 Virtual-chain energies:
2695 EVDW= -4.838675E+01 WEIGHT= 1.352790D+00 (SC-SC)
2696 EVDW2= 5.329709E+01 WEIGHT= 1.593040D+00 (SC-p)
2697 EES= -1.156802E+02 WEIGHT= 7.153400D-01 (p-p)
2698 EVDWPP= -1.743391E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2699 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2700 EBE= -4.220411E+01 WEIGHT= 1.138730D+00 (bending)
2701 ESC= 3.582485E+01 WEIGHT= 1.625800D-01 (SC local)
2702 ETORS= 1.225123E+01 WEIGHT= 1.985990D+00 (torsional)
2703 ETORSD= 4.195183E-01 WEIGHT= 1.570690D+00 (double torsional)
2704 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2705 ECORR4= -8.224275E+01 WEIGHT= 4.288700D-01 (multi-body)
2706 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2707 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2708 EELLO= -1.075349E+01 WEIGHT= 1.603600D-01 (electrostatic-local)
2709 ETURN3= 1.969166E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2710 ETURN4= 9.440083E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2711 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2712 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2713 EDIHC= 0.000000E+00 (dihedral angle constraints)
2714 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2715 UCONST= 0.000000E+00 (Constraint energy)
2716 EDFAD= 5.491269-315 (DFA distance energy)
2717 EDFAT= 6.953158-310 (DFA torsion energy)
2718 EDFAN= 6.953158-310 (DFA NCa energy)
2719 EDFAB= 2.650815-317 (DFA Beta energy)
2720 ETOT= -8.567723E+01 (total)
2721 RMS deviation from the reference structure: 3.888
2722 % of native contacts: 50.000
2723 % of nonnative contacts: 71.429
2724 contact order: 0.323
2725 TM-score with the reference structure: 0.32
2726 Conformation # 72 read
2729 Conformation # 71 sumsl return code 4
2731 Virtual-chain energies:
2733 EVDW= -4.955611E+01 WEIGHT= 1.352790D+00 (SC-SC)
2734 EVDW2= 4.930650E+01 WEIGHT= 1.593040D+00 (SC-p)
2735 EES= -9.298890E+01 WEIGHT= 7.153400D-01 (p-p)
2736 EVDWPP= -2.833676E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2737 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2738 EBE= -4.043403E+01 WEIGHT= 1.138730D+00 (bending)
2739 ESC= 2.435709E+01 WEIGHT= 1.625800D-01 (SC local)
2740 ETORS= 1.041503E+01 WEIGHT= 1.985990D+00 (torsional)
2741 ETORSD= -2.684490E+00 WEIGHT= 1.570690D+00 (double torsional)
2742 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2743 ECORR4= -7.150136E+01 WEIGHT= 4.288700D-01 (multi-body)
2744 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2745 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2746 EELLO= -5.720917E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2747 ETURN3= 1.743149E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2748 ETURN4= 1.804284E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2749 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2750 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2751 EDIHC= 0.000000E+00 (dihedral angle constraints)
2752 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2753 UCONST= 0.000000E+00 (Constraint energy)
2754 EDFAD= 5.491269-315 (DFA distance energy)
2755 EDFAT= 6.953158-310 (DFA torsion energy)
2756 EDFAN= 6.953158-310 (DFA NCa energy)
2757 EDFAB= 2.650815-317 (DFA Beta energy)
2758 ETOT= -8.482491E+01 (total)
2759 RMS deviation from the reference structure: 3.837
2760 % of native contacts: 50.000
2761 % of nonnative contacts: 68.421
2762 contact order: 0.278
2763 TM-score with the reference structure: 0.33
2764 Conformation # 73 read
2767 Conformation # 66 sumsl return code 4
2769 Virtual-chain energies:
2771 EVDW= -5.558862E+01 WEIGHT= 1.352790D+00 (SC-SC)
2772 EVDW2= 4.099564E+01 WEIGHT= 1.593040D+00 (SC-p)
2773 EES= -7.263991E+01 WEIGHT= 7.153400D-01 (p-p)
2774 EVDWPP= -2.871983E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2775 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2776 EBE= -3.983438E+01 WEIGHT= 1.138730D+00 (bending)
2777 ESC= 4.878720E+01 WEIGHT= 1.625800D-01 (SC local)
2778 ETORS= 1.077193E+01 WEIGHT= 1.985990D+00 (torsional)
2779 ETORSD= -2.090169E-01 WEIGHT= 1.570690D+00 (double torsional)
2780 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2781 ECORR4= -4.736706E+01 WEIGHT= 4.288700D-01 (multi-body)
2782 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2783 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2784 EELLO= 3.065615E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2785 ETURN3= 1.303590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2786 ETURN4= -7.783258E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2787 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2788 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2789 EDIHC= 0.000000E+00 (dihedral angle constraints)
2790 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2791 UCONST= 0.000000E+00 (Constraint energy)
2792 EDFAD= 5.491269-315 (DFA distance energy)
2793 EDFAT= 6.953158-310 (DFA torsion energy)
2794 EDFAN= 6.953158-310 (DFA NCa energy)
2795 EDFAB= 2.650815-317 (DFA Beta energy)
2796 ETOT= -8.446727E+01 (total)
2797 RMS deviation from the reference structure: 4.248
2798 % of native contacts: 25.000
2799 % of nonnative contacts: 80.000
2800 contact order: 0.355
2801 TM-score with the reference structure: 0.26
2802 Conformation # 74 read
2805 Conformation # 73 sumsl return code 4
2807 Virtual-chain energies:
2809 EVDW= -5.070442E+01 WEIGHT= 1.352790D+00 (SC-SC)
2810 EVDW2= 3.873356E+01 WEIGHT= 1.593040D+00 (SC-p)
2811 EES= -7.528914E+01 WEIGHT= 7.153400D-01 (p-p)
2812 EVDWPP= -1.629209E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2813 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2814 EBE= -3.705370E+01 WEIGHT= 1.138730D+00 (bending)
2815 ESC= 4.089260E+01 WEIGHT= 1.625800D-01 (SC local)
2816 ETORS= 8.532795E+00 WEIGHT= 1.985990D+00 (torsional)
2817 ETORSD= -1.191087E+00 WEIGHT= 1.570690D+00 (double torsional)
2818 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2819 ECORR4= -5.469123E+01 WEIGHT= 4.288700D-01 (multi-body)
2820 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2821 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2822 EELLO= 3.129515E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2823 ETURN3= 1.442443E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2824 ETURN4= -3.119318E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2825 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2826 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2827 EDIHC= 0.000000E+00 (dihedral angle constraints)
2828 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2829 UCONST= 0.000000E+00 (Constraint energy)
2830 EDFAD= 5.491269-315 (DFA distance energy)
2831 EDFAT= 6.953158-310 (DFA torsion energy)
2832 EDFAN= 6.953158-310 (DFA NCa energy)
2833 EDFAB= 2.650815-317 (DFA Beta energy)
2834 ETOT= -8.375117E+01 (total)
2835 RMS deviation from the reference structure: 4.797
2836 % of native contacts: 25.000
2837 % of nonnative contacts: 83.333
2838 contact order: 0.449
2839 TM-score with the reference structure: 0.28
2840 Conformation # 75 read
2843 Conformation # 68 sumsl return code 4
2845 Virtual-chain energies:
2847 EVDW= -5.185202E+01 WEIGHT= 1.352790D+00 (SC-SC)
2848 EVDW2= 4.306902E+01 WEIGHT= 1.593040D+00 (SC-p)
2849 EES= -7.142382E+01 WEIGHT= 7.153400D-01 (p-p)
2850 EVDWPP= -4.068427E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2851 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2852 EBE= -3.737453E+01 WEIGHT= 1.138730D+00 (bending)
2853 ESC= 3.911609E+01 WEIGHT= 1.625800D-01 (SC local)
2854 ETORS= 7.209737E+00 WEIGHT= 1.985990D+00 (torsional)
2855 ETORSD= -1.672418E+00 WEIGHT= 1.570690D+00 (double torsional)
2856 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2857 ECORR4= -5.441112E+01 WEIGHT= 4.288700D-01 (multi-body)
2858 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2859 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2860 EELLO= -2.262242E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2861 ETURN3= 1.274248E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2862 ETURN4= 4.334053E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2863 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2864 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2865 EDIHC= 0.000000E+00 (dihedral angle constraints)
2866 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2867 UCONST= 0.000000E+00 (Constraint energy)
2868 EDFAD= 5.491269-315 (DFA distance energy)
2869 EDFAT= 6.953158-310 (DFA torsion energy)
2870 EDFAN= 6.953158-310 (DFA NCa energy)
2871 EDFAB= 2.650815-317 (DFA Beta energy)
2872 ETOT= -8.367279E+01 (total)
2873 RMS deviation from the reference structure: 3.393
2874 % of native contacts: 41.667
2875 % of nonnative contacts: 78.261
2876 contact order: 0.403
2877 TM-score with the reference structure: 0.25
2878 Conformation # 76 read
2881 Conformation # 70 sumsl return code 4
2883 Virtual-chain energies:
2885 EVDW= -4.941332E+01 WEIGHT= 1.352790D+00 (SC-SC)
2886 EVDW2= 4.327549E+01 WEIGHT= 1.593040D+00 (SC-p)
2887 EES= -7.973914E+01 WEIGHT= 7.153400D-01 (p-p)
2888 EVDWPP= -3.224179E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2889 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2890 EBE= -3.907734E+01 WEIGHT= 1.138730D+00 (bending)
2891 ESC= 3.175026E+01 WEIGHT= 1.625800D-01 (SC local)
2892 ETORS= 1.108134E+01 WEIGHT= 1.985990D+00 (torsional)
2893 ETORSD= -3.746853E+00 WEIGHT= 1.570690D+00 (double torsional)
2894 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2895 ECORR4= -6.063216E+01 WEIGHT= 4.288700D-01 (multi-body)
2896 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2897 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2898 EELLO= -1.044895E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2899 ETURN3= 1.277766E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2900 ETURN4= 1.359596E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2901 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2902 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2903 EDIHC= 0.000000E+00 (dihedral angle constraints)
2904 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2905 UCONST= 0.000000E+00 (Constraint energy)
2906 EDFAD= 5.491269-315 (DFA distance energy)
2907 EDFAT= 6.953158-310 (DFA torsion energy)
2908 EDFAN= 6.953158-310 (DFA NCa energy)
2909 EDFAB= 2.650815-317 (DFA Beta energy)
2910 ETOT= -8.553904E+01 (total)
2911 RMS deviation from the reference structure: 4.457
2912 % of native contacts: 33.333
2913 % of nonnative contacts: 80.000
2914 contact order: 0.343
2915 TM-score with the reference structure: 0.32
2916 Conformation # 77 read
2919 Conformation # 75 sumsl return code 4
2921 Virtual-chain energies:
2923 EVDW= -5.092030E+01 WEIGHT= 1.352790D+00 (SC-SC)
2924 EVDW2= 4.785689E+01 WEIGHT= 1.593040D+00 (SC-p)
2925 EES= -9.703989E+01 WEIGHT= 7.153400D-01 (p-p)
2926 EVDWPP= -2.112290E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2927 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2928 EBE= -4.155311E+01 WEIGHT= 1.138730D+00 (bending)
2929 ESC= 4.015582E+01 WEIGHT= 1.625800D-01 (SC local)
2930 ETORS= 1.117221E+01 WEIGHT= 1.985990D+00 (torsional)
2931 ETORSD= -2.062745E+00 WEIGHT= 1.570690D+00 (double torsional)
2932 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2933 ECORR4= -7.085881E+01 WEIGHT= 4.288700D-01 (multi-body)
2934 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2935 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2936 EELLO= -1.861471E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2937 ETURN3= 1.888590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2938 ETURN4= -2.256480E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2939 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2940 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2941 EDIHC= 0.000000E+00 (dihedral angle constraints)
2942 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2943 UCONST= 0.000000E+00 (Constraint energy)
2944 EDFAD= 5.491269-315 (DFA distance energy)
2945 EDFAT= 6.953158-310 (DFA torsion energy)
2946 EDFAN= 6.953158-310 (DFA NCa energy)
2947 EDFAB= 2.650815-317 (DFA Beta energy)
2948 ETOT= -8.662372E+01 (total)
2949 RMS deviation from the reference structure: 3.111
2950 % of native contacts: 25.000
2951 % of nonnative contacts: 82.353
2952 contact order: 0.345
2953 TM-score with the reference structure: 0.30
2954 Conformation # 78 read
2957 Conformation # 72 sumsl return code 4
2959 Virtual-chain energies:
2961 EVDW= -5.202642E+01 WEIGHT= 1.352790D+00 (SC-SC)
2962 EVDW2= 3.719718E+01 WEIGHT= 1.593040D+00 (SC-p)
2963 EES= -6.632733E+01 WEIGHT= 7.153400D-01 (p-p)
2964 EVDWPP= -2.983163E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2965 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2966 EBE= -3.708483E+01 WEIGHT= 1.138730D+00 (bending)
2967 ESC= 3.442534E+01 WEIGHT= 1.625800D-01 (SC local)
2968 ETORS= 5.991446E+00 WEIGHT= 1.985990D+00 (torsional)
2969 ETORSD= -8.175710E-01 WEIGHT= 1.570690D+00 (double torsional)
2970 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2971 ECORR4= -4.825685E+01 WEIGHT= 4.288700D-01 (multi-body)
2972 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2973 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2974 EELLO= -7.114080E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
2975 ETURN3= 1.436691E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2976 ETURN4= -1.579530E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2977 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2978 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2979 EDIHC= 0.000000E+00 (dihedral angle constraints)
2980 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2981 UCONST= 0.000000E+00 (Constraint energy)
2982 EDFAD= 5.491269-315 (DFA distance energy)
2983 EDFAT= 6.953158-310 (DFA torsion energy)
2984 EDFAN= 6.953158-310 (DFA NCa energy)
2985 EDFAB= 2.650815-317 (DFA Beta energy)
2986 ETOT= -8.559688E+01 (total)
2987 RMS deviation from the reference structure: 4.213
2988 % of native contacts: 33.333
2989 % of nonnative contacts: 78.947
2990 contact order: 0.380
2991 TM-score with the reference structure: 0.29
2992 Conformation # 79 read
2995 Conformation # 77 sumsl return code 4
2997 Virtual-chain energies:
2999 EVDW= -5.270228E+01 WEIGHT= 1.352790D+00 (SC-SC)
3000 EVDW2= 5.502728E+01 WEIGHT= 1.593040D+00 (SC-p)
3001 EES= -1.136852E+02 WEIGHT= 7.153400D-01 (p-p)
3002 EVDWPP= -1.504331E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3003 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3004 EBE= -4.093744E+01 WEIGHT= 1.138730D+00 (bending)
3005 ESC= 3.996051E+01 WEIGHT= 1.625800D-01 (SC local)
3006 ETORS= 1.458986E+01 WEIGHT= 1.985990D+00 (torsional)
3007 ETORSD= -1.929067E+00 WEIGHT= 1.570690D+00 (double torsional)
3008 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3009 ECORR4= -8.308958E+01 WEIGHT= 4.288700D-01 (multi-body)
3010 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3011 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3012 EELLO= -1.665224E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3013 ETURN3= 1.893201E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3014 ETURN4= -1.541986E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
3015 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3016 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3017 EDIHC= 0.000000E+00 (dihedral angle constraints)
3018 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3019 UCONST= 0.000000E+00 (Constraint energy)
3020 EDFAD= 5.491269-315 (DFA distance energy)
3021 EDFAT= 6.953158-310 (DFA torsion energy)
3022 EDFAN= 6.953158-310 (DFA NCa energy)
3023 EDFAB= 2.650815-317 (DFA Beta energy)
3024 ETOT= -8.490451E+01 (total)
3025 RMS deviation from the reference structure: 3.061
3026 % of native contacts: 58.333
3027 % of nonnative contacts: 69.565
3028 contact order: 0.370
3029 TM-score with the reference structure: 0.31
3030 Conformation # 80 read
3033 Conformation # 79 sumsl return code 4
3035 Virtual-chain energies:
3037 EVDW= -5.341258E+01 WEIGHT= 1.352790D+00 (SC-SC)
3038 EVDW2= 5.243747E+01 WEIGHT= 1.593040D+00 (SC-p)
3039 EES= -1.050399E+02 WEIGHT= 7.153400D-01 (p-p)
3040 EVDWPP= -2.565287E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3041 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3042 EBE= -3.714976E+01 WEIGHT= 1.138730D+00 (bending)
3043 ESC= 4.875607E+01 WEIGHT= 1.625800D-01 (SC local)
3044 ETORS= 8.727249E+00 WEIGHT= 1.985990D+00 (torsional)
3045 ETORSD= -4.808561E-01 WEIGHT= 1.570690D+00 (double torsional)
3046 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3047 ECORR4= -7.774905E+01 WEIGHT= 4.288700D-01 (multi-body)
3048 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3049 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3050 EELLO= -6.233475E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3051 ETURN3= 1.861225E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3052 ETURN4= -3.151985E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3053 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3054 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3055 EDIHC= 0.000000E+00 (dihedral angle constraints)
3056 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3057 UCONST= 0.000000E+00 (Constraint energy)
3058 EDFAD= 5.491269-315 (DFA distance energy)
3059 EDFAT= 6.953158-310 (DFA torsion energy)
3060 EDFAN= 6.953158-310 (DFA NCa energy)
3061 EDFAB= 2.650815-317 (DFA Beta energy)
3062 ETOT= -8.960553E+01 (total)
3063 RMS deviation from the reference structure: 2.212
3064 % of native contacts: 66.667
3065 % of nonnative contacts: 60.000
3066 contact order: 0.314
3067 TM-score with the reference structure: 0.31
3068 Conformation # 81 read
3071 Conformation # 80 sumsl return code 4
3073 Virtual-chain energies:
3075 EVDW= -5.034280E+01 WEIGHT= 1.352790D+00 (SC-SC)
3076 EVDW2= 4.944940E+01 WEIGHT= 1.593040D+00 (SC-p)
3077 EES= -1.039191E+02 WEIGHT= 7.153400D-01 (p-p)
3078 EVDWPP= -1.890786E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3079 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3080 EBE= -4.181616E+01 WEIGHT= 1.138730D+00 (bending)
3081 ESC= 4.984295E+01 WEIGHT= 1.625800D-01 (SC local)
3082 ETORS= 1.106015E+01 WEIGHT= 1.985990D+00 (torsional)
3083 ETORSD= 1.023298E+00 WEIGHT= 1.570690D+00 (double torsional)
3084 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3085 ECORR4= -7.323080E+01 WEIGHT= 4.288700D-01 (multi-body)
3086 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3087 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3088 EELLO= -9.436675E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
3089 ETURN3= 1.777731E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3090 ETURN4= -3.457531E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3091 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3092 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3093 EDIHC= 0.000000E+00 (dihedral angle constraints)
3094 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3095 UCONST= 0.000000E+00 (Constraint energy)
3096 EDFAD= 5.491269-315 (DFA distance energy)
3097 EDFAT= 6.953158-310 (DFA torsion energy)
3098 EDFAN= 6.953158-310 (DFA NCa energy)
3099 EDFAB= 2.650815-317 (DFA Beta energy)
3100 ETOT= -8.561058E+01 (total)
3101 RMS deviation from the reference structure: 4.041
3102 % of native contacts: 33.333
3103 % of nonnative contacts: 80.000
3104 contact order: 0.261
3105 TM-score with the reference structure: 0.31
3106 Conformation # 82 read
3109 Conformation # 34 sumsl return code 4
3111 Virtual-chain energies:
3113 EVDW= -5.327677E+01 WEIGHT= 1.352790D+00 (SC-SC)
3114 EVDW2= 4.785569E+01 WEIGHT= 1.593040D+00 (SC-p)
3115 EES= -9.408768E+01 WEIGHT= 7.153400D-01 (p-p)
3116 EVDWPP= -3.013096E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3117 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3118 EBE= -3.638280E+01 WEIGHT= 1.138730D+00 (bending)
3119 ESC= 3.624299E+01 WEIGHT= 1.625800D-01 (SC local)
3120 ETORS= 8.782741E+00 WEIGHT= 1.985990D+00 (torsional)
3121 ETORSD= 6.159791E-02 WEIGHT= 1.570690D+00 (double torsional)
3122 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3123 ECORR4= -7.185862E+01 WEIGHT= 4.288700D-01 (multi-body)
3124 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3125 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3126 EELLO= -7.298110E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3127 ETURN3= 1.723138E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3128 ETURN4= -2.151824E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
3129 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3130 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3131 EDIHC= 0.000000E+00 (dihedral angle constraints)
3132 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3133 UCONST= 0.000000E+00 (Constraint energy)
3134 EDFAD= 5.491269-315 (DFA distance energy)
3135 EDFAT= 6.953158-310 (DFA torsion energy)
3136 EDFAN= 6.953158-310 (DFA NCa energy)
3137 EDFAB= 2.650815-317 (DFA Beta energy)
3138 ETOT= -8.762345E+01 (total)
3139 RMS deviation from the reference structure: 3.373
3140 % of native contacts: 50.000
3141 % of nonnative contacts: 73.913
3142 contact order: 0.318
3143 TM-score with the reference structure: 0.32
3144 Conformation # 83 read
3147 Conformation # 78 sumsl return code 4
3149 Virtual-chain energies:
3151 EVDW= -5.259873E+01 WEIGHT= 1.352790D+00 (SC-SC)
3152 EVDW2= 4.539096E+01 WEIGHT= 1.593040D+00 (SC-p)
3153 EES= -9.292482E+01 WEIGHT= 7.153400D-01 (p-p)
3154 EVDWPP= -2.530713E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3155 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3156 EBE= -4.174051E+01 WEIGHT= 1.138730D+00 (bending)
3157 ESC= 4.192592E+01 WEIGHT= 1.625800D-01 (SC local)
3158 ETORS= 1.110695E+01 WEIGHT= 1.985990D+00 (torsional)
3159 ETORSD= -9.768233E-02 WEIGHT= 1.570690D+00 (double torsional)
3160 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3161 ECORR4= -6.361707E+01 WEIGHT= 4.288700D-01 (multi-body)
3162 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3163 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3164 EELLO= -4.792713E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3165 ETURN3= 1.655658E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3166 ETURN4= 2.321222E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3167 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3168 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3169 EDIHC= 0.000000E+00 (dihedral angle constraints)
3170 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3171 UCONST= 0.000000E+00 (Constraint energy)
3172 EDFAD= 5.491269-315 (DFA distance energy)
3173 EDFAT= 6.953158-310 (DFA torsion energy)
3174 EDFAN= 6.953158-310 (DFA NCa energy)
3175 EDFAB= 2.650815-317 (DFA Beta energy)
3176 ETOT= -8.558602E+01 (total)
3177 RMS deviation from the reference structure: 3.730
3178 % of native contacts: 41.667
3179 % of nonnative contacts: 76.190
3180 contact order: 0.312
3181 TM-score with the reference structure: 0.27
3182 Conformation # 84 read
3185 Conformation # 83 sumsl return code 4
3187 Virtual-chain energies:
3189 EVDW= -4.967079E+01 WEIGHT= 1.352790D+00 (SC-SC)
3190 EVDW2= 4.575443E+01 WEIGHT= 1.593040D+00 (SC-p)
3191 EES= -9.058588E+01 WEIGHT= 7.153400D-01 (p-p)
3192 EVDWPP= -1.802426E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3193 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3194 EBE= -3.814456E+01 WEIGHT= 1.138730D+00 (bending)
3195 ESC= 3.798496E+01 WEIGHT= 1.625800D-01 (SC local)
3196 ETORS= 8.347573E+00 WEIGHT= 1.985990D+00 (torsional)
3197 ETORSD= -2.343764E+00 WEIGHT= 1.570690D+00 (double torsional)
3198 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3199 ECORR4= -6.813979E+01 WEIGHT= 4.288700D-01 (multi-body)
3200 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3201 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3202 EELLO= -4.057028E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3203 ETURN3= 1.857192E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3204 ETURN4= -1.560471E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3205 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3206 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3207 EDIHC= 0.000000E+00 (dihedral angle constraints)
3208 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3209 UCONST= 0.000000E+00 (Constraint energy)
3210 EDFAD= 5.491269-315 (DFA distance energy)
3211 EDFAT= 6.953158-310 (DFA torsion energy)
3212 EDFAN= 6.953158-310 (DFA NCa energy)
3213 EDFAB= 2.650815-317 (DFA Beta energy)
3214 ETOT= -8.509093E+01 (total)
3215 RMS deviation from the reference structure: 6.810
3216 % of native contacts: 25.000
3217 % of nonnative contacts: 83.333
3218 contact order: 0.255
3219 TM-score with the reference structure: 0.29
3220 Conformation # 85 read
3223 Conformation # 82 sumsl return code 4
3225 Virtual-chain energies:
3227 EVDW= -5.396731E+01 WEIGHT= 1.352790D+00 (SC-SC)
3228 EVDW2= 5.114525E+01 WEIGHT= 1.593040D+00 (SC-p)
3229 EES= -1.000224E+02 WEIGHT= 7.153400D-01 (p-p)
3230 EVDWPP= -2.232399E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3231 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3232 EBE= -3.899427E+01 WEIGHT= 1.138730D+00 (bending)
3233 ESC= 6.074529E+01 WEIGHT= 1.625800D-01 (SC local)
3234 ETORS= 8.985932E+00 WEIGHT= 1.985990D+00 (torsional)
3235 ETORSD= -1.963411E+00 WEIGHT= 1.570690D+00 (double torsional)
3236 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3237 ECORR4= -7.628854E+01 WEIGHT= 4.288700D-01 (multi-body)
3238 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3239 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3240 EELLO= 2.874693E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3241 ETURN3= 1.922625E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3242 ETURN4= -1.775780E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3243 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3244 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3245 EDIHC= 0.000000E+00 (dihedral angle constraints)
3246 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3247 UCONST= 0.000000E+00 (Constraint energy)
3248 EDFAD= 5.491269-315 (DFA distance energy)
3249 EDFAT= 6.953158-310 (DFA torsion energy)
3250 EDFAN= 6.953158-310 (DFA NCa energy)
3251 EDFAB= 2.650815-317 (DFA Beta energy)
3252 ETOT= -8.637846E+01 (total)
3253 RMS deviation from the reference structure: 5.517
3254 % of native contacts: 33.333
3255 % of nonnative contacts: 80.000
3256 contact order: 0.230
3257 TM-score with the reference structure: 0.29
3258 Conformation # 86 read
3261 Conformation # 85 sumsl return code 4
3263 Virtual-chain energies:
3265 EVDW= -5.496483E+01 WEIGHT= 1.352790D+00 (SC-SC)
3266 EVDW2= 4.737495E+01 WEIGHT= 1.593040D+00 (SC-p)
3267 EES= -8.628896E+01 WEIGHT= 7.153400D-01 (p-p)
3268 EVDWPP= -3.645443E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3269 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3270 EBE= -3.798831E+01 WEIGHT= 1.138730D+00 (bending)
3271 ESC= 4.645872E+01 WEIGHT= 1.625800D-01 (SC local)
3272 ETORS= 1.100794E+01 WEIGHT= 1.985990D+00 (torsional)
3273 ETORSD= -4.124845E+00 WEIGHT= 1.570690D+00 (double torsional)
3274 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3275 ECORR4= -6.695107E+01 WEIGHT= 4.288700D-01 (multi-body)
3276 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3277 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3278 EELLO= -2.140425E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3279 ETURN3= 1.548896E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3280 ETURN4= 3.138638E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3281 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3282 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3283 EDIHC= 0.000000E+00 (dihedral angle constraints)
3284 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3285 UCONST= 0.000000E+00 (Constraint energy)
3286 EDFAD= 5.491269-315 (DFA distance energy)
3287 EDFAT= 6.953158-310 (DFA torsion energy)
3288 EDFAN= 6.953158-310 (DFA NCa energy)
3289 EDFAB= 2.650815-317 (DFA Beta energy)
3290 ETOT= -8.592375E+01 (total)
3291 RMS deviation from the reference structure: 3.788
3292 % of native contacts: 41.667
3293 % of nonnative contacts: 78.261
3294 contact order: 0.312
3295 TM-score with the reference structure: 0.25
3296 Conformation # 87 read
3299 Conformation # 86 sumsl return code 4
3301 Virtual-chain energies:
3303 EVDW= -5.151675E+01 WEIGHT= 1.352790D+00 (SC-SC)
3304 EVDW2= 5.153825E+01 WEIGHT= 1.593040D+00 (SC-p)
3305 EES= -1.001696E+02 WEIGHT= 7.153400D-01 (p-p)
3306 EVDWPP= -2.837889E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3307 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3308 EBE= -3.828980E+01 WEIGHT= 1.138730D+00 (bending)
3309 ESC= 3.395919E+01 WEIGHT= 1.625800D-01 (SC local)
3310 ETORS= 8.660517E+00 WEIGHT= 1.985990D+00 (torsional)
3311 ETORSD= 1.218463E+00 WEIGHT= 1.570690D+00 (double torsional)
3312 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3313 ECORR4= -7.406717E+01 WEIGHT= 4.288700D-01 (multi-body)
3314 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3315 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3316 EELLO= -5.610724E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3317 ETURN3= 1.647882E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3318 ETURN4= -4.451240E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3319 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3320 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3321 EDIHC= 0.000000E+00 (dihedral angle constraints)
3322 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3323 UCONST= 0.000000E+00 (Constraint energy)
3324 EDFAD= 5.491269-315 (DFA distance energy)
3325 EDFAT= 6.953158-310 (DFA torsion energy)
3326 EDFAN= 6.953158-310 (DFA NCa energy)
3327 EDFAB= 2.650815-317 (DFA Beta energy)
3328 ETOT= -8.924784E+01 (total)
3329 RMS deviation from the reference structure: 3.027
3330 % of native contacts: 41.667
3331 % of nonnative contacts: 76.190
3332 contact order: 0.323
3333 TM-score with the reference structure: 0.32
3334 Conformation # 88 read
3337 Conformation # 84 sumsl return code 4
3339 Virtual-chain energies:
3341 EVDW= -5.383932E+01 WEIGHT= 1.352790D+00 (SC-SC)
3342 EVDW2= 5.041252E+01 WEIGHT= 1.593040D+00 (SC-p)
3343 EES= -1.015163E+02 WEIGHT= 7.153400D-01 (p-p)
3344 EVDWPP= -2.501080E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3345 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3346 EBE= -3.771459E+01 WEIGHT= 1.138730D+00 (bending)
3347 ESC= 5.189949E+01 WEIGHT= 1.625800D-01 (SC local)
3348 ETORS= 8.859283E+00 WEIGHT= 1.985990D+00 (torsional)
3349 ETORSD= -4.275785E-01 WEIGHT= 1.570690D+00 (double torsional)
3350 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3351 ECORR4= -7.620882E+01 WEIGHT= 4.288700D-01 (multi-body)
3352 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3353 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3354 EELLO= -4.821388E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3355 ETURN3= 1.794374E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3356 ETURN4= -3.240153E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3357 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3358 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3359 EDIHC= 0.000000E+00 (dihedral angle constraints)
3360 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3361 UCONST= 0.000000E+00 (Constraint energy)
3362 EDFAD= 5.491269-315 (DFA distance energy)
3363 EDFAT= 6.953158-310 (DFA torsion energy)
3364 EDFAN= 6.953158-310 (DFA NCa energy)
3365 EDFAB= 2.650815-317 (DFA Beta energy)
3366 ETOT= -9.090063E+01 (total)
3367 RMS deviation from the reference structure: 2.049
3368 % of native contacts: 75.000
3369 % of nonnative contacts: 57.143
3370 contact order: 0.314
3371 TM-score with the reference structure: 0.31
3372 Conformation # 89 read
3375 Conformation # 88 sumsl return code 4
3377 Virtual-chain energies:
3379 EVDW= -5.659903E+01 WEIGHT= 1.352790D+00 (SC-SC)
3380 EVDW2= 5.510575E+01 WEIGHT= 1.593040D+00 (SC-p)
3381 EES= -1.109343E+02 WEIGHT= 7.153400D-01 (p-p)
3382 EVDWPP= -2.466897E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3383 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3384 EBE= -3.977390E+01 WEIGHT= 1.138730D+00 (bending)
3385 ESC= 4.986767E+01 WEIGHT= 1.625800D-01 (SC local)
3386 ETORS= 1.305861E+01 WEIGHT= 1.985990D+00 (torsional)
3387 ETORSD= -1.570175E+00 WEIGHT= 1.570690D+00 (double torsional)
3388 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3389 ECORR4= -8.425735E+01 WEIGHT= 4.288700D-01 (multi-body)
3390 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3391 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3392 EELLO= -2.296543E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3393 ETURN3= 1.984228E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3394 ETURN4= -5.540303E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
3395 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3396 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3397 EDIHC= 0.000000E+00 (dihedral angle constraints)
3398 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3399 UCONST= 0.000000E+00 (Constraint energy)
3400 EDFAD= 5.491269-315 (DFA distance energy)
3401 EDFAT= 6.953158-310 (DFA torsion energy)
3402 EDFAN= 6.953158-310 (DFA NCa energy)
3403 EDFAB= 2.650815-317 (DFA Beta energy)
3404 ETOT= -8.805042E+01 (total)
3405 RMS deviation from the reference structure: 2.700
3406 % of native contacts: 50.000
3407 % of nonnative contacts: 70.000
3408 contact order: 0.332
3409 TM-score with the reference structure: 0.30
3410 Conformation # 90 read
3413 Conformation # 87 sumsl return code 4
3415 Virtual-chain energies:
3417 EVDW= -5.210634E+01 WEIGHT= 1.352790D+00 (SC-SC)
3418 EVDW2= 4.846949E+01 WEIGHT= 1.593040D+00 (SC-p)
3419 EES= -9.843086E+01 WEIGHT= 7.153400D-01 (p-p)
3420 EVDWPP= -2.025934E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3421 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3422 EBE= -3.642635E+01 WEIGHT= 1.138730D+00 (bending)
3423 ESC= 5.606879E+01 WEIGHT= 1.625800D-01 (SC local)
3424 ETORS= 1.144374E+01 WEIGHT= 1.985990D+00 (torsional)
3425 ETORSD= -1.792157E+00 WEIGHT= 1.570690D+00 (double torsional)
3426 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3427 ECORR4= -7.031317E+01 WEIGHT= 4.288700D-01 (multi-body)
3428 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3429 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3430 EELLO= -2.755653E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3431 ETURN3= 1.642101E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3432 ETURN4= -3.240078E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3433 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3434 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3435 EDIHC= 0.000000E+00 (dihedral angle constraints)
3436 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3437 UCONST= 0.000000E+00 (Constraint energy)
3438 EDFAD= 5.491269-315 (DFA distance energy)
3439 EDFAT= 6.953158-310 (DFA torsion energy)
3440 EDFAN= 6.953158-310 (DFA NCa energy)
3441 EDFAB= 2.650815-317 (DFA Beta energy)
3442 ETOT= -8.347934E+01 (total)
3443 RMS deviation from the reference structure: 3.861
3444 % of native contacts: 33.333
3445 % of nonnative contacts: 78.947
3446 contact order: 0.285
3447 TM-score with the reference structure: 0.27
3448 Conformation # 91 read
3451 Conformation # 90 sumsl return code 4
3453 Virtual-chain energies:
3455 EVDW= -5.071208E+01 WEIGHT= 1.352790D+00 (SC-SC)
3456 EVDW2= 4.534097E+01 WEIGHT= 1.593040D+00 (SC-p)
3457 EES= -8.866029E+01 WEIGHT= 7.153400D-01 (p-p)
3458 EVDWPP= -1.940096E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3459 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3460 EBE= -3.866068E+01 WEIGHT= 1.138730D+00 (bending)
3461 ESC= 4.522199E+01 WEIGHT= 1.625800D-01 (SC local)
3462 ETORS= 7.788583E+00 WEIGHT= 1.985990D+00 (torsional)
3463 ETORSD= -2.193343E+00 WEIGHT= 1.570690D+00 (double torsional)
3464 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3465 ECORR4= -6.683117E+01 WEIGHT= 4.288700D-01 (multi-body)
3466 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3467 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3468 EELLO= -4.065909E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3469 ETURN3= 1.787543E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3470 ETURN4= -1.817383E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3471 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3472 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3473 EDIHC= 0.000000E+00 (dihedral angle constraints)
3474 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3475 UCONST= 0.000000E+00 (Constraint energy)
3476 EDFAD= 5.491269-315 (DFA distance energy)
3477 EDFAT= 6.953158-310 (DFA torsion energy)
3478 EDFAN= 6.953158-310 (DFA NCa energy)
3479 EDFAB= 2.650815-317 (DFA Beta energy)
3480 ETOT= -8.700782E+01 (total)
3481 RMS deviation from the reference structure: 6.747
3482 % of native contacts: 25.000
3483 % of nonnative contacts: 81.250
3484 contact order: 0.250
3485 TM-score with the reference structure: 0.29
3486 Conformation # 92 read
3489 Conformation # 91 sumsl return code 4
3491 Virtual-chain energies:
3493 EVDW= -5.146604E+01 WEIGHT= 1.352790D+00 (SC-SC)
3494 EVDW2= 5.202908E+01 WEIGHT= 1.593040D+00 (SC-p)
3495 EES= -9.715811E+01 WEIGHT= 7.153400D-01 (p-p)
3496 EVDWPP= -3.629966E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3497 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3498 EBE= -3.906362E+01 WEIGHT= 1.138730D+00 (bending)
3499 ESC= 3.600431E+01 WEIGHT= 1.625800D-01 (SC local)
3500 ETORS= 1.031970E+01 WEIGHT= 1.985990D+00 (torsional)
3501 ETORSD= -2.479356E+00 WEIGHT= 1.570690D+00 (double torsional)
3502 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3503 ECORR4= -7.306525E+01 WEIGHT= 4.288700D-01 (multi-body)
3504 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3505 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3506 EELLO= -2.842392E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3507 ETURN3= 1.622524E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3508 ETURN4= 1.432079E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3509 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3510 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3511 EDIHC= 0.000000E+00 (dihedral angle constraints)
3512 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3513 UCONST= 0.000000E+00 (Constraint energy)
3514 EDFAD= 5.491269-315 (DFA distance energy)
3515 EDFAT= 6.953158-310 (DFA torsion energy)
3516 EDFAN= 6.953158-310 (DFA NCa energy)
3517 EDFAB= 2.650815-317 (DFA Beta energy)
3518 ETOT= -8.586317E+01 (total)
3519 RMS deviation from the reference structure: 3.982
3520 % of native contacts: 16.667
3521 % of nonnative contacts: 88.889
3522 contact order: 0.270
3523 TM-score with the reference structure: 0.28
3524 Conformation # 93 read
3527 Conformation # 81 sumsl return code 4
3529 Virtual-chain energies:
3531 EVDW= -5.208552E+01 WEIGHT= 1.352790D+00 (SC-SC)
3532 EVDW2= 5.149303E+01 WEIGHT= 1.593040D+00 (SC-p)
3533 EES= -1.046039E+02 WEIGHT= 7.153400D-01 (p-p)
3534 EVDWPP= -2.534714E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3535 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3536 EBE= -3.622360E+01 WEIGHT= 1.138730D+00 (bending)
3537 ESC= 4.707095E+01 WEIGHT= 1.625800D-01 (SC local)
3538 ETORS= 9.153770E+00 WEIGHT= 1.985990D+00 (torsional)
3539 ETORSD= -4.547313E-01 WEIGHT= 1.570690D+00 (double torsional)
3540 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3541 ECORR4= -7.751411E+01 WEIGHT= 4.288700D-01 (multi-body)
3542 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3543 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3544 EELLO= -6.090236E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3545 ETURN3= 1.859781E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3546 ETURN4= -3.169534E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3547 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3548 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3549 EDIHC= 0.000000E+00 (dihedral angle constraints)
3550 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3551 UCONST= 0.000000E+00 (Constraint energy)
3552 EDFAD= 5.491269-315 (DFA distance energy)
3553 EDFAT= 6.953158-310 (DFA torsion energy)
3554 EDFAN= 6.953158-310 (DFA NCa energy)
3555 EDFAB= 2.650815-317 (DFA Beta energy)
3556 ETOT= -8.721159E+01 (total)
3557 RMS deviation from the reference structure: 2.044
3558 % of native contacts: 66.667
3559 % of nonnative contacts: 57.895
3560 contact order: 0.289
3561 TM-score with the reference structure: 0.31
3562 Conformation # 94 read
3565 Conformation # 92 sumsl return code 4
3567 Virtual-chain energies:
3569 EVDW= -5.303220E+01 WEIGHT= 1.352790D+00 (SC-SC)
3570 EVDW2= 4.180239E+01 WEIGHT= 1.593040D+00 (SC-p)
3571 EES= -7.717061E+01 WEIGHT= 7.153400D-01 (p-p)
3572 EVDWPP= -2.519101E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3573 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3574 EBE= -3.811720E+01 WEIGHT= 1.138730D+00 (bending)
3575 ESC= 4.025393E+01 WEIGHT= 1.625800D-01 (SC local)
3576 ETORS= 8.394769E+00 WEIGHT= 1.985990D+00 (torsional)
3577 ETORSD= -1.470874E+00 WEIGHT= 1.570690D+00 (double torsional)
3578 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3579 ECORR4= -5.621015E+01 WEIGHT= 4.288700D-01 (multi-body)
3580 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3581 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3582 EELLO= 2.533027E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3583 ETURN3= 1.420583E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3584 ETURN4= -3.014127E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3585 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3586 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3587 EDIHC= 0.000000E+00 (dihedral angle constraints)
3588 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3589 UCONST= 0.000000E+00 (Constraint energy)
3590 EDFAD= 5.491269-315 (DFA distance energy)
3591 EDFAT= 6.953158-310 (DFA torsion energy)
3592 EDFAN= 6.953158-310 (DFA NCa energy)
3593 EDFAB= 2.650815-317 (DFA Beta energy)
3594 ETOT= -8.744387E+01 (total)
3595 RMS deviation from the reference structure: 4.453
3596 % of native contacts: 16.667
3597 % of nonnative contacts: 90.476
3598 contact order: 0.422
3599 TM-score with the reference structure: 0.30
3600 Conformation # 95 read
3603 Conformation # 93 sumsl return code 4
3605 Virtual-chain energies:
3607 EVDW= -5.226614E+01 WEIGHT= 1.352790D+00 (SC-SC)
3608 EVDW2= 4.745809E+01 WEIGHT= 1.593040D+00 (SC-p)
3609 EES= -9.028931E+01 WEIGHT= 7.153400D-01 (p-p)
3610 EVDWPP= -2.597513E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3611 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3612 EBE= -3.931165E+01 WEIGHT= 1.138730D+00 (bending)
3613 ESC= 4.317458E+01 WEIGHT= 1.625800D-01 (SC local)
3614 ETORS= 8.154076E+00 WEIGHT= 1.985990D+00 (torsional)
3615 ETORSD= -1.785145E+00 WEIGHT= 1.570690D+00 (double torsional)
3616 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3617 ECORR4= -6.515554E+01 WEIGHT= 4.288700D-01 (multi-body)
3618 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3619 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3620 EELLO= -7.990279E-02 WEIGHT= 1.603600D-01 (electrostatic-local)
3621 ETURN3= 1.776963E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3622 ETURN4= 1.350796E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3623 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3624 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3625 EDIHC= 0.000000E+00 (dihedral angle constraints)
3626 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3627 UCONST= 0.000000E+00 (Constraint energy)
3628 EDFAD= 5.491269-315 (DFA distance energy)
3629 EDFAT= 6.953158-310 (DFA torsion energy)
3630 EDFAN= 6.953158-310 (DFA NCa energy)
3631 EDFAB= 2.650815-317 (DFA Beta energy)
3632 ETOT= -8.407985E+01 (total)
3633 RMS deviation from the reference structure: 4.627
3634 % of native contacts: 41.667
3635 % of nonnative contacts: 75.000
3636 contact order: 0.366
3637 TM-score with the reference structure: 0.30
3638 Conformation # 96 read
3641 Conformation # 89 sumsl return code 4
3643 Virtual-chain energies:
3645 EVDW= -5.216780E+01 WEIGHT= 1.352790D+00 (SC-SC)
3646 EVDW2= 4.605876E+01 WEIGHT= 1.593040D+00 (SC-p)
3647 EES= -9.915539E+01 WEIGHT= 7.153400D-01 (p-p)
3648 EVDWPP= -1.864593E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3649 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3650 EBE= -3.764524E+01 WEIGHT= 1.138730D+00 (bending)
3651 ESC= 3.728191E+01 WEIGHT= 1.625800D-01 (SC local)
3652 ETORS= 9.457121E+00 WEIGHT= 1.985990D+00 (torsional)
3653 ETORSD= -5.867677E-01 WEIGHT= 1.570690D+00 (double torsional)
3654 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3655 ECORR4= -7.196797E+01 WEIGHT= 4.288700D-01 (multi-body)
3656 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3657 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3658 EELLO= -3.961794E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3659 ETURN3= 2.051707E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3660 ETURN4= -2.748902E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3661 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3662 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3663 EDIHC= 0.000000E+00 (dihedral angle constraints)
3664 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3665 UCONST= 0.000000E+00 (Constraint energy)
3666 EDFAD= 5.491269-315 (DFA distance energy)
3667 EDFAT= 6.953158-310 (DFA torsion energy)
3668 EDFAN= 6.953158-310 (DFA NCa energy)
3669 EDFAB= 2.650815-317 (DFA Beta energy)
3670 ETOT= -8.789903E+01 (total)
3671 RMS deviation from the reference structure: 3.018
3672 % of native contacts: 33.333
3673 % of nonnative contacts: 80.000
3674 contact order: 0.311
3675 TM-score with the reference structure: 0.31
3676 Conformation # 97 read
3679 Conformation # 95 sumsl return code 4
3681 Virtual-chain energies:
3683 EVDW= -5.158360E+01 WEIGHT= 1.352790D+00 (SC-SC)
3684 EVDW2= 3.240418E+01 WEIGHT= 1.593040D+00 (SC-p)
3685 EES= -5.123465E+01 WEIGHT= 7.153400D-01 (p-p)
3686 EVDWPP= -3.257724E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3687 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3688 EBE= -3.959967E+01 WEIGHT= 1.138730D+00 (bending)
3689 ESC= 3.889849E+01 WEIGHT= 1.625800D-01 (SC local)
3690 ETORS= 5.591502E+00 WEIGHT= 1.985990D+00 (torsional)
3691 ETORSD= 2.569923E-01 WEIGHT= 1.570690D+00 (double torsional)
3692 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3693 ECORR4= -3.446819E+01 WEIGHT= 4.288700D-01 (multi-body)
3694 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3695 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3696 EELLO= 1.747673E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
3697 ETURN3= 1.036650E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3698 ETURN4= -3.305998E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3699 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3700 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3701 EDIHC= 0.000000E+00 (dihedral angle constraints)
3702 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3703 UCONST= 0.000000E+00 (Constraint energy)
3704 EDFAD= 5.491269-315 (DFA distance energy)
3705 EDFAT= 6.953158-310 (DFA torsion energy)
3706 EDFAN= 6.953158-310 (DFA NCa energy)
3707 EDFAB= 2.650815-317 (DFA Beta energy)
3708 ETOT= -8.522942E+01 (total)
3709 RMS deviation from the reference structure: 6.253
3710 % of native contacts: 16.667
3711 % of nonnative contacts: 87.500
3712 contact order: 0.327
3713 TM-score with the reference structure: 0.23
3714 Conformation # 98 read
3717 Conformation # 97 sumsl return code 4
3719 Virtual-chain energies:
3721 EVDW= -5.545589E+01 WEIGHT= 1.352790D+00 (SC-SC)
3722 EVDW2= 5.332955E+01 WEIGHT= 1.593040D+00 (SC-p)
3723 EES= -9.803422E+01 WEIGHT= 7.153400D-01 (p-p)
3724 EVDWPP= -3.502614E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3725 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3726 EBE= -3.879955E+01 WEIGHT= 1.138730D+00 (bending)
3727 ESC= 5.383544E+01 WEIGHT= 1.625800D-01 (SC local)
3728 ETORS= 1.130221E+01 WEIGHT= 1.985990D+00 (torsional)
3729 ETORSD= -3.385504E+00 WEIGHT= 1.570690D+00 (double torsional)
3730 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3731 ECORR4= -7.478508E+01 WEIGHT= 4.288700D-01 (multi-body)
3732 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3733 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3734 EELLO= -6.288442E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3735 ETURN3= 1.634837E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3736 ETURN4= 1.152505E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3737 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3738 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3739 EDIHC= 0.000000E+00 (dihedral angle constraints)
3740 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3741 UCONST= 0.000000E+00 (Constraint energy)
3742 EDFAD= 5.491269-315 (DFA distance energy)
3743 EDFAT= 6.953158-310 (DFA torsion energy)
3744 EDFAN= 6.953158-310 (DFA NCa energy)
3745 EDFAB= 2.650815-317 (DFA Beta energy)
3746 ETOT= -8.721072E+01 (total)
3747 RMS deviation from the reference structure: 2.819
3748 % of native contacts: 58.333
3749 % of nonnative contacts: 72.000
3750 contact order: 0.373
3751 TM-score with the reference structure: 0.29
3752 Conformation # 99 read
3755 Conformation # 96 sumsl return code 4
3757 Virtual-chain energies:
3759 EVDW= -5.326091E+01 WEIGHT= 1.352790D+00 (SC-SC)
3760 EVDW2= 4.708400E+01 WEIGHT= 1.593040D+00 (SC-p)
3761 EES= -8.976567E+01 WEIGHT= 7.153400D-01 (p-p)
3762 EVDWPP= -2.956288E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3763 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3764 EBE= -3.744768E+01 WEIGHT= 1.138730D+00 (bending)
3765 ESC= 4.796956E+01 WEIGHT= 1.625800D-01 (SC local)
3766 ETORS= 7.044781E+00 WEIGHT= 1.985990D+00 (torsional)
3767 ETORSD= 3.133864E-01 WEIGHT= 1.570690D+00 (double torsional)
3768 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3769 ECORR4= -6.799923E+01 WEIGHT= 4.288700D-01 (multi-body)
3770 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3771 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3772 EELLO= -4.442120E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3773 ETURN3= 1.585610E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3774 ETURN4= -1.833803E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3775 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3776 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3777 EDIHC= 0.000000E+00 (dihedral angle constraints)
3778 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3779 UCONST= 0.000000E+00 (Constraint energy)
3780 EDFAD= 5.491269-315 (DFA distance energy)
3781 EDFAT= 6.953158-310 (DFA torsion energy)
3782 EDFAN= 6.953158-310 (DFA NCa energy)
3783 EDFAB= 2.650815-317 (DFA Beta energy)
3784 ETOT= -8.931648E+01 (total)
3785 RMS deviation from the reference structure: 3.239
3786 % of native contacts: 66.667
3787 % of nonnative contacts: 61.905
3788 contact order: 0.264
3789 TM-score with the reference structure: 0.31
3790 Conformation # 100 read
3793 Conformation # 94 sumsl return code 4
3795 Virtual-chain energies:
3797 EVDW= -5.305504E+01 WEIGHT= 1.352790D+00 (SC-SC)
3798 EVDW2= 4.040257E+01 WEIGHT= 1.593040D+00 (SC-p)
3799 EES= -7.338760E+01 WEIGHT= 7.153400D-01 (p-p)
3800 EVDWPP= -2.906528E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3801 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3802 EBE= -3.507829E+01 WEIGHT= 1.138730D+00 (bending)
3803 ESC= 3.942963E+01 WEIGHT= 1.625800D-01 (SC local)
3804 ETORS= 5.760565E+00 WEIGHT= 1.985990D+00 (torsional)
3805 ETORSD= -7.554845E-01 WEIGHT= 1.570690D+00 (double torsional)
3806 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3807 ECORR4= -5.481652E+01 WEIGHT= 4.288700D-01 (multi-body)
3808 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3809 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3810 EELLO= -1.535032E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3811 ETURN3= 1.537199E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3812 ETURN4= -6.138054E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
3813 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3814 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3815 EDIHC= 0.000000E+00 (dihedral angle constraints)
3816 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3817 UCONST= 0.000000E+00 (Constraint energy)
3818 EDFAD= 5.491269-315 (DFA distance energy)
3819 EDFAT= 6.953158-310 (DFA torsion energy)
3820 EDFAN= 6.953158-310 (DFA NCa energy)
3821 EDFAB= 2.650815-317 (DFA Beta energy)
3822 ETOT= -8.471788E+01 (total)
3823 RMS deviation from the reference structure: 6.453
3824 % of native contacts: 33.333
3825 % of nonnative contacts: 80.000
3826 contact order: 0.259
3827 TM-score with the reference structure: 0.26
3828 Conformation # 101 read
3831 Conformation # 100 sumsl return code 4
3833 Virtual-chain energies:
3835 EVDW= -5.724607E+01 WEIGHT= 1.352790D+00 (SC-SC)
3836 EVDW2= 5.144378E+01 WEIGHT= 1.593040D+00 (SC-p)
3837 EES= -9.716260E+01 WEIGHT= 7.153400D-01 (p-p)
3838 EVDWPP= -2.743794E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3839 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3840 EBE= -3.757445E+01 WEIGHT= 1.138730D+00 (bending)
3841 ESC= 4.796478E+01 WEIGHT= 1.625800D-01 (SC local)
3842 ETORS= 1.260098E+01 WEIGHT= 1.985990D+00 (torsional)
3843 ETORSD= -2.875661E+00 WEIGHT= 1.570690D+00 (double torsional)
3844 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3845 ECORR4= -7.403382E+01 WEIGHT= 4.288700D-01 (multi-body)
3846 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3847 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3848 EELLO= -7.543812E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3849 ETURN3= 1.718962E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3850 ETURN4= -2.812276E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3851 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3852 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3853 EDIHC= 0.000000E+00 (dihedral angle constraints)
3854 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3855 UCONST= 0.000000E+00 (Constraint energy)
3856 EDFAD= 5.491269-315 (DFA distance energy)
3857 EDFAT= 6.953158-310 (DFA torsion energy)
3858 EDFAN= 6.953158-310 (DFA NCa energy)
3859 EDFAB= 2.650815-317 (DFA Beta energy)
3860 ETOT= -8.841506E+01 (total)
3861 RMS deviation from the reference structure: 3.317
3862 % of native contacts: 33.333
3863 % of nonnative contacts: 78.947
3864 contact order: 0.354
3865 TM-score with the reference structure: 0.29
3866 Conformation # 102 read
3869 Conformation # 101 sumsl return code 4
3871 Virtual-chain energies:
3873 EVDW= -5.535100E+01 WEIGHT= 1.352790D+00 (SC-SC)
3874 EVDW2= 4.839144E+01 WEIGHT= 1.593040D+00 (SC-p)
3875 EES= -9.759179E+01 WEIGHT= 7.153400D-01 (p-p)
3876 EVDWPP= -1.979413E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3877 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3878 EBE= -3.837418E+01 WEIGHT= 1.138730D+00 (bending)
3879 ESC= 6.252031E+01 WEIGHT= 1.625800D-01 (SC local)
3880 ETORS= 8.699362E+00 WEIGHT= 1.985990D+00 (torsional)
3881 ETORSD= -4.486982E-01 WEIGHT= 1.570690D+00 (double torsional)
3882 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3883 ECORR4= -7.327375E+01 WEIGHT= 4.288700D-01 (multi-body)
3884 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3885 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3886 EELLO= -3.023829E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3887 ETURN3= 1.939267E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3888 ETURN4= -3.329018E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3889 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3890 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3891 EDIHC= 0.000000E+00 (dihedral angle constraints)
3892 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3893 UCONST= 0.000000E+00 (Constraint energy)
3894 EDFAD= 5.491269-315 (DFA distance energy)
3895 EDFAT= 6.953158-310 (DFA torsion energy)
3896 EDFAN= 6.953158-310 (DFA NCa energy)
3897 EDFAB= 2.650815-317 (DFA Beta energy)
3898 ETOT= -8.820701E+01 (total)
3899 RMS deviation from the reference structure: 6.768
3900 % of native contacts: 33.333
3901 % of nonnative contacts: 78.947
3902 contact order: 0.239
3903 TM-score with the reference structure: 0.30
3904 Conformation # 103 read
3907 Conformation # 98 sumsl return code 4
3909 Virtual-chain energies:
3911 EVDW= -5.023063E+01 WEIGHT= 1.352790D+00 (SC-SC)
3912 EVDW2= 4.036288E+01 WEIGHT= 1.593040D+00 (SC-p)
3913 EES= -7.829780E+01 WEIGHT= 7.153400D-01 (p-p)
3914 EVDWPP= -2.090614E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3915 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3916 EBE= -3.855234E+01 WEIGHT= 1.138730D+00 (bending)
3917 ESC= 3.318744E+01 WEIGHT= 1.625800D-01 (SC local)
3918 ETORS= 9.763032E+00 WEIGHT= 1.985990D+00 (torsional)
3919 ETORSD= -2.230908E+00 WEIGHT= 1.570690D+00 (double torsional)
3920 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3921 ECORR4= -5.963788E+01 WEIGHT= 4.288700D-01 (multi-body)
3922 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3923 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3924 EELLO= 1.842996E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3925 ETURN3= 1.489684E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3926 ETURN4= -2.092994E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3927 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3928 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3929 EDIHC= 0.000000E+00 (dihedral angle constraints)
3930 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3931 UCONST= 0.000000E+00 (Constraint energy)
3932 EDFAD= 5.491269-315 (DFA distance energy)
3933 EDFAT= 6.953158-310 (DFA torsion energy)
3934 EDFAN= 6.953158-310 (DFA NCa energy)
3935 EDFAB= 2.650815-317 (DFA Beta energy)
3936 ETOT= -8.619176E+01 (total)
3937 RMS deviation from the reference structure: 4.544
3938 % of native contacts: 16.667
3939 % of nonnative contacts: 86.667
3940 contact order: 0.412
3941 TM-score with the reference structure: 0.31
3942 Conformation # 104 read
3945 Conformation # 102 sumsl return code 4
3947 Virtual-chain energies:
3949 EVDW= -5.143525E+01 WEIGHT= 1.352790D+00 (SC-SC)
3950 EVDW2= 5.330895E+01 WEIGHT= 1.593040D+00 (SC-p)
3951 EES= -1.094929E+02 WEIGHT= 7.153400D-01 (p-p)
3952 EVDWPP= -2.933403E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3953 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3954 EBE= -3.827661E+01 WEIGHT= 1.138730D+00 (bending)
3955 ESC= 4.515089E+01 WEIGHT= 1.625800D-01 (SC local)
3956 ETORS= 1.127806E+01 WEIGHT= 1.985990D+00 (torsional)
3957 ETORSD= -8.212386E-01 WEIGHT= 1.570690D+00 (double torsional)
3958 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3959 ECORR4= -8.108285E+01 WEIGHT= 4.288700D-01 (multi-body)
3960 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3961 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3962 EELLO= -4.450661E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3963 ETURN3= 1.904740E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3964 ETURN4= -2.458355E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3965 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3966 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3967 EDIHC= 0.000000E+00 (dihedral angle constraints)
3968 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3969 UCONST= 0.000000E+00 (Constraint energy)
3970 EDFAD= 5.491269-315 (DFA distance energy)
3971 EDFAT= 6.953158-310 (DFA torsion energy)
3972 EDFAN= 6.953158-310 (DFA NCa energy)
3973 EDFAB= 2.650815-317 (DFA Beta energy)
3974 ETOT= -8.643466E+01 (total)
3975 RMS deviation from the reference structure: 2.882
3976 % of native contacts: 25.000
3977 % of nonnative contacts: 84.211
3978 contact order: 0.203
3979 TM-score with the reference structure: 0.27
3980 Conformation # 105 read
3983 Conformation # 104 sumsl return code 4
3985 Virtual-chain energies:
3987 EVDW= -5.656538E+01 WEIGHT= 1.352790D+00 (SC-SC)
3988 EVDW2= 5.258591E+01 WEIGHT= 1.593040D+00 (SC-p)
3989 EES= -1.034152E+02 WEIGHT= 7.153400D-01 (p-p)
3990 EVDWPP= -2.375174E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3991 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3992 EBE= -3.793318E+01 WEIGHT= 1.138730D+00 (bending)
3993 ESC= 4.643550E+01 WEIGHT= 1.625800D-01 (SC local)
3994 ETORS= 9.281829E+00 WEIGHT= 1.985990D+00 (torsional)
3995 ETORSD= -1.594245E-01 WEIGHT= 1.570690D+00 (double torsional)
3996 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3997 ECORR4= -7.810727E+01 WEIGHT= 4.288700D-01 (multi-body)
3998 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3999 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4000 EELLO= -5.733387E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4001 ETURN3= 1.809409E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4002 ETURN4= -2.663255E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4003 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4004 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4005 EDIHC= 0.000000E+00 (dihedral angle constraints)
4006 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4007 UCONST= 0.000000E+00 (Constraint energy)
4008 EDFAD= 5.491269-315 (DFA distance energy)
4009 EDFAT= 6.953158-310 (DFA torsion energy)
4010 EDFAN= 6.953158-310 (DFA NCa energy)
4011 EDFAB= 2.650815-317 (DFA Beta energy)
4012 ETOT= -9.254286E+01 (total)
4013 RMS deviation from the reference structure: 2.382
4014 % of native contacts: 41.667
4015 % of nonnative contacts: 76.190
4016 contact order: 0.323
4017 TM-score with the reference structure: 0.29
4018 Conformation # 106 read
4021 Conformation # 105 sumsl return code 4
4023 Virtual-chain energies:
4025 EVDW= -5.289427E+01 WEIGHT= 1.352790D+00 (SC-SC)
4026 EVDW2= 3.605960E+01 WEIGHT= 1.593040D+00 (SC-p)
4027 EES= -6.295068E+01 WEIGHT= 7.153400D-01 (p-p)
4028 EVDWPP= -2.980231E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4029 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4030 EBE= -3.718328E+01 WEIGHT= 1.138730D+00 (bending)
4031 ESC= 4.526407E+01 WEIGHT= 1.625800D-01 (SC local)
4032 ETORS= 5.806244E+00 WEIGHT= 1.985990D+00 (torsional)
4033 ETORSD= -1.783770E+00 WEIGHT= 1.570690D+00 (double torsional)
4034 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4035 ECORR4= -4.623660E+01 WEIGHT= 4.288700D-01 (multi-body)
4036 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4037 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4038 EELLO= -2.962557E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4039 ETURN3= 1.398270E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4040 ETURN4= -1.266852E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4041 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4042 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4043 EDIHC= 0.000000E+00 (dihedral angle constraints)
4044 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4045 UCONST= 0.000000E+00 (Constraint energy)
4046 EDFAD= 5.491269-315 (DFA distance energy)
4047 EDFAT= 6.953158-310 (DFA torsion energy)
4048 EDFAN= 6.953158-310 (DFA NCa energy)
4049 EDFAB= 2.650815-317 (DFA Beta energy)
4050 ETOT= -8.633541E+01 (total)
4051 RMS deviation from the reference structure: 4.495
4052 % of native contacts: 41.667
4053 % of nonnative contacts: 75.000
4054 contact order: 0.370
4055 TM-score with the reference structure: 0.28
4056 Conformation # 107 read
4059 Conformation # 74 sumsl return code 4
4061 Virtual-chain energies:
4063 EVDW= -5.160989E+01 WEIGHT= 1.352790D+00 (SC-SC)
4064 EVDW2= 4.712138E+01 WEIGHT= 1.593040D+00 (SC-p)
4065 EES= -9.602211E+01 WEIGHT= 7.153400D-01 (p-p)
4066 EVDWPP= -2.953271E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4067 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4068 EBE= -3.820742E+01 WEIGHT= 1.138730D+00 (bending)
4069 ESC= 4.485379E+01 WEIGHT= 1.625800D-01 (SC local)
4070 ETORS= 8.983691E+00 WEIGHT= 1.985990D+00 (torsional)
4071 ETORSD= 2.219656E+00 WEIGHT= 1.570690D+00 (double torsional)
4072 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4073 ECORR4= -7.176673E+01 WEIGHT= 4.288700D-01 (multi-body)
4074 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4075 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4076 EELLO= -5.653175E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4077 ETURN3= 1.842888E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4078 ETURN4= -5.271701E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4079 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4080 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4081 EDIHC= 0.000000E+00 (dihedral angle constraints)
4082 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4083 UCONST= 0.000000E+00 (Constraint energy)
4084 EDFAD= 5.491269-315 (DFA distance energy)
4085 EDFAT= 6.953158-310 (DFA torsion energy)
4086 EDFAN= 6.953158-310 (DFA NCa energy)
4087 EDFAB= 2.650815-317 (DFA Beta energy)
4088 ETOT= -8.576844E+01 (total)
4089 RMS deviation from the reference structure: 2.441
4090 % of native contacts: 41.667
4091 % of nonnative contacts: 76.190
4092 contact order: 0.353
4093 TM-score with the reference structure: 0.36
4094 Conformation # 108 read
4097 Conformation # 106 sumsl return code 4
4099 Virtual-chain energies:
4101 EVDW= -5.302326E+01 WEIGHT= 1.352790D+00 (SC-SC)
4102 EVDW2= 4.551519E+01 WEIGHT= 1.593040D+00 (SC-p)
4103 EES= -9.062950E+01 WEIGHT= 7.153400D-01 (p-p)
4104 EVDWPP= -1.814223E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4105 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4106 EBE= -3.701165E+01 WEIGHT= 1.138730D+00 (bending)
4107 ESC= 4.226743E+01 WEIGHT= 1.625800D-01 (SC local)
4108 ETORS= 9.326678E+00 WEIGHT= 1.985990D+00 (torsional)
4109 ETORSD= 5.504132E-01 WEIGHT= 1.570690D+00 (double torsional)
4110 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4111 ECORR4= -6.826524E+01 WEIGHT= 4.288700D-01 (multi-body)
4112 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4113 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4114 EELLO= -1.372321E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4115 ETURN3= 1.749307E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4116 ETURN4= -2.991077E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4117 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4118 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4119 EDIHC= 0.000000E+00 (dihedral angle constraints)
4120 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4121 UCONST= 0.000000E+00 (Constraint energy)
4122 EDFAD= 5.491269-315 (DFA distance energy)
4123 EDFAT= 6.953158-310 (DFA torsion energy)
4124 EDFAN= 6.953158-310 (DFA NCa energy)
4125 EDFAB= 2.650815-317 (DFA Beta energy)
4126 ETOT= -8.396620E+01 (total)
4127 RMS deviation from the reference structure: 5.572
4128 % of native contacts: 33.333
4129 % of nonnative contacts: 81.818
4130 contact order: 0.320
4131 TM-score with the reference structure: 0.32
4132 Conformation # 109 read
4135 Conformation # 107 sumsl return code 4
4137 Virtual-chain energies:
4139 EVDW= -5.264810E+01 WEIGHT= 1.352790D+00 (SC-SC)
4140 EVDW2= 4.669071E+01 WEIGHT= 1.593040D+00 (SC-p)
4141 EES= -9.895333E+01 WEIGHT= 7.153400D-01 (p-p)
4142 EVDWPP= -1.958729E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4143 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4144 EBE= -3.920952E+01 WEIGHT= 1.138730D+00 (bending)
4145 ESC= 3.800744E+01 WEIGHT= 1.625800D-01 (SC local)
4146 ETORS= 9.542073E+00 WEIGHT= 1.985990D+00 (torsional)
4147 ETORSD= -6.834831E-01 WEIGHT= 1.570690D+00 (double torsional)
4148 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4149 ECORR4= -7.181027E+01 WEIGHT= 4.288700D-01 (multi-body)
4150 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4151 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4152 EELLO= -4.270745E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4153 ETURN3= 2.046080E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4154 ETURN4= -2.835284E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4155 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4156 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4157 EDIHC= 0.000000E+00 (dihedral angle constraints)
4158 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4159 UCONST= 0.000000E+00 (Constraint energy)
4160 EDFAD= 5.491269-315 (DFA distance energy)
4161 EDFAT= 6.953158-310 (DFA torsion energy)
4162 EDFAN= 6.953158-310 (DFA NCa energy)
4163 EDFAB= 2.650815-317 (DFA Beta energy)
4164 ETOT= -8.928515E+01 (total)
4165 RMS deviation from the reference structure: 3.100
4166 % of native contacts: 41.667
4167 % of nonnative contacts: 75.000
4168 contact order: 0.330
4169 TM-score with the reference structure: 0.31
4170 Conformation # 110 read
4173 Conformation # 76 sumsl return code 4
4175 Virtual-chain energies:
4177 EVDW= -5.100546E+01 WEIGHT= 1.352790D+00 (SC-SC)
4178 EVDW2= 4.225860E+01 WEIGHT= 1.593040D+00 (SC-p)
4179 EES= -8.688269E+01 WEIGHT= 7.153400D-01 (p-p)
4180 EVDWPP= -1.518619E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4181 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4182 EBE= -3.920444E+01 WEIGHT= 1.138730D+00 (bending)
4183 ESC= 4.608150E+01 WEIGHT= 1.625800D-01 (SC local)
4184 ETORS= 9.241781E+00 WEIGHT= 1.985990D+00 (torsional)
4185 ETORSD= -1.790444E+00 WEIGHT= 1.570690D+00 (double torsional)
4186 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4187 ECORR4= -6.548464E+01 WEIGHT= 4.288700D-01 (multi-body)
4188 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4189 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4190 EELLO= -1.115284E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4191 ETURN3= 1.801226E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4192 ETURN4= -3.038171E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4193 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4194 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4195 EDIHC= 0.000000E+00 (dihedral angle constraints)
4196 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4197 UCONST= 0.000000E+00 (Constraint energy)
4198 EDFAD= 5.491269-315 (DFA distance energy)
4199 EDFAT= 6.953158-310 (DFA torsion energy)
4200 EDFAN= 6.953158-310 (DFA NCa energy)
4201 EDFAB= 2.650815-317 (DFA Beta energy)
4202 ETOT= -8.705180E+01 (total)
4203 RMS deviation from the reference structure: 5.173
4204 % of native contacts: 33.333
4205 % of nonnative contacts: 80.000
4206 contact order: 0.300
4207 TM-score with the reference structure: 0.31
4208 Conformation # 111 read
4211 Conformation # 109 sumsl return code 4
4213 Virtual-chain energies:
4215 EVDW= -5.511754E+01 WEIGHT= 1.352790D+00 (SC-SC)
4216 EVDW2= 5.203137E+01 WEIGHT= 1.593040D+00 (SC-p)
4217 EES= -1.003876E+02 WEIGHT= 7.153400D-01 (p-p)
4218 EVDWPP= -2.872842E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4219 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4220 EBE= -3.447944E+01 WEIGHT= 1.138730D+00 (bending)
4221 ESC= 5.851850E+01 WEIGHT= 1.625800D-01 (SC local)
4222 ETORS= 8.954505E+00 WEIGHT= 1.985990D+00 (torsional)
4223 ETORSD= 8.876741E-01 WEIGHT= 1.570690D+00 (double torsional)
4224 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4225 ECORR4= -7.413289E+01 WEIGHT= 4.288700D-01 (multi-body)
4226 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4227 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4228 EELLO= -5.851723E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4229 ETURN3= 1.654788E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4230 ETURN4= -4.446977E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4231 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4232 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4233 EDIHC= 0.000000E+00 (dihedral angle constraints)
4234 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4235 UCONST= 0.000000E+00 (Constraint energy)
4236 EDFAD= 5.491269-315 (DFA distance energy)
4237 EDFAT= 6.953158-310 (DFA torsion energy)
4238 EDFAN= 6.953158-310 (DFA NCa energy)
4239 EDFAB= 2.650815-317 (DFA Beta energy)
4240 ETOT= -8.508046E+01 (total)
4241 RMS deviation from the reference structure: 2.970
4242 % of native contacts: 58.333
4243 % of nonnative contacts: 73.077
4244 contact order: 0.329
4245 TM-score with the reference structure: 0.28
4246 Conformation # 112 read
4249 Conformation # 110 sumsl return code 4
4251 Virtual-chain energies:
4253 EVDW= -5.235956E+01 WEIGHT= 1.352790D+00 (SC-SC)
4254 EVDW2= 4.791795E+01 WEIGHT= 1.593040D+00 (SC-p)
4255 EES= -8.765061E+01 WEIGHT= 7.153400D-01 (p-p)
4256 EVDWPP= -2.432428E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4257 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4258 EBE= -3.926526E+01 WEIGHT= 1.138730D+00 (bending)
4259 ESC= 3.043079E+01 WEIGHT= 1.625800D-01 (SC local)
4260 ETORS= 8.901212E+00 WEIGHT= 1.985990D+00 (torsional)
4261 ETORSD= -8.860118E-01 WEIGHT= 1.570690D+00 (double torsional)
4262 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4263 ECORR4= -6.471032E+01 WEIGHT= 4.288700D-01 (multi-body)
4264 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4265 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4266 EELLO= 1.627734E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4267 ETURN3= 1.606694E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4268 ETURN4= -1.519354E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4269 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4270 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4271 EDIHC= 0.000000E+00 (dihedral angle constraints)
4272 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4273 UCONST= 0.000000E+00 (Constraint energy)
4274 EDFAD= 5.491269-315 (DFA distance energy)
4275 EDFAT= 6.953158-310 (DFA torsion energy)
4276 EDFAN= 6.953158-310 (DFA NCa energy)
4277 EDFAB= 2.650815-317 (DFA Beta energy)
4278 ETOT= -8.483028E+01 (total)
4279 RMS deviation from the reference structure: 4.780
4280 % of native contacts: 41.667
4281 % of nonnative contacts: 73.684
4282 contact order: 0.359
4283 TM-score with the reference structure: 0.29
4284 Conformation # 113 read
4287 Conformation # 103 sumsl return code 4
4289 Virtual-chain energies:
4291 EVDW= -5.590397E+01 WEIGHT= 1.352790D+00 (SC-SC)
4292 EVDW2= 5.353249E+01 WEIGHT= 1.593040D+00 (SC-p)
4293 EES= -1.085338E+02 WEIGHT= 7.153400D-01 (p-p)
4294 EVDWPP= -2.416531E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4295 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4296 EBE= -3.856788E+01 WEIGHT= 1.138730D+00 (bending)
4297 ESC= 5.894802E+01 WEIGHT= 1.625800D-01 (SC local)
4298 ETORS= 1.206290E+01 WEIGHT= 1.985990D+00 (torsional)
4299 ETORSD= -2.159705E+00 WEIGHT= 1.570690D+00 (double torsional)
4300 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4301 ECORR4= -8.397918E+01 WEIGHT= 4.288700D-01 (multi-body)
4302 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4303 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4304 EELLO= -4.885036E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4305 ETURN3= 1.912651E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4306 ETURN4= 3.510779E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
4307 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4308 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4309 EDIHC= 0.000000E+00 (dihedral angle constraints)
4310 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4311 UCONST= 0.000000E+00 (Constraint energy)
4312 EDFAD= 5.491269-315 (DFA distance energy)
4313 EDFAT= 6.953158-310 (DFA torsion energy)
4314 EDFAN= 6.953158-310 (DFA NCa energy)
4315 EDFAB= 2.650815-317 (DFA Beta energy)
4316 ETOT= -8.900905E+01 (total)
4317 RMS deviation from the reference structure: 2.513
4318 % of native contacts: 58.333
4319 % of nonnative contacts: 69.565
4320 contact order: 0.312
4321 TM-score with the reference structure: 0.33
4322 Conformation # 114 read
4325 Conformation # 113 sumsl return code 4
4327 Virtual-chain energies:
4329 EVDW= -5.466127E+01 WEIGHT= 1.352790D+00 (SC-SC)
4330 EVDW2= 4.757760E+01 WEIGHT= 1.593040D+00 (SC-p)
4331 EES= -9.467414E+01 WEIGHT= 7.153400D-01 (p-p)
4332 EVDWPP= -2.411362E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4333 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4334 EBE= -4.038540E+01 WEIGHT= 1.138730D+00 (bending)
4335 ESC= 5.535708E+01 WEIGHT= 1.625800D-01 (SC local)
4336 ETORS= 9.824628E+00 WEIGHT= 1.985990D+00 (torsional)
4337 ETORSD= 1.369934E+00 WEIGHT= 1.570690D+00 (double torsional)
4338 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4339 ECORR4= -6.550612E+01 WEIGHT= 4.288700D-01 (multi-body)
4340 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4341 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4342 EELLO= 2.419460E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4343 ETURN3= 1.783336E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4344 ETURN4= -5.375778E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4345 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4346 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4347 EDIHC= 0.000000E+00 (dihedral angle constraints)
4348 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4349 UCONST= 0.000000E+00 (Constraint energy)
4350 EDFAD= 5.491269-315 (DFA distance energy)
4351 EDFAT= 6.953158-310 (DFA torsion energy)
4352 EDFAN= 6.953158-310 (DFA NCa energy)
4353 EDFAB= 2.650815-317 (DFA Beta energy)
4354 ETOT= -8.512033E+01 (total)
4355 RMS deviation from the reference structure: 4.896
4356 % of native contacts: 33.333
4357 % of nonnative contacts: 78.947
4358 contact order: 0.282
4359 TM-score with the reference structure: 0.27
4360 Conformation # 115 read
4363 Conformation # 112 sumsl return code 4
4365 Virtual-chain energies:
4367 EVDW= -5.242327E+01 WEIGHT= 1.352790D+00 (SC-SC)
4368 EVDW2= 5.094404E+01 WEIGHT= 1.593040D+00 (SC-p)
4369 EES= -1.039435E+02 WEIGHT= 7.153400D-01 (p-p)
4370 EVDWPP= -1.910171E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4371 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4372 EBE= -4.130438E+01 WEIGHT= 1.138730D+00 (bending)
4373 ESC= 3.997114E+01 WEIGHT= 1.625800D-01 (SC local)
4374 ETORS= 1.202100E+01 WEIGHT= 1.985990D+00 (torsional)
4375 ETORSD= -5.630433E-01 WEIGHT= 1.570690D+00 (double torsional)
4376 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4377 ECORR4= -7.322731E+01 WEIGHT= 4.288700D-01 (multi-body)
4378 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4379 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4380 EELLO= 6.838928E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
4381 ETURN3= 1.713124E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4382 ETURN4= -6.964243E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
4383 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4384 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4385 EDIHC= 0.000000E+00 (dihedral angle constraints)
4386 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4387 UCONST= 0.000000E+00 (Constraint energy)
4388 EDFAD= 5.491269-315 (DFA distance energy)
4389 EDFAT= 6.953158-310 (DFA torsion energy)
4390 EDFAN= 6.953158-310 (DFA NCa energy)
4391 EDFAB= 2.650815-317 (DFA Beta energy)
4392 ETOT= -8.668798E+01 (total)
4393 RMS deviation from the reference structure: 3.428
4394 % of native contacts: 50.000
4395 % of nonnative contacts: 72.727
4396 contact order: 0.401
4397 TM-score with the reference structure: 0.27
4398 Conformation # 116 read
4401 Conformation # 115 sumsl return code 4
4403 Virtual-chain energies:
4405 EVDW= -4.851068E+01 WEIGHT= 1.352790D+00 (SC-SC)
4406 EVDW2= 4.559134E+01 WEIGHT= 1.593040D+00 (SC-p)
4407 EES= -8.666728E+01 WEIGHT= 7.153400D-01 (p-p)
4408 EVDWPP= -3.081903E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4409 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4410 EBE= -4.144644E+01 WEIGHT= 1.138730D+00 (bending)
4411 ESC= 3.433608E+01 WEIGHT= 1.625800D-01 (SC local)
4412 ETORS= 8.961358E+00 WEIGHT= 1.985990D+00 (torsional)
4413 ETORSD= 4.923647E-01 WEIGHT= 1.570690D+00 (double torsional)
4414 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4415 ECORR4= -6.015026E+01 WEIGHT= 4.288700D-01 (multi-body)
4416 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4417 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4418 EELLO= -2.200885E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4419 ETURN3= 1.436547E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4420 ETURN4= -2.211555E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4421 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4422 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4423 EDIHC= 0.000000E+00 (dihedral angle constraints)
4424 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4425 UCONST= 0.000000E+00 (Constraint energy)
4426 EDFAD= 5.491269-315 (DFA distance energy)
4427 EDFAT= 6.953158-310 (DFA torsion energy)
4428 EDFAN= 6.953158-310 (DFA NCa energy)
4429 EDFAB= 2.650815-317 (DFA Beta energy)
4430 ETOT= -8.491695E+01 (total)
4431 RMS deviation from the reference structure: 4.101
4432 % of native contacts: 33.333
4433 % of nonnative contacts: 76.471
4434 contact order: 0.321
4435 TM-score with the reference structure: 0.31
4436 Conformation # 117 read
4439 Conformation # 116 sumsl return code 4
4441 Virtual-chain energies:
4443 EVDW= -5.346322E+01 WEIGHT= 1.352790D+00 (SC-SC)
4444 EVDW2= 5.023763E+01 WEIGHT= 1.593040D+00 (SC-p)
4445 EES= -9.998351E+01 WEIGHT= 7.153400D-01 (p-p)
4446 EVDWPP= -2.376518E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4447 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4448 EBE= -3.884941E+01 WEIGHT= 1.138730D+00 (bending)
4449 ESC= 4.421116E+01 WEIGHT= 1.625800D-01 (SC local)
4450 ETORS= 8.581505E+00 WEIGHT= 1.985990D+00 (torsional)
4451 ETORSD= 9.189142E-01 WEIGHT= 1.570690D+00 (double torsional)
4452 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4453 ECORR4= -7.527252E+01 WEIGHT= 4.288700D-01 (multi-body)
4454 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4455 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4456 EELLO= -3.767585E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4457 ETURN3= 1.842217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4458 ETURN4= -3.985457E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4459 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4460 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4461 EDIHC= 0.000000E+00 (dihedral angle constraints)
4462 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4463 UCONST= 0.000000E+00 (Constraint energy)
4464 EDFAD= 5.491269-315 (DFA distance energy)
4465 EDFAT= 6.953158-310 (DFA torsion energy)
4466 EDFAN= 6.953158-310 (DFA NCa energy)
4467 EDFAB= 2.650815-317 (DFA Beta energy)
4468 ETOT= -8.952713E+01 (total)
4469 RMS deviation from the reference structure: 2.605
4470 % of native contacts: 50.000
4471 % of nonnative contacts: 71.429
4472 contact order: 0.290
4473 TM-score with the reference structure: 0.30
4474 Conformation # 118 read
4477 Conformation # 114 sumsl return code 4
4479 Virtual-chain energies:
4481 EVDW= -5.268079E+01 WEIGHT= 1.352790D+00 (SC-SC)
4482 EVDW2= 4.741509E+01 WEIGHT= 1.593040D+00 (SC-p)
4483 EES= -9.630309E+01 WEIGHT= 7.153400D-01 (p-p)
4484 EVDWPP= -2.337914E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4485 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4486 EBE= -3.721869E+01 WEIGHT= 1.138730D+00 (bending)
4487 ESC= 4.598975E+01 WEIGHT= 1.625800D-01 (SC local)
4488 ETORS= 1.157598E+01 WEIGHT= 1.985990D+00 (torsional)
4489 ETORSD= -4.446267E-01 WEIGHT= 1.570690D+00 (double torsional)
4490 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4491 ECORR4= -7.037918E+01 WEIGHT= 4.288700D-01 (multi-body)
4492 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4493 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4494 EELLO= -1.677141E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4495 ETURN3= 1.721241E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4496 ETURN4= -4.211287E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4497 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4498 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4499 EDIHC= 0.000000E+00 (dihedral angle constraints)
4500 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4501 UCONST= 0.000000E+00 (Constraint energy)
4502 EDFAD= 5.491269-315 (DFA distance energy)
4503 EDFAT= 6.953158-310 (DFA torsion energy)
4504 EDFAN= 6.953158-310 (DFA NCa energy)
4505 EDFAB= 2.650815-317 (DFA Beta energy)
4506 ETOT= -8.409392E+01 (total)
4507 RMS deviation from the reference structure: 3.329
4508 % of native contacts: 16.667
4509 % of nonnative contacts: 85.714
4510 contact order: 0.312
4511 TM-score with the reference structure: 0.28
4512 Conformation # 119 read
4515 Conformation # 108 sumsl return code 4
4517 Virtual-chain energies:
4519 EVDW= -4.860408E+01 WEIGHT= 1.352790D+00 (SC-SC)
4520 EVDW2= 6.122271E+01 WEIGHT= 1.593040D+00 (SC-p)
4521 EES= -1.220830E+02 WEIGHT= 7.153400D-01 (p-p)
4522 EVDWPP= -1.535458E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4523 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4524 EBE= -3.524350E+01 WEIGHT= 1.138730D+00 (bending)
4525 ESC= 4.195598E+01 WEIGHT= 1.625800D-01 (SC local)
4526 ETORS= 1.190706E+01 WEIGHT= 1.985990D+00 (torsional)
4527 ETORSD= -2.261634E+00 WEIGHT= 1.570690D+00 (double torsional)
4528 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4529 ECORR4= -9.534241E+01 WEIGHT= 4.288700D-01 (multi-body)
4530 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4531 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4532 EELLO= -8.280665E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4533 ETURN3= 1.781935E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4534 ETURN4= -5.590914E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4535 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4536 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4537 EDIHC= 0.000000E+00 (dihedral angle constraints)
4538 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4539 UCONST= 0.000000E+00 (Constraint energy)
4540 EDFAD= 5.491269-315 (DFA distance energy)
4541 EDFAT= 6.953158-310 (DFA torsion energy)
4542 EDFAN= 6.953158-310 (DFA NCa energy)
4543 EDFAB= 2.650815-317 (DFA Beta energy)
4544 ETOT= -8.636945E+01 (total)
4545 RMS deviation from the reference structure: 3.095
4546 % of native contacts: 58.333
4547 % of nonnative contacts: 65.000
4548 contact order: 0.261
4549 TM-score with the reference structure: 0.29
4550 Conformation # 120 read
4553 Conformation # 111 sumsl return code 4
4555 Virtual-chain energies:
4557 EVDW= -5.378916E+01 WEIGHT= 1.352790D+00 (SC-SC)
4558 EVDW2= 5.375793E+01 WEIGHT= 1.593040D+00 (SC-p)
4559 EES= -1.063399E+02 WEIGHT= 7.153400D-01 (p-p)
4560 EVDWPP= -1.885744E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4561 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4562 EBE= -4.094057E+01 WEIGHT= 1.138730D+00 (bending)
4563 ESC= 2.870332E+01 WEIGHT= 1.625800D-01 (SC local)
4564 ETORS= 1.416172E+01 WEIGHT= 1.985990D+00 (torsional)
4565 ETORSD= -2.469450E+00 WEIGHT= 1.570690D+00 (double torsional)
4566 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4567 ECORR4= -7.827931E+01 WEIGHT= 4.288700D-01 (multi-body)
4568 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4569 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4570 EELLO= -3.511283E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
4571 ETURN3= 1.794873E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4572 ETURN4= 1.158831E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4573 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4574 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4575 EDIHC= 0.000000E+00 (dihedral angle constraints)
4576 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4577 UCONST= 0.000000E+00 (Constraint energy)
4578 EDFAD= 5.491269-315 (DFA distance energy)
4579 EDFAT= 6.953158-310 (DFA torsion energy)
4580 EDFAN= 6.953158-310 (DFA NCa energy)
4581 EDFAB= 2.650815-317 (DFA Beta energy)
4582 ETOT= -8.562473E+01 (total)
4583 RMS deviation from the reference structure: 4.105
4584 % of native contacts: 41.667
4585 % of nonnative contacts: 75.000
4586 contact order: 0.300
4587 TM-score with the reference structure: 0.29
4588 Conformation # 121 read
4591 Conformation # 119 sumsl return code 4
4593 Virtual-chain energies:
4595 EVDW= -5.331292E+01 WEIGHT= 1.352790D+00 (SC-SC)
4596 EVDW2= 5.197925E+01 WEIGHT= 1.593040D+00 (SC-p)
4597 EES= -1.034186E+02 WEIGHT= 7.153400D-01 (p-p)
4598 EVDWPP= -2.415704E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4599 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4600 EBE= -3.593420E+01 WEIGHT= 1.138730D+00 (bending)
4601 ESC= 3.257270E+01 WEIGHT= 1.625800D-01 (SC local)
4602 ETORS= 9.460081E+00 WEIGHT= 1.985990D+00 (torsional)
4603 ETORSD= -2.555473E-01 WEIGHT= 1.570690D+00 (double torsional)
4604 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4605 ECORR4= -7.828414E+01 WEIGHT= 4.288700D-01 (multi-body)
4606 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4607 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4608 EELLO= -5.731423E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4609 ETURN3= 1.829564E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4610 ETURN4= -2.497192E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4611 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4612 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4613 EDIHC= 0.000000E+00 (dihedral angle constraints)
4614 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4615 UCONST= 0.000000E+00 (Constraint energy)
4616 EDFAD= 5.491269-315 (DFA distance energy)
4617 EDFAT= 6.953158-310 (DFA torsion energy)
4618 EDFAN= 6.953158-310 (DFA NCa energy)
4619 EDFAB= 2.650815-317 (DFA Beta energy)
4620 ETOT= -8.855785E+01 (total)
4621 RMS deviation from the reference structure: 2.345
4622 % of native contacts: 50.000
4623 % of nonnative contacts: 72.727
4624 contact order: 0.339
4625 TM-score with the reference structure: 0.30
4626 Conformation # 122 read
4629 Conformation # 117 sumsl return code 4
4631 Virtual-chain energies:
4633 EVDW= -5.380249E+01 WEIGHT= 1.352790D+00 (SC-SC)
4634 EVDW2= 4.929180E+01 WEIGHT= 1.593040D+00 (SC-p)
4635 EES= -1.007539E+02 WEIGHT= 7.153400D-01 (p-p)
4636 EVDWPP= -2.523339E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4637 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4638 EBE= -3.888660E+01 WEIGHT= 1.138730D+00 (bending)
4639 ESC= 4.005106E+01 WEIGHT= 1.625800D-01 (SC local)
4640 ETORS= 9.586017E+00 WEIGHT= 1.985990D+00 (torsional)
4641 ETORSD= 1.418497E-01 WEIGHT= 1.570690D+00 (double torsional)
4642 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4643 ECORR4= -7.570984E+01 WEIGHT= 4.288700D-01 (multi-body)
4644 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4645 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4646 EELLO= -5.752869E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4647 ETURN3= 1.841239E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4648 ETURN4= -2.063718E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4649 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4650 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4651 EDIHC= 0.000000E+00 (dihedral angle constraints)
4652 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4653 UCONST= 0.000000E+00 (Constraint energy)
4654 EDFAD= 5.491269-315 (DFA distance energy)
4655 EDFAT= 6.953158-310 (DFA torsion energy)
4656 EDFAN= 6.953158-310 (DFA NCa energy)
4657 EDFAB= 2.650815-317 (DFA Beta energy)
4658 ETOT= -9.140482E+01 (total)
4659 RMS deviation from the reference structure: 2.858
4660 % of native contacts: 50.000
4661 % of nonnative contacts: 72.727
4662 contact order: 0.289
4663 TM-score with the reference structure: 0.31
4664 Conformation # 123 read
4667 Conformation # 69 sumsl return code 4
4669 Virtual-chain energies:
4671 EVDW= -4.920319E+01 WEIGHT= 1.352790D+00 (SC-SC)
4672 EVDW2= 3.643192E+01 WEIGHT= 1.593040D+00 (SC-p)
4673 EES= -6.548397E+01 WEIGHT= 7.153400D-01 (p-p)
4674 EVDWPP= -2.941732E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4675 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4676 EBE= -3.939065E+01 WEIGHT= 1.138730D+00 (bending)
4677 ESC= 3.485384E+01 WEIGHT= 1.625800D-01 (SC local)
4678 ETORS= 5.975187E+00 WEIGHT= 1.985990D+00 (torsional)
4679 ETORSD= -2.133724E+00 WEIGHT= 1.570690D+00 (double torsional)
4680 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4681 ECORR4= -4.566465E+01 WEIGHT= 4.288700D-01 (multi-body)
4682 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4683 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4684 EELLO= 1.733689E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4685 ETURN3= 1.409397E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4686 ETURN4= 1.713680E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4687 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4688 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4689 EDIHC= 0.000000E+00 (dihedral angle constraints)
4690 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4691 UCONST= 0.000000E+00 (Constraint energy)
4692 EDFAD= 5.491269-315 (DFA distance energy)
4693 EDFAT= 6.953158-310 (DFA torsion energy)
4694 EDFAN= 6.953158-310 (DFA NCa energy)
4695 EDFAB= 2.650815-317 (DFA Beta energy)
4696 ETOT= -8.377753E+01 (total)
4697 RMS deviation from the reference structure: 4.423
4698 % of native contacts: 25.000
4699 % of nonnative contacts: 83.333
4700 contact order: 0.394
4701 TM-score with the reference structure: 0.26
4702 Conformation # 124 read
4705 Conformation # 123 sumsl return code 4
4707 Virtual-chain energies:
4709 EVDW= -4.818313E+01 WEIGHT= 1.352790D+00 (SC-SC)
4710 EVDW2= 4.869203E+01 WEIGHT= 1.593040D+00 (SC-p)
4711 EES= -9.087081E+01 WEIGHT= 7.153400D-01 (p-p)
4712 EVDWPP= -3.098310E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4713 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4714 EBE= -3.900805E+01 WEIGHT= 1.138730D+00 (bending)
4715 ESC= 2.979270E+01 WEIGHT= 1.625800D-01 (SC local)
4716 ETORS= 1.048510E+01 WEIGHT= 1.985990D+00 (torsional)
4717 ETORSD= -2.670117E+00 WEIGHT= 1.570690D+00 (double torsional)
4718 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4719 ECORR4= -6.762290E+01 WEIGHT= 4.288700D-01 (multi-body)
4720 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4721 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4722 EELLO= 1.112720E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4723 ETURN3= 1.350122E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4724 ETURN4= -1.988614E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
4725 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4726 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4727 EDIHC= 0.000000E+00 (dihedral angle constraints)
4728 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4729 UCONST= 0.000000E+00 (Constraint energy)
4730 EDFAD= 5.491269-315 (DFA distance energy)
4731 EDFAT= 6.953158-310 (DFA torsion energy)
4732 EDFAN= 6.953158-310 (DFA NCa energy)
4733 EDFAB= 2.650815-317 (DFA Beta energy)
4734 ETOT= -8.526164E+01 (total)
4735 RMS deviation from the reference structure: 4.105
4736 % of native contacts: 50.000
4737 % of nonnative contacts: 70.000
4738 contact order: 0.357
4739 TM-score with the reference structure: 0.31
4740 Conformation # 125 read
4743 Conformation # 122 sumsl return code 4
4745 Virtual-chain energies:
4747 EVDW= -5.397051E+01 WEIGHT= 1.352790D+00 (SC-SC)
4748 EVDW2= 4.522837E+01 WEIGHT= 1.593040D+00 (SC-p)
4749 EES= -8.637575E+01 WEIGHT= 7.153400D-01 (p-p)
4750 EVDWPP= -3.004787E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4751 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4752 EBE= -3.737668E+01 WEIGHT= 1.138730D+00 (bending)
4753 ESC= 4.173907E+01 WEIGHT= 1.625800D-01 (SC local)
4754 ETORS= 7.419752E+00 WEIGHT= 1.985990D+00 (torsional)
4755 ETORSD= 7.381487E-01 WEIGHT= 1.570690D+00 (double torsional)
4756 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4757 ECORR4= -6.527592E+01 WEIGHT= 4.288700D-01 (multi-body)
4758 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4759 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4760 EELLO= -4.332356E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4761 ETURN3= 1.653682E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4762 ETURN4= -1.917438E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4763 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4764 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4765 EDIHC= 0.000000E+00 (dihedral angle constraints)
4766 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4767 UCONST= 0.000000E+00 (Constraint energy)
4768 EDFAD= 5.491269-315 (DFA distance energy)
4769 EDFAT= 6.953158-310 (DFA torsion energy)
4770 EDFAN= 6.953158-310 (DFA NCa energy)
4771 EDFAB= 2.650815-317 (DFA Beta energy)
4772 ETOT= -8.810428E+01 (total)
4773 RMS deviation from the reference structure: 2.962
4774 % of native contacts: 50.000
4775 % of nonnative contacts: 72.727
4776 contact order: 0.312
4777 TM-score with the reference structure: 0.30
4778 Conformation # 126 read
4781 Conformation # 125 sumsl return code 4
4783 Virtual-chain energies:
4785 EVDW= -5.078950E+01 WEIGHT= 1.352790D+00 (SC-SC)
4786 EVDW2= 4.913631E+01 WEIGHT= 1.593040D+00 (SC-p)
4787 EES= -9.987614E+01 WEIGHT= 7.153400D-01 (p-p)
4788 EVDWPP= -2.172987E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4789 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4790 EBE= -4.042024E+01 WEIGHT= 1.138730D+00 (bending)
4791 ESC= 4.081295E+01 WEIGHT= 1.625800D-01 (SC local)
4792 ETORS= 1.022220E+01 WEIGHT= 1.985990D+00 (torsional)
4793 ETORSD= 6.869584E-02 WEIGHT= 1.570690D+00 (double torsional)
4794 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4795 ECORR4= -7.216795E+01 WEIGHT= 4.288700D-01 (multi-body)
4796 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4797 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4798 EELLO= -5.321539E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4799 ETURN3= 1.944246E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4800 ETURN4= -2.186088E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4801 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4802 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4803 EDIHC= 0.000000E+00 (dihedral angle constraints)
4804 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4805 UCONST= 0.000000E+00 (Constraint energy)
4806 EDFAD= 5.491269-315 (DFA distance energy)
4807 EDFAT= 6.953158-310 (DFA torsion energy)
4808 EDFAN= 6.953158-310 (DFA NCa energy)
4809 EDFAB= 2.650815-317 (DFA Beta energy)
4810 ETOT= -8.377916E+01 (total)
4811 RMS deviation from the reference structure: 4.191
4812 % of native contacts: 33.333
4813 % of nonnative contacts: 80.952
4814 contact order: 0.294
4815 TM-score with the reference structure: 0.36
4816 Conformation # 127 read
4819 Conformation # 120 sumsl return code 4
4821 Virtual-chain energies:
4823 EVDW= -5.245943E+01 WEIGHT= 1.352790D+00 (SC-SC)
4824 EVDW2= 4.785583E+01 WEIGHT= 1.593040D+00 (SC-p)
4825 EES= -9.565528E+01 WEIGHT= 7.153400D-01 (p-p)
4826 EVDWPP= -1.726569E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4827 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4828 EBE= -3.671199E+01 WEIGHT= 1.138730D+00 (bending)
4829 ESC= 4.105299E+01 WEIGHT= 1.625800D-01 (SC local)
4830 ETORS= 1.056150E+01 WEIGHT= 1.985990D+00 (torsional)
4831 ETORSD= -1.657892E+00 WEIGHT= 1.570690D+00 (double torsional)
4832 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4833 ECORR4= -6.968664E+01 WEIGHT= 4.288700D-01 (multi-body)
4834 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4835 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4836 EELLO= -1.870011E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4837 ETURN3= 1.838360E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4838 ETURN4= -3.709290E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4839 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4840 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4841 EDIHC= 0.000000E+00 (dihedral angle constraints)
4842 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4843 UCONST= 0.000000E+00 (Constraint energy)
4844 EDFAD= 5.491269-315 (DFA distance energy)
4845 EDFAT= 6.953158-310 (DFA torsion energy)
4846 EDFAN= 6.953158-310 (DFA NCa energy)
4847 EDFAB= 2.650815-317 (DFA Beta energy)
4848 ETOT= -8.350519E+01 (total)
4849 RMS deviation from the reference structure: 4.702
4850 % of native contacts: 25.000
4851 % of nonnative contacts: 85.714
4852 contact order: 0.333
4853 TM-score with the reference structure: 0.31
4854 Conformation # 128 read
4857 Conformation # 127 sumsl return code 4
4859 Virtual-chain energies:
4861 EVDW= -5.219792E+01 WEIGHT= 1.352790D+00 (SC-SC)
4862 EVDW2= 4.767414E+01 WEIGHT= 1.593040D+00 (SC-p)
4863 EES= -8.382230E+01 WEIGHT= 7.153400D-01 (p-p)
4864 EVDWPP= -4.109974E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4865 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4866 EBE= -4.128860E+01 WEIGHT= 1.138730D+00 (bending)
4867 ESC= 3.503076E+01 WEIGHT= 1.625800D-01 (SC local)
4868 ETORS= 8.940973E+00 WEIGHT= 1.985990D+00 (torsional)
4869 ETORSD= 6.380910E-01 WEIGHT= 1.570690D+00 (double torsional)
4870 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4871 ECORR4= -5.982760E+01 WEIGHT= 4.288700D-01 (multi-body)
4872 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4873 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4874 EELLO= -5.301500E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4875 ETURN3= 1.491043E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4876 ETURN4= -1.548721E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4877 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4878 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4879 EDIHC= 0.000000E+00 (dihedral angle constraints)
4880 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4881 UCONST= 0.000000E+00 (Constraint energy)
4882 EDFAD= 5.491269-315 (DFA distance energy)
4883 EDFAT= 6.953158-310 (DFA torsion energy)
4884 EDFAN= 6.953158-310 (DFA NCa energy)
4885 EDFAB= 2.650815-317 (DFA Beta energy)
4886 ETOT= -8.424020E+01 (total)
4887 RMS deviation from the reference structure: 3.844
4888 % of native contacts: 41.667
4889 % of nonnative contacts: 76.190
4890 contact order: 0.335
4891 TM-score with the reference structure: 0.27
4892 Conformation # 129 read
4895 Conformation # 121 sumsl return code 4
4897 Virtual-chain energies:
4899 EVDW= -5.255276E+01 WEIGHT= 1.352790D+00 (SC-SC)
4900 EVDW2= 4.319358E+01 WEIGHT= 1.593040D+00 (SC-p)
4901 EES= -8.048973E+01 WEIGHT= 7.153400D-01 (p-p)
4902 EVDWPP= -2.373419E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4903 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4904 EBE= -3.757984E+01 WEIGHT= 1.138730D+00 (bending)
4905 ESC= 4.333407E+01 WEIGHT= 1.625800D-01 (SC local)
4906 ETORS= 8.312364E+00 WEIGHT= 1.985990D+00 (torsional)
4907 ETORSD= -1.918612E+00 WEIGHT= 1.570690D+00 (double torsional)
4908 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4909 ECORR4= -5.966874E+01 WEIGHT= 4.288700D-01 (multi-body)
4910 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4911 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4912 EELLO= -8.470271E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
4913 ETURN3= 1.663548E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4914 ETURN4= -3.139967E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4915 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4916 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4917 EDIHC= 0.000000E+00 (dihedral angle constraints)
4918 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4919 UCONST= 0.000000E+00 (Constraint energy)
4920 EDFAD= 5.491269-315 (DFA distance energy)
4921 EDFAT= 6.953158-310 (DFA torsion energy)
4922 EDFAN= 6.953158-310 (DFA NCa energy)
4923 EDFAB= 2.650815-317 (DFA Beta energy)
4924 ETOT= -8.455124E+01 (total)
4925 RMS deviation from the reference structure: 5.585
4926 % of native contacts: 41.667
4927 % of nonnative contacts: 76.190
4928 contact order: 0.390
4929 TM-score with the reference structure: 0.31
4930 Conformation # 130 read
4933 Conformation # 124 sumsl return code 4
4935 Virtual-chain energies:
4937 EVDW= -5.216570E+01 WEIGHT= 1.352790D+00 (SC-SC)
4938 EVDW2= 5.398055E+01 WEIGHT= 1.593040D+00 (SC-p)
4939 EES= -1.099487E+02 WEIGHT= 7.153400D-01 (p-p)
4940 EVDWPP= -3.059308E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4941 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4942 EBE= -4.016517E+01 WEIGHT= 1.138730D+00 (bending)
4943 ESC= 4.743627E+01 WEIGHT= 1.625800D-01 (SC local)
4944 ETORS= 1.139440E+01 WEIGHT= 1.985990D+00 (torsional)
4945 ETORSD= -1.010718E+00 WEIGHT= 1.570690D+00 (double torsional)
4946 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4947 ECORR4= -8.096375E+01 WEIGHT= 4.288700D-01 (multi-body)
4948 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4949 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4950 EELLO= -4.274612E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4951 ETURN3= 1.929906E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4952 ETURN4= -2.804433E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4953 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4954 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4955 EDIHC= 0.000000E+00 (dihedral angle constraints)
4956 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4957 UCONST= 0.000000E+00 (Constraint energy)
4958 EDFAD= 5.491269-315 (DFA distance energy)
4959 EDFAT= 6.953158-310 (DFA torsion energy)
4960 EDFAN= 6.953158-310 (DFA NCa energy)
4961 EDFAB= 2.650815-317 (DFA Beta energy)
4962 ETOT= -8.839296E+01 (total)
4963 RMS deviation from the reference structure: 2.961
4964 % of native contacts: 25.000
4965 % of nonnative contacts: 85.000
4966 contact order: 0.250
4967 TM-score with the reference structure: 0.28
4968 Conformation # 131 read
4971 Conformation # 126 sumsl return code 4
4973 Virtual-chain energies:
4975 EVDW= -5.315049E+01 WEIGHT= 1.352790D+00 (SC-SC)
4976 EVDW2= 4.486980E+01 WEIGHT= 1.593040D+00 (SC-p)
4977 EES= -8.414008E+01 WEIGHT= 7.153400D-01 (p-p)
4978 EVDWPP= -2.009192E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4979 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4980 EBE= -3.792281E+01 WEIGHT= 1.138730D+00 (bending)
4981 ESC= 4.398079E+01 WEIGHT= 1.625800D-01 (SC local)
4982 ETORS= 6.827375E+00 WEIGHT= 1.985990D+00 (torsional)
4983 ETORSD= 2.220531E+00 WEIGHT= 1.570690D+00 (double torsional)
4984 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4985 ECORR4= -6.174507E+01 WEIGHT= 4.288700D-01 (multi-body)
4986 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4987 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4988 EELLO= -3.626258E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4989 ETURN3= 1.563617E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4990 ETURN4= -4.296002E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4991 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4992 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4993 EDIHC= 0.000000E+00 (dihedral angle constraints)
4994 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4995 UCONST= 0.000000E+00 (Constraint energy)
4996 EDFAD= 5.491269-315 (DFA distance energy)
4997 EDFAT= 6.953158-310 (DFA torsion energy)
4998 EDFAN= 6.953158-310 (DFA NCa energy)
4999 EDFAB= 2.650815-317 (DFA Beta energy)
5000 ETOT= -8.540776E+01 (total)
5001 RMS deviation from the reference structure: 5.716
5002 % of native contacts: 33.333
5003 % of nonnative contacts: 80.000
5004 contact order: 0.361
5005 TM-score with the reference structure: 0.29
5006 Conformation # 132 read
5009 Conformation # 118 sumsl return code 4
5011 Virtual-chain energies:
5013 EVDW= -5.474473E+01 WEIGHT= 1.352790D+00 (SC-SC)
5014 EVDW2= 4.750560E+01 WEIGHT= 1.593040D+00 (SC-p)
5015 EES= -9.412480E+01 WEIGHT= 7.153400D-01 (p-p)
5016 EVDWPP= -2.369423E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5017 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5018 EBE= -3.653839E+01 WEIGHT= 1.138730D+00 (bending)
5019 ESC= 5.578797E+01 WEIGHT= 1.625800D-01 (SC local)
5020 ETORS= 8.368973E+00 WEIGHT= 1.985990D+00 (torsional)
5021 ETORSD= -8.265766E-01 WEIGHT= 1.570690D+00 (double torsional)
5022 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5023 ECORR4= -7.186114E+01 WEIGHT= 4.288700D-01 (multi-body)
5024 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5025 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5026 EELLO= -4.812655E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5027 ETURN3= 1.914220E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5028 ETURN4= -6.140353E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5029 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5030 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5031 EDIHC= 0.000000E+00 (dihedral angle constraints)
5032 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5033 UCONST= 0.000000E+00 (Constraint energy)
5034 EDFAD= 5.491269-315 (DFA distance energy)
5035 EDFAT= 6.953158-310 (DFA torsion energy)
5036 EDFAN= 6.953158-310 (DFA NCa energy)
5037 EDFAB= 2.650815-317 (DFA Beta energy)
5038 ETOT= -8.532067E+01 (total)
5039 RMS deviation from the reference structure: 6.960
5040 % of native contacts: 33.333
5041 % of nonnative contacts: 78.947
5042 contact order: 0.242
5043 TM-score with the reference structure: 0.32
5044 Conformation # 133 read
5047 Conformation # 129 sumsl return code 4
5049 Virtual-chain energies:
5051 EVDW= -4.992025E+01 WEIGHT= 1.352790D+00 (SC-SC)
5052 EVDW2= 5.429407E+01 WEIGHT= 1.593040D+00 (SC-p)
5053 EES= -1.131370E+02 WEIGHT= 7.153400D-01 (p-p)
5054 EVDWPP= -1.881771E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5055 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5056 EBE= -4.192389E+01 WEIGHT= 1.138730D+00 (bending)
5057 ESC= 3.779735E+01 WEIGHT= 1.625800D-01 (SC local)
5058 ETORS= 1.133735E+01 WEIGHT= 1.985990D+00 (torsional)
5059 ETORSD= 1.500099E-01 WEIGHT= 1.570690D+00 (double torsional)
5060 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5061 ECORR4= -8.164916E+01 WEIGHT= 4.288700D-01 (multi-body)
5062 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5063 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5064 EELLO= -6.690150E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5065 ETURN3= 2.142928E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5066 ETURN4= -3.161981E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5067 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5068 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5069 EDIHC= 0.000000E+00 (dihedral angle constraints)
5070 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5071 UCONST= 0.000000E+00 (Constraint energy)
5072 EDFAD= 5.491269-315 (DFA distance energy)
5073 EDFAT= 6.953158-310 (DFA torsion energy)
5074 EDFAN= 6.953158-310 (DFA NCa energy)
5075 EDFAB= 2.650815-317 (DFA Beta energy)
5076 ETOT= -8.498153E+01 (total)
5077 RMS deviation from the reference structure: 4.133
5078 % of native contacts: 33.333
5079 % of nonnative contacts: 80.952
5080 contact order: 0.292
5081 TM-score with the reference structure: 0.33
5082 Conformation # 134 read
5085 Conformation # 133 sumsl return code 4
5087 Virtual-chain energies:
5089 EVDW= -5.189506E+01 WEIGHT= 1.352790D+00 (SC-SC)
5090 EVDW2= 4.757256E+01 WEIGHT= 1.593040D+00 (SC-p)
5091 EES= -9.838629E+01 WEIGHT= 7.153400D-01 (p-p)
5092 EVDWPP= -1.633343E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5093 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5094 EBE= -3.915135E+01 WEIGHT= 1.138730D+00 (bending)
5095 ESC= 5.536124E+01 WEIGHT= 1.625800D-01 (SC local)
5096 ETORS= 9.916706E+00 WEIGHT= 1.985990D+00 (torsional)
5097 ETORSD= -2.210189E+00 WEIGHT= 1.570690D+00 (double torsional)
5098 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5099 ECORR4= -7.380771E+01 WEIGHT= 4.288700D-01 (multi-body)
5100 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5101 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5102 EELLO= 1.990572E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5103 ETURN3= 1.962722E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5104 ETURN4= -1.617477E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5105 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5106 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5107 EDIHC= 0.000000E+00 (dihedral angle constraints)
5108 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5109 UCONST= 0.000000E+00 (Constraint energy)
5110 EDFAD= 5.491269-315 (DFA distance energy)
5111 EDFAT= 6.953158-310 (DFA torsion energy)
5112 EDFAN= 6.953158-310 (DFA NCa energy)
5113 EDFAB= 2.650815-317 (DFA Beta energy)
5114 ETOT= -8.434067E+01 (total)
5115 RMS deviation from the reference structure: 6.540
5116 % of native contacts: 33.333
5117 % of nonnative contacts: 76.471
5118 contact order: 0.230
5119 TM-score with the reference structure: 0.31
5120 Conformation # 135 read
5123 Conformation # 132 sumsl return code 4
5125 Virtual-chain energies:
5127 EVDW= -5.235582E+01 WEIGHT= 1.352790D+00 (SC-SC)
5128 EVDW2= 5.207807E+01 WEIGHT= 1.593040D+00 (SC-p)
5129 EES= -1.071050E+02 WEIGHT= 7.153400D-01 (p-p)
5130 EVDWPP= -1.711575E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5131 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5132 EBE= -3.941223E+01 WEIGHT= 1.138730D+00 (bending)
5133 ESC= 4.129151E+01 WEIGHT= 1.625800D-01 (SC local)
5134 ETORS= 1.124429E+01 WEIGHT= 1.985990D+00 (torsional)
5135 ETORSD= -6.972108E-01 WEIGHT= 1.570690D+00 (double torsional)
5136 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5137 ECORR4= -8.103880E+01 WEIGHT= 4.288700D-01 (multi-body)
5138 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5139 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5140 EELLO= -6.315093E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5141 ETURN3= 2.005791E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5142 ETURN4= -8.401971E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5143 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5144 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5145 EDIHC= 0.000000E+00 (dihedral angle constraints)
5146 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5147 UCONST= 0.000000E+00 (Constraint energy)
5148 EDFAD= 5.491269-315 (DFA distance energy)
5149 EDFAT= 6.953158-310 (DFA torsion energy)
5150 EDFAN= 6.953158-310 (DFA NCa energy)
5151 EDFAB= 2.650815-317 (DFA Beta energy)
5152 ETOT= -8.583962E+01 (total)
5153 RMS deviation from the reference structure: 2.352
5154 % of native contacts: 66.667
5155 % of nonnative contacts: 61.905
5156 contact order: 0.281
5157 TM-score with the reference structure: 0.33
5158 Conformation # 136 read
5161 Conformation # 135 sumsl return code 4
5163 Virtual-chain energies:
5165 EVDW= -5.430661E+01 WEIGHT= 1.352790D+00 (SC-SC)
5166 EVDW2= 4.524140E+01 WEIGHT= 1.593040D+00 (SC-p)
5167 EES= -9.366272E+01 WEIGHT= 7.153400D-01 (p-p)
5168 EVDWPP= -1.848621E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5169 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5170 EBE= -3.707444E+01 WEIGHT= 1.138730D+00 (bending)
5171 ESC= 6.001340E+01 WEIGHT= 1.625800D-01 (SC local)
5172 ETORS= 8.757867E+00 WEIGHT= 1.985990D+00 (torsional)
5173 ETORSD= -4.223775E-01 WEIGHT= 1.570690D+00 (double torsional)
5174 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5175 ECORR4= -7.061694E+01 WEIGHT= 4.288700D-01 (multi-body)
5176 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5177 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5178 EELLO= -3.157413E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5179 ETURN3= 1.909434E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5180 ETURN4= -3.376204E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5181 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5182 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5183 EDIHC= 0.000000E+00 (dihedral angle constraints)
5184 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5185 UCONST= 0.000000E+00 (Constraint energy)
5186 EDFAD= 5.491269-315 (DFA distance energy)
5187 EDFAT= 6.953158-310 (DFA torsion energy)
5188 EDFAN= 6.953158-310 (DFA NCa energy)
5189 EDFAB= 2.650815-317 (DFA Beta energy)
5190 ETOT= -8.703953E+01 (total)
5191 RMS deviation from the reference structure: 6.698
5192 % of native contacts: 33.333
5193 % of nonnative contacts: 78.947
5194 contact order: 0.232
5195 TM-score with the reference structure: 0.29
5196 Conformation # 137 read
5199 Conformation # 134 sumsl return code 4
5201 Virtual-chain energies:
5203 EVDW= -5.756770E+01 WEIGHT= 1.352790D+00 (SC-SC)
5204 EVDW2= 4.536451E+01 WEIGHT= 1.593040D+00 (SC-p)
5205 EES= -8.876924E+01 WEIGHT= 7.153400D-01 (p-p)
5206 EVDWPP= -2.032483E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5207 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5208 EBE= -3.564443E+01 WEIGHT= 1.138730D+00 (bending)
5209 ESC= 5.664901E+01 WEIGHT= 1.625800D-01 (SC local)
5210 ETORS= 8.344204E+00 WEIGHT= 1.985990D+00 (torsional)
5211 ETORSD= -5.974403E-01 WEIGHT= 1.570690D+00 (double torsional)
5212 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5213 ECORR4= -6.272067E+01 WEIGHT= 4.288700D-01 (multi-body)
5214 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5215 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5216 EELLO= -3.448776E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5217 ETURN3= 1.772444E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5218 ETURN4= -3.314844E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5219 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5220 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5221 EDIHC= 0.000000E+00 (dihedral angle constraints)
5222 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5223 UCONST= 0.000000E+00 (Constraint energy)
5224 EDFAD= 5.491269-315 (DFA distance energy)
5225 EDFAT= 6.953158-310 (DFA torsion energy)
5226 EDFAN= 6.953158-310 (DFA NCa energy)
5227 EDFAB= 2.650815-317 (DFA Beta energy)
5228 ETOT= -8.641183E+01 (total)
5229 RMS deviation from the reference structure: 5.109
5230 % of native contacts: 33.333
5231 % of nonnative contacts: 78.947
5232 contact order: 0.273
5233 TM-score with the reference structure: 0.29
5234 Conformation # 138 read
5237 Conformation # 99 sumsl return code 4
5239 Virtual-chain energies:
5241 EVDW= -5.312104E+01 WEIGHT= 1.352790D+00 (SC-SC)
5242 EVDW2= 4.928392E+01 WEIGHT= 1.593040D+00 (SC-p)
5243 EES= -1.012125E+02 WEIGHT= 7.153400D-01 (p-p)
5244 EVDWPP= -3.084398E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5245 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5246 EBE= -3.965962E+01 WEIGHT= 1.138730D+00 (bending)
5247 ESC= 4.104372E+01 WEIGHT= 1.625800D-01 (SC local)
5248 ETORS= 1.034439E+01 WEIGHT= 1.985990D+00 (torsional)
5249 ETORSD= 8.635473E-02 WEIGHT= 1.570690D+00 (double torsional)
5250 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5251 ECORR4= -7.545925E+01 WEIGHT= 4.288700D-01 (multi-body)
5252 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5253 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5254 EELLO= -4.838521E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5255 ETURN3= 1.896499E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5256 ETURN4= -1.141075E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5257 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5258 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5259 EDIHC= 0.000000E+00 (dihedral angle constraints)
5260 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5261 UCONST= 0.000000E+00 (Constraint energy)
5262 EDFAD= 5.491269-315 (DFA distance energy)
5263 EDFAT= 6.953158-310 (DFA torsion energy)
5264 EDFAN= 6.953158-310 (DFA NCa energy)
5265 EDFAB= 2.650815-317 (DFA Beta energy)
5266 ETOT= -8.896393E+01 (total)
5267 RMS deviation from the reference structure: 2.928
5268 % of native contacts: 41.667
5269 % of nonnative contacts: 75.000
5270 contact order: 0.295
5271 TM-score with the reference structure: 0.30
5272 Conformation # 139 read
5275 Conformation # 137 sumsl return code 4
5277 Virtual-chain energies:
5279 EVDW= -5.367333E+01 WEIGHT= 1.352790D+00 (SC-SC)
5280 EVDW2= 5.318729E+01 WEIGHT= 1.593040D+00 (SC-p)
5281 EES= -1.058128E+02 WEIGHT= 7.153400D-01 (p-p)
5282 EVDWPP= -2.406776E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5283 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5284 EBE= -4.243945E+01 WEIGHT= 1.138730D+00 (bending)
5285 ESC= 3.746250E+01 WEIGHT= 1.625800D-01 (SC local)
5286 ETORS= 1.207440E+01 WEIGHT= 1.985990D+00 (torsional)
5287 ETORSD= -4.580531E-01 WEIGHT= 1.570690D+00 (double torsional)
5288 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5289 ECORR4= -7.450411E+01 WEIGHT= 4.288700D-01 (multi-body)
5290 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5291 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5292 EELLO= -1.356009E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5293 ETURN3= 2.003308E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5294 ETURN4= -2.817261E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5295 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5296 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5297 EDIHC= 0.000000E+00 (dihedral angle constraints)
5298 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5299 UCONST= 0.000000E+00 (Constraint energy)
5300 EDFAD= 5.491269-315 (DFA distance energy)
5301 EDFAT= 6.953158-310 (DFA torsion energy)
5302 EDFAN= 6.953158-310 (DFA NCa energy)
5303 EDFAB= 2.650815-317 (DFA Beta energy)
5304 ETOT= -8.552006E+01 (total)
5305 RMS deviation from the reference structure: 4.658
5306 % of native contacts: 25.000
5307 % of nonnative contacts: 86.957
5308 contact order: 0.318
5309 TM-score with the reference structure: 0.28
5310 Conformation # 140 read
5313 Conformation # 138 sumsl return code 4
5315 Virtual-chain energies:
5317 EVDW= -5.300626E+01 WEIGHT= 1.352790D+00 (SC-SC)
5318 EVDW2= 3.615496E+01 WEIGHT= 1.593040D+00 (SC-p)
5319 EES= -6.090571E+01 WEIGHT= 7.153400D-01 (p-p)
5320 EVDWPP= -2.887493E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5321 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5322 EBE= -3.653725E+01 WEIGHT= 1.138730D+00 (bending)
5323 ESC= 4.899935E+01 WEIGHT= 1.625800D-01 (SC local)
5324 ETORS= 4.950980E+00 WEIGHT= 1.985990D+00 (torsional)
5325 ETORSD= 4.426142E-02 WEIGHT= 1.570690D+00 (double torsional)
5326 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5327 ECORR4= -4.299856E+01 WEIGHT= 4.288700D-01 (multi-body)
5328 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5329 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5330 EELLO= -3.560256E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5331 ETURN3= 1.260465E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5332 ETURN4= -3.665086E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5333 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5334 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5335 EDIHC= 0.000000E+00 (dihedral angle constraints)
5336 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5337 UCONST= 0.000000E+00 (Constraint energy)
5338 EDFAD= 5.491269-315 (DFA distance energy)
5339 EDFAT= 6.953158-310 (DFA torsion energy)
5340 EDFAN= 6.953158-310 (DFA NCa energy)
5341 EDFAB= 2.650815-317 (DFA Beta energy)
5342 ETOT= -8.435777E+01 (total)
5343 RMS deviation from the reference structure: 4.236
5344 % of native contacts: 50.000
5345 % of nonnative contacts: 68.421
5346 contact order: 0.400
5347 TM-score with the reference structure: 0.24
5348 Conformation # 141 read
5351 Conformation # 140 sumsl return code 4
5353 Virtual-chain energies:
5355 EVDW= -5.645151E+01 WEIGHT= 1.352790D+00 (SC-SC)
5356 EVDW2= 6.044597E+01 WEIGHT= 1.593040D+00 (SC-p)
5357 EES= -1.145364E+02 WEIGHT= 7.153400D-01 (p-p)
5358 EVDWPP= -2.092793E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5359 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5360 EBE= -4.030256E+01 WEIGHT= 1.138730D+00 (bending)
5361 ESC= 3.586689E+01 WEIGHT= 1.625800D-01 (SC local)
5362 ETORS= 1.183785E+01 WEIGHT= 1.985990D+00 (torsional)
5363 ETORSD= 2.569821E-01 WEIGHT= 1.570690D+00 (double torsional)
5364 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5365 ECORR4= -8.174140E+01 WEIGHT= 4.288700D-01 (multi-body)
5366 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5367 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5368 EELLO= -1.712792E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5369 ETURN3= 1.731778E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5370 ETURN4= -6.682769E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
5371 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5372 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5373 EDIHC= 0.000000E+00 (dihedral angle constraints)
5374 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5375 UCONST= 0.000000E+00 (Constraint energy)
5376 EDFAD= 5.491269-315 (DFA distance energy)
5377 EDFAT= 6.953158-310 (DFA torsion energy)
5378 EDFAN= 6.953158-310 (DFA NCa energy)
5379 EDFAB= 2.650815-317 (DFA Beta energy)
5380 ETOT= -8.669181E+01 (total)
5381 RMS deviation from the reference structure: 4.091
5382 % of native contacts: 33.333
5383 % of nonnative contacts: 85.185
5384 contact order: 0.357
5385 TM-score with the reference structure: 0.29
5386 Conformation # 142 read
5389 Conformation # 141 sumsl return code 4
5391 Virtual-chain energies:
5393 EVDW= -5.034257E+01 WEIGHT= 1.352790D+00 (SC-SC)
5394 EVDW2= 5.442400E+01 WEIGHT= 1.593040D+00 (SC-p)
5395 EES= -1.209596E+02 WEIGHT= 7.153400D-01 (p-p)
5396 EVDWPP= -9.411377E+00 WEIGHT= 1.137100D-01 (p-p VDW)
5397 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5398 EBE= -4.015021E+01 WEIGHT= 1.138730D+00 (bending)
5399 ESC= 3.578735E+01 WEIGHT= 1.625800D-01 (SC local)
5400 ETORS= 1.459115E+01 WEIGHT= 1.985990D+00 (torsional)
5401 ETORSD= -1.096742E+00 WEIGHT= 1.570690D+00 (double torsional)
5402 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5403 ECORR4= -9.000401E+01 WEIGHT= 4.288700D-01 (multi-body)
5404 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5405 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5406 EELLO= -6.529157E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5407 ETURN3= 2.030217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5408 ETURN4= 6.080775E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5409 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5410 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5411 EDIHC= 0.000000E+00 (dihedral angle constraints)
5412 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5413 UCONST= 0.000000E+00 (Constraint energy)
5414 EDFAD= 5.491269-315 (DFA distance energy)
5415 EDFAT= 6.953158-310 (DFA torsion energy)
5416 EDFAN= 6.953158-310 (DFA NCa energy)
5417 EDFAB= 2.650815-317 (DFA Beta energy)
5418 ETOT= -8.569521E+01 (total)
5419 RMS deviation from the reference structure: 1.555
5420 % of native contacts: 66.667
5421 % of nonnative contacts: 60.000
5422 contact order: 0.264
5423 TM-score with the reference structure: 0.33
5424 Conformation # 143 read
5427 Conformation # 139 sumsl return code 4
5429 Virtual-chain energies:
5431 EVDW= -5.244726E+01 WEIGHT= 1.352790D+00 (SC-SC)
5432 EVDW2= 5.734514E+01 WEIGHT= 1.593040D+00 (SC-p)
5433 EES= -1.172652E+02 WEIGHT= 7.153400D-01 (p-p)
5434 EVDWPP= -1.521856E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5435 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5436 EBE= -4.199964E+01 WEIGHT= 1.138730D+00 (bending)
5437 ESC= 4.745964E+01 WEIGHT= 1.625800D-01 (SC local)
5438 ETORS= 1.357475E+01 WEIGHT= 1.985990D+00 (torsional)
5439 ETORSD= -1.633357E+00 WEIGHT= 1.570690D+00 (double torsional)
5440 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5441 ECORR4= -9.060960E+01 WEIGHT= 4.288700D-01 (multi-body)
5442 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5443 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5444 EELLO= -1.337424E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5445 ETURN3= 1.868176E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5446 ETURN4= -1.054629E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5447 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5448 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5449 EDIHC= 0.000000E+00 (dihedral angle constraints)
5450 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5451 UCONST= 0.000000E+00 (Constraint energy)
5452 EDFAD= 5.491269-315 (DFA distance energy)
5453 EDFAT= 6.953158-310 (DFA torsion energy)
5454 EDFAN= 6.953158-310 (DFA NCa energy)
5455 EDFAB= 2.650815-317 (DFA Beta energy)
5456 ETOT= -8.835924E+01 (total)
5457 RMS deviation from the reference structure: 2.565
5458 % of native contacts: 50.000
5459 % of nonnative contacts: 64.706
5460 contact order: 0.316
5461 TM-score with the reference structure: 0.30
5462 Conformation # 144 read
5465 Conformation # 143 sumsl return code 4
5467 Virtual-chain energies:
5469 EVDW= -5.168270E+01 WEIGHT= 1.352790D+00 (SC-SC)
5470 EVDW2= 4.466127E+01 WEIGHT= 1.593040D+00 (SC-p)
5471 EES= -8.769092E+01 WEIGHT= 7.153400D-01 (p-p)
5472 EVDWPP= -1.996815E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5473 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5474 EBE= -3.757063E+01 WEIGHT= 1.138730D+00 (bending)
5475 ESC= 4.149268E+01 WEIGHT= 1.625800D-01 (SC local)
5476 ETORS= 8.785018E+00 WEIGHT= 1.985990D+00 (torsional)
5477 ETORSD= -2.049599E+00 WEIGHT= 1.570690D+00 (double torsional)
5478 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5479 ECORR4= -6.622474E+01 WEIGHT= 4.288700D-01 (multi-body)
5480 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5481 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5482 EELLO= -1.140957E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5483 ETURN3= 1.805006E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5484 ETURN4= -2.270515E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5485 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5486 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5487 EDIHC= 0.000000E+00 (dihedral angle constraints)
5488 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5489 UCONST= 0.000000E+00 (Constraint energy)
5490 EDFAD= 5.491269-315 (DFA distance energy)
5491 EDFAT= 6.953158-310 (DFA torsion energy)
5492 EDFAN= 6.953158-310 (DFA NCa energy)
5493 EDFAB= 2.650815-317 (DFA Beta energy)
5494 ETOT= -8.521142E+01 (total)
5495 RMS deviation from the reference structure: 4.999
5496 % of native contacts: 41.667
5497 % of nonnative contacts: 75.000
5498 contact order: 0.332
5499 TM-score with the reference structure: 0.31
5500 Conformation # 145 read
5503 Conformation # 136 sumsl return code 4
5505 Virtual-chain energies:
5507 EVDW= -5.137167E+01 WEIGHT= 1.352790D+00 (SC-SC)
5508 EVDW2= 3.826020E+01 WEIGHT= 1.593040D+00 (SC-p)
5509 EES= -5.567136E+01 WEIGHT= 7.153400D-01 (p-p)
5510 EVDWPP= -3.534443E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5511 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5512 EBE= -3.385100E+01 WEIGHT= 1.138730D+00 (bending)
5513 ESC= 3.354404E+01 WEIGHT= 1.625800D-01 (SC local)
5514 ETORS= 2.827090E+00 WEIGHT= 1.985990D+00 (torsional)
5515 ETORSD= 4.226415E-01 WEIGHT= 1.570690D+00 (double torsional)
5516 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5517 ECORR4= -3.948086E+01 WEIGHT= 4.288700D-01 (multi-body)
5518 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5519 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5520 EELLO= -1.189720E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5521 ETURN3= 6.395225E+00 WEIGHT= 1.687220D+00 (turns, 3rd order)
5522 ETURN4= 1.666936E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5523 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5524 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5525 EDIHC= 0.000000E+00 (dihedral angle constraints)
5526 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5527 UCONST= 0.000000E+00 (Constraint energy)
5528 EDFAD= 5.491269-315 (DFA distance energy)
5529 EDFAT= 6.953158-310 (DFA torsion energy)
5530 EDFAN= 6.953158-310 (DFA NCa energy)
5531 EDFAB= 2.650815-317 (DFA Beta energy)
5532 ETOT= -8.443194E+01 (total)
5533 RMS deviation from the reference structure: 4.404
5534 % of native contacts: 25.000
5535 % of nonnative contacts: 83.333
5536 contact order: 0.432
5537 TM-score with the reference structure: 0.16
5538 Conformation # 146 read
5541 Conformation # 145 sumsl return code 4
5543 Virtual-chain energies:
5545 EVDW= -5.575753E+01 WEIGHT= 1.352790D+00 (SC-SC)
5546 EVDW2= 5.509284E+01 WEIGHT= 1.593040D+00 (SC-p)
5547 EES= -1.110953E+02 WEIGHT= 7.153400D-01 (p-p)
5548 EVDWPP= -2.497661E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5549 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5550 EBE= -3.835896E+01 WEIGHT= 1.138730D+00 (bending)
5551 ESC= 4.966412E+01 WEIGHT= 1.625800D-01 (SC local)
5552 ETORS= 1.307339E+01 WEIGHT= 1.985990D+00 (torsional)
5553 ETORSD= -1.560249E+00 WEIGHT= 1.570690D+00 (double torsional)
5554 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5555 ECORR4= -8.435212E+01 WEIGHT= 4.288700D-01 (multi-body)
5556 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5557 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5558 EELLO= -2.372683E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5559 ETURN3= 1.993729E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5560 ETURN4= -5.666365E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5561 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5562 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5563 EDIHC= 0.000000E+00 (dihedral angle constraints)
5564 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5565 UCONST= 0.000000E+00 (Constraint energy)
5566 EDFAD= 5.491269-315 (DFA distance energy)
5567 EDFAT= 6.953158-310 (DFA torsion energy)
5568 EDFAN= 6.953158-310 (DFA NCa energy)
5569 EDFAB= 2.650815-317 (DFA Beta energy)
5570 ETOT= -8.536057E+01 (total)
5571 RMS deviation from the reference structure: 2.696
5572 % of native contacts: 50.000
5573 % of nonnative contacts: 68.421
5574 contact order: 0.342
5575 TM-score with the reference structure: 0.30
5576 Conformation # 147 read
5579 Conformation # 128 sumsl return code 4
5581 Virtual-chain energies:
5583 EVDW= -5.109691E+01 WEIGHT= 1.352790D+00 (SC-SC)
5584 EVDW2= 4.613013E+01 WEIGHT= 1.593040D+00 (SC-p)
5585 EES= -9.116374E+01 WEIGHT= 7.153400D-01 (p-p)
5586 EVDWPP= -2.004559E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5587 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5588 EBE= -3.783304E+01 WEIGHT= 1.138730D+00 (bending)
5589 ESC= 3.334579E+01 WEIGHT= 1.625800D-01 (SC local)
5590 ETORS= 8.889354E+00 WEIGHT= 1.985990D+00 (torsional)
5591 ETORSD= -1.267366E+00 WEIGHT= 1.570690D+00 (double torsional)
5592 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5593 ECORR4= -6.914368E+01 WEIGHT= 4.288700D-01 (multi-body)
5594 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5595 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5596 EELLO= -3.942563E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5597 ETURN3= 1.833681E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5598 ETURN4= -2.484581E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5599 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5600 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5601 EDIHC= 0.000000E+00 (dihedral angle constraints)
5602 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5603 UCONST= 0.000000E+00 (Constraint energy)
5604 EDFAD= 5.491269-315 (DFA distance energy)
5605 EDFAT= 6.953158-310 (DFA torsion energy)
5606 EDFAN= 6.953158-310 (DFA NCa energy)
5607 EDFAB= 2.650815-317 (DFA Beta energy)
5608 ETOT= -8.611861E+01 (total)
5609 RMS deviation from the reference structure: 6.515
5610 % of native contacts: 16.667
5611 % of nonnative contacts: 88.889
5612 contact order: 0.240
5613 TM-score with the reference structure: 0.29
5614 Conformation # 148 read
5617 Conformation # 142 sumsl return code 4
5619 Virtual-chain energies:
5621 EVDW= -4.896946E+01 WEIGHT= 1.352790D+00 (SC-SC)
5622 EVDW2= 3.899465E+01 WEIGHT= 1.593040D+00 (SC-p)
5623 EES= -7.383812E+01 WEIGHT= 7.153400D-01 (p-p)
5624 EVDWPP= -2.362475E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5625 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5626 EBE= -3.763401E+01 WEIGHT= 1.138730D+00 (bending)
5627 ESC= 2.108967E+01 WEIGHT= 1.625800D-01 (SC local)
5628 ETORS= 7.452641E+00 WEIGHT= 1.985990D+00 (torsional)
5629 ETORSD= -2.118518E+00 WEIGHT= 1.570690D+00 (double torsional)
5630 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5631 ECORR4= -5.526611E+01 WEIGHT= 4.288700D-01 (multi-body)
5632 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5633 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5634 EELLO= -8.800915E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5635 ETURN3= 1.597271E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5636 ETURN4= 6.868818E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5637 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5638 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5639 EDIHC= 0.000000E+00 (dihedral angle constraints)
5640 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5641 UCONST= 0.000000E+00 (Constraint energy)
5642 EDFAD= 5.491269-315 (DFA distance energy)
5643 EDFAT= 6.953158-310 (DFA torsion energy)
5644 EDFAN= 6.953158-310 (DFA NCa energy)
5645 EDFAB= 2.650815-317 (DFA Beta energy)
5646 ETOT= -8.402268E+01 (total)
5647 RMS deviation from the reference structure: 4.847
5648 % of native contacts: 25.000
5649 % of nonnative contacts: 82.353
5650 contact order: 0.393
5651 TM-score with the reference structure: 0.28
5652 Conformation # 149 read
5655 Conformation # 144 sumsl return code 4
5657 Virtual-chain energies:
5659 EVDW= -5.547446E+01 WEIGHT= 1.352790D+00 (SC-SC)
5660 EVDW2= 5.257319E+01 WEIGHT= 1.593040D+00 (SC-p)
5661 EES= -1.074350E+02 WEIGHT= 7.153400D-01 (p-p)
5662 EVDWPP= -2.074813E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5663 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5664 EBE= -3.852376E+01 WEIGHT= 1.138730D+00 (bending)
5665 ESC= 3.706158E+01 WEIGHT= 1.625800D-01 (SC local)
5666 ETORS= 1.247413E+01 WEIGHT= 1.985990D+00 (torsional)
5667 ETORSD= -1.452256E+00 WEIGHT= 1.570690D+00 (double torsional)
5668 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5669 ECORR4= -8.046857E+01 WEIGHT= 4.288700D-01 (multi-body)
5670 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5671 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5672 EELLO= -2.466811E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5673 ETURN3= 2.058328E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5674 ETURN4= 8.747288E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
5675 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5676 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5677 EDIHC= 0.000000E+00 (dihedral angle constraints)
5678 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5679 UCONST= 0.000000E+00 (Constraint energy)
5680 EDFAD= 5.491269-315 (DFA distance energy)
5681 EDFAT= 6.953158-310 (DFA torsion energy)
5682 EDFAN= 6.953158-310 (DFA NCa energy)
5683 EDFAB= 2.650815-317 (DFA Beta energy)
5684 ETOT= -8.597580E+01 (total)
5685 RMS deviation from the reference structure: 2.113
5686 % of native contacts: 58.333
5687 % of nonnative contacts: 69.565
5688 contact order: 0.354
5689 TM-score with the reference structure: 0.30
5690 Conformation # 150 read
5693 Conformation # 147 sumsl return code 4
5695 Virtual-chain energies:
5697 EVDW= -5.155681E+01 WEIGHT= 1.352790D+00 (SC-SC)
5698 EVDW2= 4.818943E+01 WEIGHT= 1.593040D+00 (SC-p)
5699 EES= -8.335082E+01 WEIGHT= 7.153400D-01 (p-p)
5700 EVDWPP= -3.925071E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5701 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5702 EBE= -3.648071E+01 WEIGHT= 1.138730D+00 (bending)
5703 ESC= 2.712920E+01 WEIGHT= 1.625800D-01 (SC local)
5704 ETORS= 7.176380E+00 WEIGHT= 1.985990D+00 (torsional)
5705 ETORSD= -1.154835E-02 WEIGHT= 1.570690D+00 (double torsional)
5706 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5707 ECORR4= -6.235225E+01 WEIGHT= 4.288700D-01 (multi-body)
5708 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5709 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5710 EELLO= -5.790653E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5711 ETURN3= 1.316114E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5712 ETURN4= -1.944163E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5713 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5714 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5715 EDIHC= 0.000000E+00 (dihedral angle constraints)
5716 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5717 UCONST= 0.000000E+00 (Constraint energy)
5718 EDFAD= 5.491269-315 (DFA distance energy)
5719 EDFAT= 6.953158-310 (DFA torsion energy)
5720 EDFAN= 6.953158-310 (DFA NCa energy)
5721 EDFAB= 2.650815-317 (DFA Beta energy)
5722 ETOT= -8.671363E+01 (total)
5723 RMS deviation from the reference structure: 3.593
5724 % of native contacts: 41.667
5725 % of nonnative contacts: 76.190
5726 contact order: 0.381
5727 TM-score with the reference structure: 0.27
5728 Conformation # 151 read
5731 Conformation # 150 sumsl return code 4
5733 Virtual-chain energies:
5735 EVDW= -5.396932E+01 WEIGHT= 1.352790D+00 (SC-SC)
5736 EVDW2= 4.430282E+01 WEIGHT= 1.593040D+00 (SC-p)
5737 EES= -8.179717E+01 WEIGHT= 7.153400D-01 (p-p)
5738 EVDWPP= -3.128901E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5739 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5740 EBE= -3.421364E+01 WEIGHT= 1.138730D+00 (bending)
5741 ESC= 4.086732E+01 WEIGHT= 1.625800D-01 (SC local)
5742 ETORS= 6.028775E+00 WEIGHT= 1.985990D+00 (torsional)
5743 ETORSD= 2.895443E-01 WEIGHT= 1.570690D+00 (double torsional)
5744 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5745 ECORR4= -6.095709E+01 WEIGHT= 4.288700D-01 (multi-body)
5746 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5747 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5748 EELLO= -2.618412E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5749 ETURN3= 1.479271E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5750 ETURN4= -5.319512E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
5751 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5752 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5753 EDIHC= 0.000000E+00 (dihedral angle constraints)
5754 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5755 UCONST= 0.000000E+00 (Constraint energy)
5756 EDFAD= 5.491269-315 (DFA distance energy)
5757 EDFAT= 6.953158-310 (DFA torsion energy)
5758 EDFAN= 6.953158-310 (DFA NCa energy)
5759 EDFAB= 2.650815-317 (DFA Beta energy)
5760 ETOT= -8.603090E+01 (total)
5761 RMS deviation from the reference structure: 3.301
5762 % of native contacts: 66.667
5763 % of nonnative contacts: 60.000
5764 contact order: 0.295
5765 TM-score with the reference structure: 0.30
5766 Conformation # 152 read
5769 Conformation # 146 sumsl return code 4
5771 Virtual-chain energies:
5773 EVDW= -4.706777E+01 WEIGHT= 1.352790D+00 (SC-SC)
5774 EVDW2= 4.079806E+01 WEIGHT= 1.593040D+00 (SC-p)
5775 EES= -7.896290E+01 WEIGHT= 7.153400D-01 (p-p)
5776 EVDWPP= -1.797634E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5777 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5778 EBE= -4.035758E+01 WEIGHT= 1.138730D+00 (bending)
5779 ESC= 2.621479E+01 WEIGHT= 1.625800D-01 (SC local)
5780 ETORS= 7.445716E+00 WEIGHT= 1.985990D+00 (torsional)
5781 ETORSD= 7.402192E-01 WEIGHT= 1.570690D+00 (double torsional)
5782 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5783 ECORR4= -5.810581E+01 WEIGHT= 4.288700D-01 (multi-body)
5784 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5785 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5786 EELLO= -1.798879E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5787 ETURN3= 1.595769E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5788 ETURN4= -4.682979E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5789 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5790 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5791 EDIHC= 0.000000E+00 (dihedral angle constraints)
5792 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5793 UCONST= 0.000000E+00 (Constraint energy)
5794 EDFAD= 5.491269-315 (DFA distance energy)
5795 EDFAT= 6.953158-310 (DFA torsion energy)
5796 EDFAN= 6.953158-310 (DFA NCa energy)
5797 EDFAB= 2.650815-317 (DFA Beta energy)
5798 ETOT= -8.433961E+01 (total)
5799 RMS deviation from the reference structure: 4.735
5800 % of native contacts: 25.000
5801 % of nonnative contacts: 84.211
5802 contact order: 0.404
5803 TM-score with the reference structure: 0.30
5804 Conformation # 153 read
5807 Conformation # 152 sumsl return code 4
5809 Virtual-chain energies:
5811 EVDW= -5.315680E+01 WEIGHT= 1.352790D+00 (SC-SC)
5812 EVDW2= 4.772072E+01 WEIGHT= 1.593040D+00 (SC-p)
5813 EES= -8.983751E+01 WEIGHT= 7.153400D-01 (p-p)
5814 EVDWPP= -3.007430E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5815 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5816 EBE= -3.848395E+01 WEIGHT= 1.138730D+00 (bending)
5817 ESC= 4.971080E+01 WEIGHT= 1.625800D-01 (SC local)
5818 ETORS= 7.032006E+00 WEIGHT= 1.985990D+00 (torsional)
5819 ETORSD= 2.546598E-01 WEIGHT= 1.570690D+00 (double torsional)
5820 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5821 ECORR4= -6.816331E+01 WEIGHT= 4.288700D-01 (multi-body)
5822 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5823 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5824 EELLO= -4.178495E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5825 ETURN3= 1.548426E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5826 ETURN4= -1.915466E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5827 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5828 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5829 EDIHC= 0.000000E+00 (dihedral angle constraints)
5830 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5831 UCONST= 0.000000E+00 (Constraint energy)
5832 EDFAD= 5.491269-315 (DFA distance energy)
5833 EDFAT= 6.953158-310 (DFA torsion energy)
5834 EDFAN= 6.953158-310 (DFA NCa energy)
5835 EDFAB= 2.650815-317 (DFA Beta energy)
5836 ETOT= -8.999497E+01 (total)
5837 RMS deviation from the reference structure: 3.174
5838 % of native contacts: 66.667
5839 % of nonnative contacts: 63.636
5840 contact order: 0.275
5841 TM-score with the reference structure: 0.30
5842 Conformation # 154 read
5845 Conformation # 149 sumsl return code 4
5847 Virtual-chain energies:
5849 EVDW= -5.240783E+01 WEIGHT= 1.352790D+00 (SC-SC)
5850 EVDW2= 4.463085E+01 WEIGHT= 1.593040D+00 (SC-p)
5851 EES= -7.976189E+01 WEIGHT= 7.153400D-01 (p-p)
5852 EVDWPP= -3.251683E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5853 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5854 EBE= -3.889342E+01 WEIGHT= 1.138730D+00 (bending)
5855 ESC= 3.021142E+01 WEIGHT= 1.625800D-01 (SC local)
5856 ETORS= 8.528170E+00 WEIGHT= 1.985990D+00 (torsional)
5857 ETORSD= -1.299596E+00 WEIGHT= 1.570690D+00 (double torsional)
5858 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5859 ECORR4= -6.016795E+01 WEIGHT= 4.288700D-01 (multi-body)
5860 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5861 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5862 EELLO= -3.474699E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5863 ETURN3= 1.497701E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5864 ETURN4= -9.726432E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
5865 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5866 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5867 EDIHC= 0.000000E+00 (dihedral angle constraints)
5868 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5869 UCONST= 0.000000E+00 (Constraint energy)
5870 EDFAD= 5.491269-315 (DFA distance energy)
5871 EDFAT= 6.953158-310 (DFA torsion energy)
5872 EDFAN= 6.953158-310 (DFA NCa energy)
5873 EDFAB= 2.650815-317 (DFA Beta energy)
5874 ETOT= -8.619050E+01 (total)
5875 RMS deviation from the reference structure: 3.750
5876 % of native contacts: 41.667
5877 % of nonnative contacts: 76.190
5878 contact order: 0.390
5879 TM-score with the reference structure: 0.30
5880 Conformation # 155 read
5883 Conformation # 151 sumsl return code 4
5885 Virtual-chain energies:
5887 EVDW= -5.330591E+01 WEIGHT= 1.352790D+00 (SC-SC)
5888 EVDW2= 4.282622E+01 WEIGHT= 1.593040D+00 (SC-p)
5889 EES= -8.267678E+01 WEIGHT= 7.153400D-01 (p-p)
5890 EVDWPP= -1.994737E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5891 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5892 EBE= -3.994032E+01 WEIGHT= 1.138730D+00 (bending)
5893 ESC= 3.600043E+01 WEIGHT= 1.625800D-01 (SC local)
5894 ETORS= 9.243882E+00 WEIGHT= 1.985990D+00 (torsional)
5895 ETORSD= -4.562866E-01 WEIGHT= 1.570690D+00 (double torsional)
5896 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5897 ECORR4= -5.967925E+01 WEIGHT= 4.288700D-01 (multi-body)
5898 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5899 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5900 EELLO= 1.227015E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5901 ETURN3= 1.780265E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5902 ETURN4= -1.050642E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5903 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5904 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5905 EDIHC= 0.000000E+00 (dihedral angle constraints)
5906 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5907 UCONST= 0.000000E+00 (Constraint energy)
5908 EDFAD= 5.491269-315 (DFA distance energy)
5909 EDFAT= 6.953158-310 (DFA torsion energy)
5910 EDFAN= 6.953158-310 (DFA NCa energy)
5911 EDFAB= 2.650815-317 (DFA Beta energy)
5912 ETOT= -8.334150E+01 (total)
5913 RMS deviation from the reference structure: 4.003
5914 % of native contacts: 33.333
5915 % of nonnative contacts: 78.947
5916 contact order: 0.361
5917 TM-score with the reference structure: 0.28
5918 Conformation # 156 read
5921 Conformation # 153 sumsl return code 4
5923 Virtual-chain energies:
5925 EVDW= -5.568476E+01 WEIGHT= 1.352790D+00 (SC-SC)
5926 EVDW2= 4.586922E+01 WEIGHT= 1.593040D+00 (SC-p)
5927 EES= -8.771877E+01 WEIGHT= 7.153400D-01 (p-p)
5928 EVDWPP= -2.086863E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5929 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5930 EBE= -3.770630E+01 WEIGHT= 1.138730D+00 (bending)
5931 ESC= 4.192691E+01 WEIGHT= 1.625800D-01 (SC local)
5932 ETORS= 8.376770E+00 WEIGHT= 1.985990D+00 (torsional)
5933 ETORSD= -3.042681E-01 WEIGHT= 1.570690D+00 (double torsional)
5934 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5935 ECORR4= -6.628281E+01 WEIGHT= 4.288700D-01 (multi-body)
5936 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5937 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5938 EELLO= 3.792327E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5939 ETURN3= 1.739286E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5940 ETURN4= -2.555324E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5941 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5942 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5943 EDIHC= 0.000000E+00 (dihedral angle constraints)
5944 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5945 UCONST= 0.000000E+00 (Constraint energy)
5946 EDFAD= 5.491269-315 (DFA distance energy)
5947 EDFAT= 6.953158-310 (DFA torsion energy)
5948 EDFAN= 6.953158-310 (DFA NCa energy)
5949 EDFAB= 2.650815-317 (DFA Beta energy)
5950 ETOT= -8.805524E+01 (total)
5951 RMS deviation from the reference structure: 4.108
5952 % of native contacts: 33.333
5953 % of nonnative contacts: 81.818
5954 contact order: 0.374
5955 TM-score with the reference structure: 0.27
5956 Conformation # 157 read
5959 Conformation # 148 sumsl return code 4
5961 Virtual-chain energies:
5963 EVDW= -5.359528E+01 WEIGHT= 1.352790D+00 (SC-SC)
5964 EVDW2= 4.872944E+01 WEIGHT= 1.593040D+00 (SC-p)
5965 EES= -8.716265E+01 WEIGHT= 7.153400D-01 (p-p)
5966 EVDWPP= -3.501202E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5967 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5968 EBE= -3.731413E+01 WEIGHT= 1.138730D+00 (bending)
5969 ESC= 4.018802E+01 WEIGHT= 1.625800D-01 (SC local)
5970 ETORS= 7.680232E+00 WEIGHT= 1.985990D+00 (torsional)
5971 ETORSD= -8.194354E-01 WEIGHT= 1.570690D+00 (double torsional)
5972 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5973 ECORR4= -6.604564E+01 WEIGHT= 4.288700D-01 (multi-body)
5974 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5975 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5976 EELLO= -4.929471E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5977 ETURN3= 1.525257E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5978 ETURN4= -1.007015E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5979 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5980 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5981 EDIHC= 0.000000E+00 (dihedral angle constraints)
5982 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5983 UCONST= 0.000000E+00 (Constraint energy)
5984 EDFAD= 5.491269-315 (DFA distance energy)
5985 EDFAT= 6.953158-310 (DFA torsion energy)
5986 EDFAN= 6.953158-310 (DFA NCa energy)
5987 EDFAB= 2.650815-317 (DFA Beta energy)
5988 ETOT= -8.724651E+01 (total)
5989 RMS deviation from the reference structure: 3.544
5990 % of native contacts: 58.333
5991 % of nonnative contacts: 65.000
5992 contact order: 0.318
5993 TM-score with the reference structure: 0.28
5994 Conformation # 158 read
5997 Conformation # 130 sumsl return code 4
5999 Virtual-chain energies:
6001 EVDW= -5.390323E+01 WEIGHT= 1.352790D+00 (SC-SC)
6002 EVDW2= 4.965018E+01 WEIGHT= 1.593040D+00 (SC-p)
6003 EES= -1.013038E+02 WEIGHT= 7.153400D-01 (p-p)
6004 EVDWPP= -1.566271E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6005 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6006 EBE= -4.096682E+01 WEIGHT= 1.138730D+00 (bending)
6007 ESC= 4.208016E+01 WEIGHT= 1.625800D-01 (SC local)
6008 ETORS= 1.040712E+01 WEIGHT= 1.985990D+00 (torsional)
6009 ETORSD= -3.597264E-01 WEIGHT= 1.570690D+00 (double torsional)
6010 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6011 ECORR4= -6.941403E+01 WEIGHT= 4.288700D-01 (multi-body)
6012 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6013 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6014 EELLO= 1.127132E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6015 ETURN3= 1.979093E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6016 ETURN4= -2.397899E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6017 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6018 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6019 EDIHC= 0.000000E+00 (dihedral angle constraints)
6020 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6021 UCONST= 0.000000E+00 (Constraint energy)
6022 EDFAD= 5.491269-315 (DFA distance energy)
6023 EDFAT= 6.953158-310 (DFA torsion energy)
6024 EDFAN= 6.953158-310 (DFA NCa energy)
6025 EDFAB= 2.650815-317 (DFA Beta energy)
6026 ETOT= -8.556338E+01 (total)
6027 RMS deviation from the reference structure: 4.737
6028 % of native contacts: 25.000
6029 % of nonnative contacts: 84.211
6030 contact order: 0.323
6031 TM-score with the reference structure: 0.29
6032 Conformation # 159 read
6035 Conformation # 156 sumsl return code 4
6037 Virtual-chain energies:
6039 EVDW= -5.177085E+01 WEIGHT= 1.352790D+00 (SC-SC)
6040 EVDW2= 4.780030E+01 WEIGHT= 1.593040D+00 (SC-p)
6041 EES= -8.842148E+01 WEIGHT= 7.153400D-01 (p-p)
6042 EVDWPP= -2.872680E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6043 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6044 EBE= -3.856514E+01 WEIGHT= 1.138730D+00 (bending)
6045 ESC= 5.905370E+01 WEIGHT= 1.625800D-01 (SC local)
6046 ETORS= 7.244463E+00 WEIGHT= 1.985990D+00 (torsional)
6047 ETORSD= -2.026760E+00 WEIGHT= 1.570690D+00 (double torsional)
6048 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6049 ECORR4= -6.770924E+01 WEIGHT= 4.288700D-01 (multi-body)
6050 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6051 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6052 EELLO= 3.308956E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6053 ETURN3= 1.675430E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6054 ETURN4= -7.432571E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6055 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6056 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6057 EDIHC= 0.000000E+00 (dihedral angle constraints)
6058 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6059 UCONST= 0.000000E+00 (Constraint energy)
6060 EDFAD= 5.491269-315 (DFA distance energy)
6061 EDFAT= 6.953158-310 (DFA torsion energy)
6062 EDFAN= 6.953158-310 (DFA NCa energy)
6063 EDFAB= 2.650815-317 (DFA Beta energy)
6064 ETOT= -8.424746E+01 (total)
6065 RMS deviation from the reference structure: 5.387
6066 % of native contacts: 33.333
6067 % of nonnative contacts: 80.000
6068 contact order: 0.230
6069 TM-score with the reference structure: 0.29
6070 Conformation # 160 read
6073 Conformation # 154 sumsl return code 4
6075 Virtual-chain energies:
6077 EVDW= -5.249458E+01 WEIGHT= 1.352790D+00 (SC-SC)
6078 EVDW2= 4.202808E+01 WEIGHT= 1.593040D+00 (SC-p)
6079 EES= -7.768082E+01 WEIGHT= 7.153400D-01 (p-p)
6080 EVDWPP= -2.826384E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6081 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6082 EBE= -3.674698E+01 WEIGHT= 1.138730D+00 (bending)
6083 ESC= 2.612357E+01 WEIGHT= 1.625800D-01 (SC local)
6084 ETORS= 7.760077E+00 WEIGHT= 1.985990D+00 (torsional)
6085 ETORSD= -1.921347E+00 WEIGHT= 1.570690D+00 (double torsional)
6086 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6087 ECORR4= -5.787341E+01 WEIGHT= 4.288700D-01 (multi-body)
6088 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6089 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6090 EELLO= 6.220704E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6091 ETURN3= 1.592056E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6092 ETURN4= 5.023273E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
6093 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6094 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6095 EDIHC= 0.000000E+00 (dihedral angle constraints)
6096 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6097 UCONST= 0.000000E+00 (Constraint energy)
6098 EDFAD= 5.491269-315 (DFA distance energy)
6099 EDFAT= 6.953158-310 (DFA torsion energy)
6100 EDFAN= 6.953158-310 (DFA NCa energy)
6101 EDFAB= 2.650815-317 (DFA Beta energy)
6102 ETOT= -8.587361E+01 (total)
6103 RMS deviation from the reference structure: 4.128
6104 % of native contacts: 25.000
6105 % of nonnative contacts: 85.714
6106 contact order: 0.405
6107 TM-score with the reference structure: 0.26
6108 Conformation # 161 read
6111 Conformation # 160 sumsl return code 4
6113 Virtual-chain energies:
6115 EVDW= -5.228110E+01 WEIGHT= 1.352790D+00 (SC-SC)
6116 EVDW2= 4.964238E+01 WEIGHT= 1.593040D+00 (SC-p)
6117 EES= -9.320658E+01 WEIGHT= 7.153400D-01 (p-p)
6118 EVDWPP= -2.852559E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6119 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6120 EBE= -3.819485E+01 WEIGHT= 1.138730D+00 (bending)
6121 ESC= 4.190529E+01 WEIGHT= 1.625800D-01 (SC local)
6122 ETORS= 8.954317E+00 WEIGHT= 1.985990D+00 (torsional)
6123 ETORSD= -2.031568E+00 WEIGHT= 1.570690D+00 (double torsional)
6124 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6125 ECORR4= -6.496078E+01 WEIGHT= 4.288700D-01 (multi-body)
6126 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6127 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6128 EELLO= -2.981499E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6129 ETURN3= 1.625952E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6130 ETURN4= 4.057457E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6131 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6132 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6133 EDIHC= 0.000000E+00 (dihedral angle constraints)
6134 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6135 UCONST= 0.000000E+00 (Constraint energy)
6136 EDFAD= 5.491269-315 (DFA distance energy)
6137 EDFAT= 6.953158-310 (DFA torsion energy)
6138 EDFAN= 6.953158-310 (DFA NCa energy)
6139 EDFAB= 2.650815-317 (DFA Beta energy)
6140 ETOT= -8.385496E+01 (total)
6141 RMS deviation from the reference structure: 4.542
6142 % of native contacts: 41.667
6143 % of nonnative contacts: 76.190
6144 contact order: 0.294
6145 TM-score with the reference structure: 0.28
6146 Conformation # 162 read
6149 Conformation # 155 sumsl return code 4
6151 Virtual-chain energies:
6153 EVDW= -5.102233E+01 WEIGHT= 1.352790D+00 (SC-SC)
6154 EVDW2= 5.347376E+01 WEIGHT= 1.593040D+00 (SC-p)
6155 EES= -1.144757E+02 WEIGHT= 7.153400D-01 (p-p)
6156 EVDWPP= -2.469975E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6157 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6158 EBE= -4.098015E+01 WEIGHT= 1.138730D+00 (bending)
6159 ESC= 3.814724E+01 WEIGHT= 1.625800D-01 (SC local)
6160 ETORS= 1.388686E+01 WEIGHT= 1.985990D+00 (torsional)
6161 ETORSD= 1.982969E+00 WEIGHT= 1.570690D+00 (double torsional)
6162 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6163 ECORR4= -8.096849E+01 WEIGHT= 4.288700D-01 (multi-body)
6164 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6165 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6166 EELLO= -7.687537E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6167 ETURN3= 1.882570E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6168 ETURN4= -1.959563E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6169 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6170 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6171 EDIHC= 0.000000E+00 (dihedral angle constraints)
6172 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6173 UCONST= 0.000000E+00 (Constraint energy)
6174 EDFAD= 5.491269-315 (DFA distance energy)
6175 EDFAT= 6.953158-310 (DFA torsion energy)
6176 EDFAN= 6.953158-310 (DFA NCa energy)
6177 EDFAB= 2.650815-317 (DFA Beta energy)
6178 ETOT= -8.379634E+01 (total)
6179 RMS deviation from the reference structure: 3.185
6180 % of native contacts: 33.333
6181 % of nonnative contacts: 80.000
6182 contact order: 0.291
6183 TM-score with the reference structure: 0.39
6184 Conformation # 163 read
6187 Conformation # 161 sumsl return code 4
6189 Virtual-chain energies:
6191 EVDW= -5.365628E+01 WEIGHT= 1.352790D+00 (SC-SC)
6192 EVDW2= 4.783546E+01 WEIGHT= 1.593040D+00 (SC-p)
6193 EES= -8.158648E+01 WEIGHT= 7.153400D-01 (p-p)
6194 EVDWPP= -4.130713E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6195 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6196 EBE= -3.800202E+01 WEIGHT= 1.138730D+00 (bending)
6197 ESC= 3.046997E+01 WEIGHT= 1.625800D-01 (SC local)
6198 ETORS= 7.342562E+00 WEIGHT= 1.985990D+00 (torsional)
6199 ETORSD= 8.754059E-02 WEIGHT= 1.570690D+00 (double torsional)
6200 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6201 ECORR4= -6.094880E+01 WEIGHT= 4.288700D-01 (multi-body)
6202 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6203 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6204 EELLO= -5.988711E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6205 ETURN3= 1.313683E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6206 ETURN4= -1.659103E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6207 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6208 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6209 EDIHC= 0.000000E+00 (dihedral angle constraints)
6210 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6211 UCONST= 0.000000E+00 (Constraint energy)
6212 EDFAD= 5.491269-315 (DFA distance energy)
6213 EDFAT= 6.953158-310 (DFA torsion energy)
6214 EDFAN= 6.953158-310 (DFA NCa energy)
6215 EDFAB= 2.650815-317 (DFA Beta energy)
6216 ETOT= -8.907503E+01 (total)
6217 RMS deviation from the reference structure: 3.731
6218 % of native contacts: 41.667
6219 % of nonnative contacts: 78.261
6220 contact order: 0.399
6221 TM-score with the reference structure: 0.29
6222 Conformation # 164 read
6225 Conformation # 162 sumsl return code 4
6227 Virtual-chain energies:
6229 EVDW= -5.297196E+01 WEIGHT= 1.352790D+00 (SC-SC)
6230 EVDW2= 4.274867E+01 WEIGHT= 1.593040D+00 (SC-p)
6231 EES= -8.752295E+01 WEIGHT= 7.153400D-01 (p-p)
6232 EVDWPP= -2.449538E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6233 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6234 EBE= -3.874635E+01 WEIGHT= 1.138730D+00 (bending)
6235 ESC= 3.442256E+01 WEIGHT= 1.625800D-01 (SC local)
6236 ETORS= 9.875904E+00 WEIGHT= 1.985990D+00 (torsional)
6237 ETORSD= -1.381948E+00 WEIGHT= 1.570690D+00 (double torsional)
6238 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6239 ECORR4= -6.481657E+01 WEIGHT= 4.288700D-01 (multi-body)
6240 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6241 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6242 EELLO= -2.104344E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6243 ETURN3= 1.906658E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6244 ETURN4= -1.688883E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6245 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6246 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6247 EDIHC= 0.000000E+00 (dihedral angle constraints)
6248 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6249 UCONST= 0.000000E+00 (Constraint energy)
6250 EDFAD= 5.491269-315 (DFA distance energy)
6251 EDFAT= 6.953158-310 (DFA torsion energy)
6252 EDFAN= 6.953158-310 (DFA NCa energy)
6253 EDFAB= 2.650815-317 (DFA Beta energy)
6254 ETOT= -8.712038E+01 (total)
6255 RMS deviation from the reference structure: 3.306
6256 % of native contacts: 41.667
6257 % of nonnative contacts: 76.190
6258 contact order: 0.333
6259 TM-score with the reference structure: 0.30
6260 Conformation # 165 read
6263 Conformation # 158 sumsl return code 4
6265 Virtual-chain energies:
6267 EVDW= -5.595937E+01 WEIGHT= 1.352790D+00 (SC-SC)
6268 EVDW2= 4.650320E+01 WEIGHT= 1.593040D+00 (SC-p)
6269 EES= -8.998371E+01 WEIGHT= 7.153400D-01 (p-p)
6270 EVDWPP= -2.278375E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6271 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6272 EBE= -3.883679E+01 WEIGHT= 1.138730D+00 (bending)
6273 ESC= 4.943238E+01 WEIGHT= 1.625800D-01 (SC local)
6274 ETORS= 1.043145E+01 WEIGHT= 1.985990D+00 (torsional)
6275 ETORSD= -1.731760E+00 WEIGHT= 1.570690D+00 (double torsional)
6276 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6277 ECORR4= -6.305491E+01 WEIGHT= 4.288700D-01 (multi-body)
6278 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6279 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6280 EELLO= 1.827503E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6281 ETURN3= 1.947147E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6282 ETURN4= -5.488167E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6283 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6284 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6285 EDIHC= 0.000000E+00 (dihedral angle constraints)
6286 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6287 UCONST= 0.000000E+00 (Constraint energy)
6288 EDFAD= 5.491269-315 (DFA distance energy)
6289 EDFAT= 6.953158-310 (DFA torsion energy)
6290 EDFAN= 6.953158-310 (DFA NCa energy)
6291 EDFAB= 2.650815-317 (DFA Beta energy)
6292 ETOT= -8.430218E+01 (total)
6293 RMS deviation from the reference structure: 7.144
6294 % of native contacts: 16.667
6295 % of nonnative contacts: 90.000
6296 contact order: 0.270
6297 TM-score with the reference structure: 0.30
6298 Conformation # 166 read
6301 Conformation # 165 sumsl return code 4
6303 Virtual-chain energies:
6305 EVDW= -5.153044E+01 WEIGHT= 1.352790D+00 (SC-SC)
6306 EVDW2= 3.612537E+01 WEIGHT= 1.593040D+00 (SC-p)
6307 EES= -6.648725E+01 WEIGHT= 7.153400D-01 (p-p)
6308 EVDWPP= -2.668271E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6309 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6310 EBE= -3.891116E+01 WEIGHT= 1.138730D+00 (bending)
6311 ESC= 3.558682E+01 WEIGHT= 1.625800D-01 (SC local)
6312 ETORS= 8.961967E+00 WEIGHT= 1.985990D+00 (torsional)
6313 ETORSD= -2.282324E+00 WEIGHT= 1.570690D+00 (double torsional)
6314 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6315 ECORR4= -4.938073E+01 WEIGHT= 4.288700D-01 (multi-body)
6316 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6317 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6318 EELLO= 4.734051E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6319 ETURN3= 1.432445E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6320 ETURN4= 3.015546E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6321 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6322 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6323 EDIHC= 0.000000E+00 (dihedral angle constraints)
6324 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6325 UCONST= 0.000000E+00 (Constraint energy)
6326 EDFAD= 5.491269-315 (DFA distance energy)
6327 EDFAT= 6.953158-310 (DFA torsion energy)
6328 EDFAN= 6.953158-310 (DFA NCa energy)
6329 EDFAB= 2.650815-317 (DFA Beta energy)
6330 ETOT= -8.379960E+01 (total)
6331 RMS deviation from the reference structure: 5.136
6332 % of native contacts: 33.333
6333 % of nonnative contacts: 78.947
6334 contact order: 0.361
6335 TM-score with the reference structure: 0.29
6336 Conformation # 167 read
6339 Conformation # 157 sumsl return code 4
6341 Virtual-chain energies:
6343 EVDW= -5.147873E+01 WEIGHT= 1.352790D+00 (SC-SC)
6344 EVDW2= 4.633755E+01 WEIGHT= 1.593040D+00 (SC-p)
6345 EES= -9.433905E+01 WEIGHT= 7.153400D-01 (p-p)
6346 EVDWPP= -2.368798E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6347 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6348 EBE= -4.131301E+01 WEIGHT= 1.138730D+00 (bending)
6349 ESC= 3.049782E+01 WEIGHT= 1.625800D-01 (SC local)
6350 ETORS= 1.189233E+01 WEIGHT= 1.985990D+00 (torsional)
6351 ETORSD= -1.181067E+00 WEIGHT= 1.570690D+00 (double torsional)
6352 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6353 ECORR4= -6.699182E+01 WEIGHT= 4.288700D-01 (multi-body)
6354 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6355 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6356 EELLO= -2.127157E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6357 ETURN3= 1.639522E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6358 ETURN4= 1.167567E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6359 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6360 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6361 EDIHC= 0.000000E+00 (dihedral angle constraints)
6362 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6363 UCONST= 0.000000E+00 (Constraint energy)
6364 EDFAD= 5.491269-315 (DFA distance energy)
6365 EDFAT= 6.953158-310 (DFA torsion energy)
6366 EDFAN= 6.953158-310 (DFA NCa energy)
6367 EDFAB= 2.650815-317 (DFA Beta energy)
6368 ETOT= -8.695974E+01 (total)
6369 RMS deviation from the reference structure: 3.789
6370 % of native contacts: 33.333
6371 % of nonnative contacts: 80.000
6372 contact order: 0.393
6373 TM-score with the reference structure: 0.26
6374 Conformation # 168 read
6377 Conformation # 163 sumsl return code 4
6379 Virtual-chain energies:
6381 EVDW= -5.413799E+01 WEIGHT= 1.352790D+00 (SC-SC)
6382 EVDW2= 4.954929E+01 WEIGHT= 1.593040D+00 (SC-p)
6383 EES= -9.679368E+01 WEIGHT= 7.153400D-01 (p-p)
6384 EVDWPP= -2.856542E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6385 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6386 EBE= -4.094072E+01 WEIGHT= 1.138730D+00 (bending)
6387 ESC= 2.949066E+01 WEIGHT= 1.625800D-01 (SC local)
6388 ETORS= 1.011359E+01 WEIGHT= 1.985990D+00 (torsional)
6389 ETORSD= 1.502252E+00 WEIGHT= 1.570690D+00 (double torsional)
6390 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6391 ECORR4= -6.710760E+01 WEIGHT= 4.288700D-01 (multi-body)
6392 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6393 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6394 EELLO= -4.606871E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6395 ETURN3= 1.617372E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6396 ETURN4= 7.685175E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6397 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6398 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6399 EDIHC= 0.000000E+00 (dihedral angle constraints)
6400 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6401 UCONST= 0.000000E+00 (Constraint energy)
6402 EDFAD= 5.491269-315 (DFA distance energy)
6403 EDFAT= 6.953158-310 (DFA torsion energy)
6404 EDFAN= 6.953158-310 (DFA NCa energy)
6405 EDFAB= 2.650815-317 (DFA Beta energy)
6406 ETOT= -8.789425E+01 (total)
6407 RMS deviation from the reference structure: 4.237
6408 % of native contacts: 33.333
6409 % of nonnative contacts: 81.818
6410 contact order: 0.382
6411 TM-score with the reference structure: 0.22
6412 Conformation # 169 read
6415 Conformation # 167 sumsl return code 4
6417 Virtual-chain energies:
6419 EVDW= -5.233602E+01 WEIGHT= 1.352790D+00 (SC-SC)
6420 EVDW2= 4.579518E+01 WEIGHT= 1.593040D+00 (SC-p)
6421 EES= -8.564827E+01 WEIGHT= 7.153400D-01 (p-p)
6422 EVDWPP= -3.120805E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6423 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6424 EBE= -3.894785E+01 WEIGHT= 1.138730D+00 (bending)
6425 ESC= 4.277435E+01 WEIGHT= 1.625800D-01 (SC local)
6426 ETORS= 7.104415E+00 WEIGHT= 1.985990D+00 (torsional)
6427 ETORSD= 6.917291E-01 WEIGHT= 1.570690D+00 (double torsional)
6428 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6429 ECORR4= -6.483157E+01 WEIGHT= 4.288700D-01 (multi-body)
6430 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6431 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6432 EELLO= -3.661002E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6433 ETURN3= 1.583285E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6434 ETURN4= -2.424840E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6435 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6436 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6437 EDIHC= 0.000000E+00 (dihedral angle constraints)
6438 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6439 UCONST= 0.000000E+00 (Constraint energy)
6440 EDFAD= 5.491269-315 (DFA distance energy)
6441 EDFAT= 6.953158-310 (DFA torsion energy)
6442 EDFAN= 6.953158-310 (DFA NCa energy)
6443 EDFAB= 2.650815-317 (DFA Beta energy)
6444 ETOT= -8.814729E+01 (total)
6445 RMS deviation from the reference structure: 2.874
6446 % of native contacts: 50.000
6447 % of nonnative contacts: 68.421
6448 contact order: 0.280
6449 TM-score with the reference structure: 0.30
6450 Conformation # 170 read
6453 Conformation # 164 sumsl return code 4
6455 Virtual-chain energies:
6457 EVDW= -5.312852E+01 WEIGHT= 1.352790D+00 (SC-SC)
6458 EVDW2= 4.463897E+01 WEIGHT= 1.593040D+00 (SC-p)
6459 EES= -8.414070E+01 WEIGHT= 7.153400D-01 (p-p)
6460 EVDWPP= -3.016515E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6461 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6462 EBE= -3.651662E+01 WEIGHT= 1.138730D+00 (bending)
6463 ESC= 2.544658E+01 WEIGHT= 1.625800D-01 (SC local)
6464 ETORS= 8.549284E+00 WEIGHT= 1.985990D+00 (torsional)
6465 ETORSD= -1.278552E+00 WEIGHT= 1.570690D+00 (double torsional)
6466 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6467 ECORR4= -6.113391E+01 WEIGHT= 4.288700D-01 (multi-body)
6468 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6469 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6470 EELLO= 4.911480E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6471 ETURN3= 1.596057E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6472 ETURN4= 2.485834E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6473 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6474 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6475 EDIHC= 0.000000E+00 (dihedral angle constraints)
6476 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6477 UCONST= 0.000000E+00 (Constraint energy)
6478 EDFAD= 5.491269-315 (DFA distance energy)
6479 EDFAT= 6.953158-310 (DFA torsion energy)
6480 EDFAN= 6.953158-310 (DFA NCa energy)
6481 EDFAB= 2.650815-317 (DFA Beta energy)
6482 ETOT= -8.370977E+01 (total)
6483 RMS deviation from the reference structure: 2.832
6484 % of native contacts: 66.667
6485 % of nonnative contacts: 57.895
6486 contact order: 0.344
6487 TM-score with the reference structure: 0.28
6488 Conformation # 171 read
6491 Conformation # 169 sumsl return code 4
6493 Virtual-chain energies:
6495 EVDW= -5.590786E+01 WEIGHT= 1.352790D+00 (SC-SC)
6496 EVDW2= 5.996003E+01 WEIGHT= 1.593040D+00 (SC-p)
6497 EES= -1.141322E+02 WEIGHT= 7.153400D-01 (p-p)
6498 EVDWPP= -2.105772E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6499 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6500 EBE= -3.856141E+01 WEIGHT= 1.138730D+00 (bending)
6501 ESC= 3.525815E+01 WEIGHT= 1.625800D-01 (SC local)
6502 ETORS= 1.175111E+01 WEIGHT= 1.985990D+00 (torsional)
6503 ETORSD= 3.341056E-01 WEIGHT= 1.570690D+00 (double torsional)
6504 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6505 ECORR4= -8.130017E+01 WEIGHT= 4.288700D-01 (multi-body)
6506 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6507 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6508 EELLO= -1.773832E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6509 ETURN3= 1.723996E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6510 ETURN4= -2.174814E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6511 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6512 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6513 EDIHC= 0.000000E+00 (dihedral angle constraints)
6514 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6515 UCONST= 0.000000E+00 (Constraint energy)
6516 EDFAD= 5.491269-315 (DFA distance energy)
6517 EDFAT= 6.953158-310 (DFA torsion energy)
6518 EDFAN= 6.953158-310 (DFA NCa energy)
6519 EDFAB= 2.650815-317 (DFA Beta energy)
6520 ETOT= -8.467517E+01 (total)
6521 RMS deviation from the reference structure: 4.091
6522 % of native contacts: 33.333
6523 % of nonnative contacts: 84.615
6524 contact order: 0.348
6525 TM-score with the reference structure: 0.29
6526 Conformation # 172 read
6529 Conformation # 171 sumsl return code 4
6531 Virtual-chain energies:
6533 EVDW= -5.217333E+01 WEIGHT= 1.352790D+00 (SC-SC)
6534 EVDW2= 5.316804E+01 WEIGHT= 1.593040D+00 (SC-p)
6535 EES= -1.069891E+02 WEIGHT= 7.153400D-01 (p-p)
6536 EVDWPP= -2.892219E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6537 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6538 EBE= -3.772521E+01 WEIGHT= 1.138730D+00 (bending)
6539 ESC= 4.511985E+01 WEIGHT= 1.625800D-01 (SC local)
6540 ETORS= 1.107330E+01 WEIGHT= 1.985990D+00 (torsional)
6541 ETORSD= -1.383298E+00 WEIGHT= 1.570690D+00 (double torsional)
6542 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6543 ECORR4= -8.063446E+01 WEIGHT= 4.288700D-01 (multi-body)
6544 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6545 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6546 EELLO= -6.405735E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6547 ETURN3= 1.858560E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6548 ETURN4= 4.244372E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6549 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6550 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6551 EDIHC= 0.000000E+00 (dihedral angle constraints)
6552 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6553 UCONST= 0.000000E+00 (Constraint energy)
6554 EDFAD= 5.491269-315 (DFA distance energy)
6555 EDFAT= 6.953158-310 (DFA torsion energy)
6556 EDFAN= 6.953158-310 (DFA NCa energy)
6557 EDFAB= 2.650815-317 (DFA Beta energy)
6558 ETOT= -8.547741E+01 (total)
6559 RMS deviation from the reference structure: 3.320
6560 % of native contacts: 16.667
6561 % of nonnative contacts: 88.235
6562 contact order: 0.214
6563 TM-score with the reference structure: 0.30
6564 Conformation # 173 read
6567 Conformation # 168 sumsl return code 4
6569 Virtual-chain energies:
6571 EVDW= -5.458792E+01 WEIGHT= 1.352790D+00 (SC-SC)
6572 EVDW2= 4.766625E+01 WEIGHT= 1.593040D+00 (SC-p)
6573 EES= -9.173334E+01 WEIGHT= 7.153400D-01 (p-p)
6574 EVDWPP= -2.962082E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6575 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6576 EBE= -3.686264E+01 WEIGHT= 1.138730D+00 (bending)
6577 ESC= 4.840521E+01 WEIGHT= 1.625800D-01 (SC local)
6578 ETORS= 7.603433E+00 WEIGHT= 1.985990D+00 (torsional)
6579 ETORSD= 1.583762E-01 WEIGHT= 1.570690D+00 (double torsional)
6580 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6581 ECORR4= -6.969779E+01 WEIGHT= 4.288700D-01 (multi-body)
6582 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6583 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6584 EELLO= -5.235385E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6585 ETURN3= 1.642394E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6586 ETURN4= -1.159022E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6587 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6588 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6589 EDIHC= 0.000000E+00 (dihedral angle constraints)
6590 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6591 UCONST= 0.000000E+00 (Constraint energy)
6592 EDFAD= 5.491269-315 (DFA distance energy)
6593 EDFAT= 6.953158-310 (DFA torsion energy)
6594 EDFAN= 6.953158-310 (DFA NCa energy)
6595 EDFAB= 2.650815-317 (DFA Beta energy)
6596 ETOT= -8.944589E+01 (total)
6597 RMS deviation from the reference structure: 3.337
6598 % of native contacts: 66.667
6599 % of nonnative contacts: 65.217
6600 contact order: 0.292
6601 TM-score with the reference structure: 0.32
6602 Conformation # 174 read
6605 Conformation # 172 sumsl return code 4
6607 Virtual-chain energies:
6609 EVDW= -4.839551E+01 WEIGHT= 1.352790D+00 (SC-SC)
6610 EVDW2= 4.889262E+01 WEIGHT= 1.593040D+00 (SC-p)
6611 EES= -9.598909E+01 WEIGHT= 7.153400D-01 (p-p)
6612 EVDWPP= -2.184953E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6613 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6614 EBE= -4.052573E+01 WEIGHT= 1.138730D+00 (bending)
6615 ESC= 3.004370E+01 WEIGHT= 1.625800D-01 (SC local)
6616 ETORS= 8.767030E+00 WEIGHT= 1.985990D+00 (torsional)
6617 ETORSD= -1.798934E+00 WEIGHT= 1.570690D+00 (double torsional)
6618 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6619 ECORR4= -6.964763E+01 WEIGHT= 4.288700D-01 (multi-body)
6620 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6621 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6622 EELLO= -3.281299E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6623 ETURN3= 1.899748E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6624 ETURN4= -1.694982E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6625 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6626 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6627 EDIHC= 0.000000E+00 (dihedral angle constraints)
6628 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6629 UCONST= 0.000000E+00 (Constraint energy)
6630 EDFAD= 5.491269-315 (DFA distance energy)
6631 EDFAT= 6.953158-310 (DFA torsion energy)
6632 EDFAN= 6.953158-310 (DFA NCa energy)
6633 EDFAB= 2.650815-317 (DFA Beta energy)
6634 ETOT= -8.487372E+01 (total)
6635 RMS deviation from the reference structure: 4.975
6636 % of native contacts: 25.000
6637 % of nonnative contacts: 84.211
6638 contact order: 0.347
6639 TM-score with the reference structure: 0.29
6640 Conformation # 175 read
6643 Conformation # 173 sumsl return code 4
6645 Virtual-chain energies:
6647 EVDW= -5.015018E+01 WEIGHT= 1.352790D+00 (SC-SC)
6648 EVDW2= 5.113216E+01 WEIGHT= 1.593040D+00 (SC-p)
6649 EES= -9.474292E+01 WEIGHT= 7.153400D-01 (p-p)
6650 EVDWPP= -2.682747E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6651 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6652 EBE= -4.151050E+01 WEIGHT= 1.138730D+00 (bending)
6653 ESC= 3.973033E+01 WEIGHT= 1.625800D-01 (SC local)
6654 ETORS= 1.190882E+01 WEIGHT= 1.985990D+00 (torsional)
6655 ETORSD= -2.688992E+00 WEIGHT= 1.570690D+00 (double torsional)
6656 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6657 ECORR4= -7.420177E+01 WEIGHT= 4.288700D-01 (multi-body)
6658 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6659 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6660 EELLO= 1.938192E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6661 ETURN3= 1.491486E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6662 ETURN4= 2.365172E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6663 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6664 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6665 EDIHC= 0.000000E+00 (dihedral angle constraints)
6666 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6667 UCONST= 0.000000E+00 (Constraint energy)
6668 EDFAD= 5.491269-315 (DFA distance energy)
6669 EDFAT= 6.953158-310 (DFA torsion energy)
6670 EDFAN= 6.953158-310 (DFA NCa energy)
6671 EDFAB= 2.650815-317 (DFA Beta energy)
6672 ETOT= -8.337470E+01 (total)
6673 RMS deviation from the reference structure: 3.069
6674 % of native contacts: 66.667
6675 % of nonnative contacts: 60.000
6676 contact order: 0.389
6677 TM-score with the reference structure: 0.26
6678 Conformation # 176 read
6681 Conformation # 175 sumsl return code 4
6683 Virtual-chain energies:
6685 EVDW= -5.137608E+01 WEIGHT= 1.352790D+00 (SC-SC)
6686 EVDW2= 3.959961E+01 WEIGHT= 1.593040D+00 (SC-p)
6687 EES= -6.740231E+01 WEIGHT= 7.153400D-01 (p-p)
6688 EVDWPP= -2.806596E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6689 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6690 EBE= -3.958164E+01 WEIGHT= 1.138730D+00 (bending)
6691 ESC= 3.555227E+01 WEIGHT= 1.625800D-01 (SC local)
6692 ETORS= 8.263582E+00 WEIGHT= 1.985990D+00 (torsional)
6693 ETORSD= -2.735830E+00 WEIGHT= 1.570690D+00 (double torsional)
6694 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6695 ECORR4= -5.165243E+01 WEIGHT= 4.288700D-01 (multi-body)
6696 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6697 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6698 EELLO= 5.493571E-02 WEIGHT= 1.603600D-01 (electrostatic-local)
6699 ETURN3= 1.400653E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6700 ETURN4= -1.689443E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6701 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6702 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6703 EDIHC= 0.000000E+00 (dihedral angle constraints)
6704 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6705 UCONST= 0.000000E+00 (Constraint energy)
6706 EDFAD= 5.491269-315 (DFA distance energy)
6707 EDFAT= 6.953158-310 (DFA torsion energy)
6708 EDFAN= 6.953158-310 (DFA NCa energy)
6709 EDFAB= 2.650815-317 (DFA Beta energy)
6710 ETOT= -8.362585E+01 (total)
6711 RMS deviation from the reference structure: 5.668
6712 % of native contacts: 33.333
6713 % of nonnative contacts: 78.947
6714 contact order: 0.304
6715 TM-score with the reference structure: 0.33
6716 Conformation # 177 read
6719 Conformation # 176 sumsl return code 4
6721 Virtual-chain energies:
6723 EVDW= -5.116541E+01 WEIGHT= 1.352790D+00 (SC-SC)
6724 EVDW2= 3.886986E+01 WEIGHT= 1.593040D+00 (SC-p)
6725 EES= -7.097200E+01 WEIGHT= 7.153400D-01 (p-p)
6726 EVDWPP= -2.484384E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6727 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6728 EBE= -3.784236E+01 WEIGHT= 1.138730D+00 (bending)
6729 ESC= 2.527404E+01 WEIGHT= 1.625800D-01 (SC local)
6730 ETORS= 7.281871E+00 WEIGHT= 1.985990D+00 (torsional)
6731 ETORSD= -1.724432E+00 WEIGHT= 1.570690D+00 (double torsional)
6732 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6733 ECORR4= -5.411084E+01 WEIGHT= 4.288700D-01 (multi-body)
6734 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6735 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6736 EELLO= -9.192385E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6737 ETURN3= 1.497576E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6738 ETURN4= -3.383636E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6739 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6740 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6741 EDIHC= 0.000000E+00 (dihedral angle constraints)
6742 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6743 UCONST= 0.000000E+00 (Constraint energy)
6744 EDFAD= 5.491269-315 (DFA distance energy)
6745 EDFAT= 6.953158-310 (DFA torsion energy)
6746 EDFAN= 6.953158-310 (DFA NCa energy)
6747 EDFAB= 2.650815-317 (DFA Beta energy)
6748 ETOT= -8.642955E+01 (total)
6749 RMS deviation from the reference structure: 4.518
6750 % of native contacts: 33.333
6751 % of nonnative contacts: 80.952
6752 contact order: 0.400
6753 TM-score with the reference structure: 0.28
6754 Conformation # 178 read
6757 Conformation # 174 sumsl return code 4
6759 Virtual-chain energies:
6761 EVDW= -4.974373E+01 WEIGHT= 1.352790D+00 (SC-SC)
6762 EVDW2= 6.138525E+01 WEIGHT= 1.593040D+00 (SC-p)
6763 EES= -1.211905E+02 WEIGHT= 7.153400D-01 (p-p)
6764 EVDWPP= -1.711596E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6765 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6766 EBE= -3.653085E+01 WEIGHT= 1.138730D+00 (bending)
6767 ESC= 4.770948E+01 WEIGHT= 1.625800D-01 (SC local)
6768 ETORS= 1.186215E+01 WEIGHT= 1.985990D+00 (torsional)
6769 ETORSD= -2.161311E+00 WEIGHT= 1.570690D+00 (double torsional)
6770 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6771 ECORR4= -9.444611E+01 WEIGHT= 4.288700D-01 (multi-body)
6772 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6773 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6774 EELLO= -8.220799E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6775 ETURN3= 1.774770E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6776 ETURN4= -5.603053E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6777 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6778 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6779 EDIHC= 0.000000E+00 (dihedral angle constraints)
6780 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6781 UCONST= 0.000000E+00 (Constraint energy)
6782 EDFAD= 5.491269-315 (DFA distance energy)
6783 EDFAT= 6.953158-310 (DFA torsion energy)
6784 EDFAN= 6.953158-310 (DFA NCa energy)
6785 EDFAB= 2.650815-317 (DFA Beta energy)
6786 ETOT= -8.741118E+01 (total)
6787 RMS deviation from the reference structure: 3.130
6788 % of native contacts: 58.333
6789 % of nonnative contacts: 66.667
6790 contact order: 0.286
6791 TM-score with the reference structure: 0.29
6792 Conformation # 179 read
6795 Conformation # 178 sumsl return code 4
6797 Virtual-chain energies:
6799 EVDW= -4.943524E+01 WEIGHT= 1.352790D+00 (SC-SC)
6800 EVDW2= 3.215555E+01 WEIGHT= 1.593040D+00 (SC-p)
6801 EES= -4.837296E+01 WEIGHT= 7.153400D-01 (p-p)
6802 EVDWPP= -3.382279E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6803 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6804 EBE= -3.905375E+01 WEIGHT= 1.138730D+00 (bending)
6805 ESC= 3.200207E+01 WEIGHT= 1.625800D-01 (SC local)
6806 ETORS= 4.610563E+00 WEIGHT= 1.985990D+00 (torsional)
6807 ETORSD= -5.186061E-01 WEIGHT= 1.570690D+00 (double torsional)
6808 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6809 ECORR4= -3.289182E+01 WEIGHT= 4.288700D-01 (multi-body)
6810 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6811 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6812 EELLO= 2.475586E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6813 ETURN3= 9.173592E+00 WEIGHT= 1.687220D+00 (turns, 3rd order)
6814 ETURN4= -1.560247E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6815 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6816 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6817 EDIHC= 0.000000E+00 (dihedral angle constraints)
6818 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6819 UCONST= 0.000000E+00 (Constraint energy)
6820 EDFAD= 5.491269-315 (DFA distance energy)
6821 EDFAT= 6.953158-310 (DFA torsion energy)
6822 EDFAN= 6.953158-310 (DFA NCa energy)
6823 EDFAB= 2.650815-317 (DFA Beta energy)
6824 ETOT= -8.429116E+01 (total)
6825 RMS deviation from the reference structure: 5.777
6826 % of native contacts: 33.333
6827 % of nonnative contacts: 71.429
6828 contact order: 0.370
6829 TM-score with the reference structure: 0.26
6830 Conformation # 180 read
6833 Conformation # 170 sumsl return code 4
6835 Virtual-chain energies:
6837 EVDW= -5.102378E+01 WEIGHT= 1.352790D+00 (SC-SC)
6838 EVDW2= 4.020422E+01 WEIGHT= 1.593040D+00 (SC-p)
6839 EES= -8.113166E+01 WEIGHT= 7.153400D-01 (p-p)
6840 EVDWPP= -2.169392E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6841 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6842 EBE= -3.746949E+01 WEIGHT= 1.138730D+00 (bending)
6843 ESC= 4.032019E+01 WEIGHT= 1.625800D-01 (SC local)
6844 ETORS= 8.412692E+00 WEIGHT= 1.985990D+00 (torsional)
6845 ETORSD= 1.082782E+00 WEIGHT= 1.570690D+00 (double torsional)
6846 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6847 ECORR4= -5.910419E+01 WEIGHT= 4.288700D-01 (multi-body)
6848 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6849 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6850 EELLO= -2.150570E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6851 ETURN3= 1.567797E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6852 ETURN4= -2.506688E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6853 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6854 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6855 EDIHC= 0.000000E+00 (dihedral angle constraints)
6856 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6857 UCONST= 0.000000E+00 (Constraint energy)
6858 EDFAD= 5.491269-315 (DFA distance energy)
6859 EDFAT= 6.953158-310 (DFA torsion energy)
6860 EDFAN= 6.953158-310 (DFA NCa energy)
6861 EDFAB= 2.650815-317 (DFA Beta energy)
6862 ETOT= -8.408609E+01 (total)
6863 RMS deviation from the reference structure: 3.110
6864 % of native contacts: 33.333
6865 % of nonnative contacts: 76.471
6866 contact order: 0.299
6867 TM-score with the reference structure: 0.32
6868 Conformation # 181 read
6871 Conformation # 180 sumsl return code 4
6873 Virtual-chain energies:
6875 EVDW= -5.294898E+01 WEIGHT= 1.352790D+00 (SC-SC)
6876 EVDW2= 4.812379E+01 WEIGHT= 1.593040D+00 (SC-p)
6877 EES= -9.213610E+01 WEIGHT= 7.153400D-01 (p-p)
6878 EVDWPP= -2.157037E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6879 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6880 EBE= -3.855572E+01 WEIGHT= 1.138730D+00 (bending)
6881 ESC= 3.654539E+01 WEIGHT= 1.625800D-01 (SC local)
6882 ETORS= 8.779046E+00 WEIGHT= 1.985990D+00 (torsional)
6883 ETORSD= -1.219924E+00 WEIGHT= 1.570690D+00 (double torsional)
6884 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6885 ECORR4= -6.978885E+01 WEIGHT= 4.288700D-01 (multi-body)
6886 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6887 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6888 EELLO= -4.539127E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6889 ETURN3= 1.824649E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6890 ETURN4= -2.513995E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6891 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6892 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6893 EDIHC= 0.000000E+00 (dihedral angle constraints)
6894 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6895 UCONST= 0.000000E+00 (Constraint energy)
6896 EDFAD= 5.491269-315 (DFA distance energy)
6897 EDFAT= 6.953158-310 (DFA torsion energy)
6898 EDFAN= 6.953158-310 (DFA NCa energy)
6899 EDFAB= 2.650815-317 (DFA Beta energy)
6900 ETOT= -8.730857E+01 (total)
6901 RMS deviation from the reference structure: 6.420
6902 % of native contacts: 16.667
6903 % of nonnative contacts: 89.474
6904 contact order: 0.242
6905 TM-score with the reference structure: 0.29
6906 Conformation # 182 read
6909 Conformation # 181 sumsl return code 4
6911 Virtual-chain energies:
6913 EVDW= -5.167435E+01 WEIGHT= 1.352790D+00 (SC-SC)
6914 EVDW2= 5.104408E+01 WEIGHT= 1.593040D+00 (SC-p)
6915 EES= -1.084604E+02 WEIGHT= 7.153400D-01 (p-p)
6916 EVDWPP= -2.602434E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6917 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6918 EBE= -3.813912E+01 WEIGHT= 1.138730D+00 (bending)
6919 ESC= 4.983673E+01 WEIGHT= 1.625800D-01 (SC local)
6920 ETORS= 1.253011E+01 WEIGHT= 1.985990D+00 (torsional)
6921 ETORSD= -2.084882E+00 WEIGHT= 1.570690D+00 (double torsional)
6922 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6923 ECORR4= -8.355082E+01 WEIGHT= 4.288700D-01 (multi-body)
6924 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6925 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6926 EELLO= -2.786102E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6927 ETURN3= 2.099811E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6928 ETURN4= -2.656303E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6929 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6930 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6931 EDIHC= 0.000000E+00 (dihedral angle constraints)
6932 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6933 UCONST= 0.000000E+00 (Constraint energy)
6934 EDFAD= 5.491269-315 (DFA distance energy)
6935 EDFAT= 6.953158-310 (DFA torsion energy)
6936 EDFAN= 6.953158-310 (DFA NCa energy)
6937 EDFAB= 2.650815-317 (DFA Beta energy)
6938 ETOT= -8.506024E+01 (total)
6939 RMS deviation from the reference structure: 3.374
6940 % of native contacts: 33.333
6941 % of nonnative contacts: 78.947
6942 contact order: 0.189
6943 TM-score with the reference structure: 0.28
6944 Conformation # 183 read
6947 Conformation # 179 sumsl return code 4
6949 Virtual-chain energies:
6951 EVDW= -5.042455E+01 WEIGHT= 1.352790D+00 (SC-SC)
6952 EVDW2= 5.031530E+01 WEIGHT= 1.593040D+00 (SC-p)
6953 EES= -9.977404E+01 WEIGHT= 7.153400D-01 (p-p)
6954 EVDWPP= -3.150805E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6955 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6956 EBE= -4.137169E+01 WEIGHT= 1.138730D+00 (bending)
6957 ESC= 4.365129E+01 WEIGHT= 1.625800D-01 (SC local)
6958 ETORS= 9.826279E+00 WEIGHT= 1.985990D+00 (torsional)
6959 ETORSD= 1.139928E+00 WEIGHT= 1.570690D+00 (double torsional)
6960 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6961 ECORR4= -7.122898E+01 WEIGHT= 4.288700D-01 (multi-body)
6962 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6963 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6964 EELLO= -2.375760E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6965 ETURN3= 1.812851E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6966 ETURN4= -3.968888E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6967 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6968 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6969 EDIHC= 0.000000E+00 (dihedral angle constraints)
6970 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6971 UCONST= 0.000000E+00 (Constraint energy)
6972 EDFAD= 5.491269-315 (DFA distance energy)
6973 EDFAT= 6.953158-310 (DFA torsion energy)
6974 EDFAN= 6.953158-310 (DFA NCa energy)
6975 EDFAB= 2.650815-317 (DFA Beta energy)
6976 ETOT= -8.469444E+01 (total)
6977 RMS deviation from the reference structure: 3.290
6978 % of native contacts: 41.667
6979 % of nonnative contacts: 75.000
6980 contact order: 0.327
6981 TM-score with the reference structure: 0.28
6982 Conformation # 184 read
6985 Conformation # 183 sumsl return code 4
6987 Virtual-chain energies:
6989 EVDW= -5.290662E+01 WEIGHT= 1.352790D+00 (SC-SC)
6990 EVDW2= 5.203538E+01 WEIGHT= 1.593040D+00 (SC-p)
6991 EES= -1.058172E+02 WEIGHT= 7.153400D-01 (p-p)
6992 EVDWPP= -1.801298E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6993 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6994 EBE= -4.072206E+01 WEIGHT= 1.138730D+00 (bending)
6995 ESC= 4.100340E+01 WEIGHT= 1.625800D-01 (SC local)
6996 ETORS= 1.109474E+01 WEIGHT= 1.985990D+00 (torsional)
6997 ETORSD= -6.266683E-01 WEIGHT= 1.570690D+00 (double torsional)
6998 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6999 ECORR4= -7.995712E+01 WEIGHT= 4.288700D-01 (multi-body)
7000 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7001 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7002 EELLO= -6.493522E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7003 ETURN3= 1.980893E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7004 ETURN4= -9.313854E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
7005 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7006 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7007 EDIHC= 0.000000E+00 (dihedral angle constraints)
7008 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7009 UCONST= 0.000000E+00 (Constraint energy)
7010 EDFAD= 5.491269-315 (DFA distance energy)
7011 EDFAT= 6.953158-310 (DFA torsion energy)
7012 EDFAN= 6.953158-310 (DFA NCa energy)
7013 EDFAB= 2.650815-317 (DFA Beta energy)
7014 ETOT= -8.760333E+01 (total)
7015 RMS deviation from the reference structure: 2.398
7016 % of native contacts: 66.667
7017 % of nonnative contacts: 61.905
7018 contact order: 0.281
7019 TM-score with the reference structure: 0.33
7020 Conformation # 185 read
7023 Conformation # 182 sumsl return code 4
7025 Virtual-chain energies:
7027 EVDW= -5.183758E+01 WEIGHT= 1.352790D+00 (SC-SC)
7028 EVDW2= 4.743454E+01 WEIGHT= 1.593040D+00 (SC-p)
7029 EES= -9.154283E+01 WEIGHT= 7.153400D-01 (p-p)
7030 EVDWPP= -2.167486E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7031 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7032 EBE= -3.499176E+01 WEIGHT= 1.138730D+00 (bending)
7033 ESC= 3.142609E+01 WEIGHT= 1.625800D-01 (SC local)
7034 ETORS= 1.130860E+01 WEIGHT= 1.985990D+00 (torsional)
7035 ETORSD= -3.803475E+00 WEIGHT= 1.570690D+00 (double torsional)
7036 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7037 ECORR4= -6.666148E+01 WEIGHT= 4.288700D-01 (multi-body)
7038 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7039 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7040 EELLO= -4.392275E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7041 ETURN3= 1.499051E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7042 ETURN4= -4.417870E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
7043 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7044 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7045 EDIHC= 0.000000E+00 (dihedral angle constraints)
7046 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7047 UCONST= 0.000000E+00 (Constraint energy)
7048 EDFAD= 5.491269-315 (DFA distance energy)
7049 EDFAT= 6.953158-310 (DFA torsion energy)
7050 EDFAN= 6.953158-310 (DFA NCa energy)
7051 EDFAB= 2.650815-317 (DFA Beta energy)
7052 ETOT= -8.505513E+01 (total)
7053 RMS deviation from the reference structure: 4.486
7054 % of native contacts: 33.333
7055 % of nonnative contacts: 80.952
7056 contact order: 0.335
7057 TM-score with the reference structure: 0.30
7058 Conformation # 186 read
7061 Conformation # 177 sumsl return code 4
7063 Virtual-chain energies:
7065 EVDW= -5.660066E+01 WEIGHT= 1.352790D+00 (SC-SC)
7066 EVDW2= 5.442083E+01 WEIGHT= 1.593040D+00 (SC-p)
7067 EES= -1.058948E+02 WEIGHT= 7.153400D-01 (p-p)
7068 EVDWPP= -3.205653E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7069 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7070 EBE= -3.555007E+01 WEIGHT= 1.138730D+00 (bending)
7071 ESC= 5.102221E+01 WEIGHT= 1.625800D-01 (SC local)
7072 ETORS= 1.252794E+01 WEIGHT= 1.985990D+00 (torsional)
7073 ETORSD= -2.967661E+00 WEIGHT= 1.570690D+00 (double torsional)
7074 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7075 ECORR4= -8.298172E+01 WEIGHT= 4.288700D-01 (multi-body)
7076 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7077 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7078 EELLO= -8.454496E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7079 ETURN3= 1.902086E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7080 ETURN4= 2.614676E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7081 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7082 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7083 EDIHC= 0.000000E+00 (dihedral angle constraints)
7084 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7085 UCONST= 0.000000E+00 (Constraint energy)
7086 EDFAD= 5.491269-315 (DFA distance energy)
7087 EDFAT= 6.953158-310 (DFA torsion energy)
7088 EDFAN= 6.953158-310 (DFA NCa energy)
7089 EDFAB= 2.650815-317 (DFA Beta energy)
7090 ETOT= -8.435787E+01 (total)
7091 RMS deviation from the reference structure: 2.834
7092 % of native contacts: 41.667
7093 % of nonnative contacts: 79.167
7094 contact order: 0.343
7095 TM-score with the reference structure: 0.33
7096 Conformation # 187 read
7099 Conformation # 185 sumsl return code 4
7101 Virtual-chain energies:
7103 EVDW= -5.122106E+01 WEIGHT= 1.352790D+00 (SC-SC)
7104 EVDW2= 4.786912E+01 WEIGHT= 1.593040D+00 (SC-p)
7105 EES= -1.002588E+02 WEIGHT= 7.153400D-01 (p-p)
7106 EVDWPP= -2.521081E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7107 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7108 EBE= -4.291917E+01 WEIGHT= 1.138730D+00 (bending)
7109 ESC= 3.728613E+01 WEIGHT= 1.625800D-01 (SC local)
7110 ETORS= 1.028393E+01 WEIGHT= 1.985990D+00 (torsional)
7111 ETORSD= 3.914362E+00 WEIGHT= 1.570690D+00 (double torsional)
7112 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7113 ECORR4= -6.994705E+01 WEIGHT= 4.288700D-01 (multi-body)
7114 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7115 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7116 EELLO= -4.417315E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7117 ETURN3= 1.652343E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7118 ETURN4= -5.623878E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
7119 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7120 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7121 EDIHC= 0.000000E+00 (dihedral angle constraints)
7122 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7123 UCONST= 0.000000E+00 (Constraint energy)
7124 EDFAD= 5.491269-315 (DFA distance energy)
7125 EDFAT= 6.953158-310 (DFA torsion energy)
7126 EDFAN= 6.953158-310 (DFA NCa energy)
7127 EDFAB= 2.650815-317 (DFA Beta energy)
7128 ETOT= -8.705950E+01 (total)
7129 RMS deviation from the reference structure: 3.761
7130 % of native contacts: 41.667
7131 % of nonnative contacts: 75.000
7132 contact order: 0.307
7133 TM-score with the reference structure: 0.28
7134 Conformation # 188 read
7137 Conformation # 184 sumsl return code 4
7139 Virtual-chain energies:
7141 EVDW= -5.318955E+01 WEIGHT= 1.352790D+00 (SC-SC)
7142 EVDW2= 4.969906E+01 WEIGHT= 1.593040D+00 (SC-p)
7143 EES= -1.045343E+02 WEIGHT= 7.153400D-01 (p-p)
7144 EVDWPP= -1.798253E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7145 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7146 EBE= -4.003468E+01 WEIGHT= 1.138730D+00 (bending)
7147 ESC= 3.676988E+01 WEIGHT= 1.625800D-01 (SC local)
7148 ETORS= 1.251207E+01 WEIGHT= 1.985990D+00 (torsional)
7149 ETORSD= -2.680267E+00 WEIGHT= 1.570690D+00 (double torsional)
7150 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7151 ECORR4= -7.570196E+01 WEIGHT= 4.288700D-01 (multi-body)
7152 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7153 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7154 EELLO= 7.288080E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7155 ETURN3= 1.891175E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7156 ETURN4= -1.776835E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7157 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7158 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7159 EDIHC= 0.000000E+00 (dihedral angle constraints)
7160 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7161 UCONST= 0.000000E+00 (Constraint energy)
7162 EDFAD= 5.491269-315 (DFA distance energy)
7163 EDFAT= 6.953158-310 (DFA torsion energy)
7164 EDFAN= 6.953158-310 (DFA NCa energy)
7165 EDFAB= 2.650815-317 (DFA Beta energy)
7166 ETOT= -9.019365E+01 (total)
7167 RMS deviation from the reference structure: 3.728
7168 % of native contacts: 33.333
7169 % of nonnative contacts: 81.818
7170 contact order: 0.374
7171 TM-score with the reference structure: 0.28
7172 Conformation # 189 read
7175 Conformation # 166 sumsl return code 4
7177 Virtual-chain energies:
7179 EVDW= -5.333903E+01 WEIGHT= 1.352790D+00 (SC-SC)
7180 EVDW2= 4.213416E+01 WEIGHT= 1.593040D+00 (SC-p)
7181 EES= -7.904729E+01 WEIGHT= 7.153400D-01 (p-p)
7182 EVDWPP= -2.512922E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7183 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7184 EBE= -3.651884E+01 WEIGHT= 1.138730D+00 (bending)
7185 ESC= 4.160977E+01 WEIGHT= 1.625800D-01 (SC local)
7186 ETORS= 7.266246E+00 WEIGHT= 1.985990D+00 (torsional)
7187 ETORSD= -1.867551E-01 WEIGHT= 1.570690D+00 (double torsional)
7188 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7189 ECORR4= -6.037951E+01 WEIGHT= 4.288700D-01 (multi-body)
7190 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7191 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7192 EELLO= -2.210958E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7193 ETURN3= 1.594324E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7194 ETURN4= -1.698871E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7195 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7196 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7197 EDIHC= 0.000000E+00 (dihedral angle constraints)
7198 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7199 UCONST= 0.000000E+00 (Constraint energy)
7200 EDFAD= 5.491269-315 (DFA distance energy)
7201 EDFAT= 6.953158-310 (DFA torsion energy)
7202 EDFAN= 6.953158-310 (DFA NCa energy)
7203 EDFAB= 2.650815-317 (DFA Beta energy)
7204 ETOT= -8.559597E+01 (total)
7205 RMS deviation from the reference structure: 3.749
7206 % of native contacts: 41.667
7207 % of nonnative contacts: 76.190
7208 contact order: 0.310
7209 TM-score with the reference structure: 0.28
7210 Conformation # 190 read
7213 Conformation # 188 sumsl return code 4
7215 Virtual-chain energies:
7217 EVDW= -5.396331E+01 WEIGHT= 1.352790D+00 (SC-SC)
7218 EVDW2= 3.559336E+01 WEIGHT= 1.593040D+00 (SC-p)
7219 EES= -6.291128E+01 WEIGHT= 7.153400D-01 (p-p)
7220 EVDWPP= -2.748976E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7221 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7222 EBE= -3.846170E+01 WEIGHT= 1.138730D+00 (bending)
7223 ESC= 4.909058E+01 WEIGHT= 1.625800D-01 (SC local)
7224 ETORS= 6.041010E+00 WEIGHT= 1.985990D+00 (torsional)
7225 ETORSD= 6.821197E-01 WEIGHT= 1.570690D+00 (double torsional)
7226 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7227 ECORR4= -4.213342E+01 WEIGHT= 4.288700D-01 (multi-body)
7228 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7229 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7230 EELLO= -3.740863E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7231 ETURN3= 1.339574E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7232 ETURN4= -2.117864E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7233 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7234 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7235 EDIHC= 0.000000E+00 (dihedral angle constraints)
7236 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7237 UCONST= 0.000000E+00 (Constraint energy)
7238 EDFAD= 5.491269-315 (DFA distance energy)
7239 EDFAT= 6.953158-310 (DFA torsion energy)
7240 EDFAN= 6.953158-310 (DFA NCa energy)
7241 EDFAB= 2.650815-317 (DFA Beta energy)
7242 ETOT= -8.410660E+01 (total)
7243 RMS deviation from the reference structure: 5.616
7244 % of native contacts: 16.667
7245 % of nonnative contacts: 87.500
7246 contact order: 0.355
7247 TM-score with the reference structure: 0.24
7248 Conformation # 191 read
7251 Conformation # 189 sumsl return code 4
7253 Virtual-chain energies:
7255 EVDW= -5.263079E+01 WEIGHT= 1.352790D+00 (SC-SC)
7256 EVDW2= 5.408111E+01 WEIGHT= 1.593040D+00 (SC-p)
7257 EES= -1.113443E+02 WEIGHT= 7.153400D-01 (p-p)
7258 EVDWPP= -2.325035E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7259 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7260 EBE= -4.095656E+01 WEIGHT= 1.138730D+00 (bending)
7261 ESC= 4.467374E+01 WEIGHT= 1.625800D-01 (SC local)
7262 ETORS= 1.263673E+01 WEIGHT= 1.985990D+00 (torsional)
7263 ETORSD= -1.837568E+00 WEIGHT= 1.570690D+00 (double torsional)
7264 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7265 ECORR4= -8.539620E+01 WEIGHT= 4.288700D-01 (multi-body)
7266 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7267 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7268 EELLO= -2.807585E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7269 ETURN3= 2.011414E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7270 ETURN4= -5.824715E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
7271 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7272 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7273 EDIHC= 0.000000E+00 (dihedral angle constraints)
7274 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7275 UCONST= 0.000000E+00 (Constraint energy)
7276 EDFAD= 5.491269-315 (DFA distance energy)
7277 EDFAT= 6.953158-310 (DFA torsion energy)
7278 EDFAN= 6.953158-310 (DFA NCa energy)
7279 EDFAB= 2.650815-317 (DFA Beta energy)
7280 ETOT= -8.802600E+01 (total)
7281 RMS deviation from the reference structure: 2.436
7282 % of native contacts: 58.333
7283 % of nonnative contacts: 61.111
7284 contact order: 0.308
7285 TM-score with the reference structure: 0.29
7286 Conformation # 192 read
7289 Conformation # 191 sumsl return code 4
7291 Virtual-chain energies:
7293 EVDW= -5.073871E+01 WEIGHT= 1.352790D+00 (SC-SC)
7294 EVDW2= 4.056598E+01 WEIGHT= 1.593040D+00 (SC-p)
7295 EES= -8.352356E+01 WEIGHT= 7.153400D-01 (p-p)
7296 EVDWPP= -1.918988E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7297 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7298 EBE= -3.957057E+01 WEIGHT= 1.138730D+00 (bending)
7299 ESC= 4.761702E+01 WEIGHT= 1.625800D-01 (SC local)
7300 ETORS= 1.000853E+01 WEIGHT= 1.985990D+00 (torsional)
7301 ETORSD= -1.546632E+00 WEIGHT= 1.570690D+00 (double torsional)
7302 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7303 ECORR4= -6.250790E+01 WEIGHT= 4.288700D-01 (multi-body)
7304 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7305 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7306 EELLO= 2.737265E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7307 ETURN3= 1.727535E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7308 ETURN4= -2.546896E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7309 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7310 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7311 EDIHC= 0.000000E+00 (dihedral angle constraints)
7312 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7313 UCONST= 0.000000E+00 (Constraint energy)
7314 EDFAD= 5.491269-315 (DFA distance energy)
7315 EDFAT= 6.953158-310 (DFA torsion energy)
7316 EDFAN= 6.953158-310 (DFA NCa energy)
7317 EDFAB= 2.650815-317 (DFA Beta energy)
7318 ETOT= -8.472478E+01 (total)
7319 RMS deviation from the reference structure: 5.554
7320 % of native contacts: 25.000
7321 % of nonnative contacts: 85.000
7322 contact order: 0.316
7323 TM-score with the reference structure: 0.31
7324 Conformation # 193 read
7327 Conformation # 186 sumsl return code 4
7329 Virtual-chain energies:
7331 EVDW= -5.527879E+01 WEIGHT= 1.352790D+00 (SC-SC)
7332 EVDW2= 4.375751E+01 WEIGHT= 1.593040D+00 (SC-p)
7333 EES= -7.807597E+01 WEIGHT= 7.153400D-01 (p-p)
7334 EVDWPP= -3.103049E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7335 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7336 EBE= -3.585945E+01 WEIGHT= 1.138730D+00 (bending)
7337 ESC= 4.123252E+01 WEIGHT= 1.625800D-01 (SC local)
7338 ETORS= 9.267809E+00 WEIGHT= 1.985990D+00 (torsional)
7339 ETORSD= -2.792440E+00 WEIGHT= 1.570690D+00 (double torsional)
7340 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7341 ECORR4= -5.844763E+01 WEIGHT= 4.288700D-01 (multi-body)
7342 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7343 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7344 EELLO= 2.758348E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7345 ETURN3= 1.485649E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7346 ETURN4= 6.428202E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
7347 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7348 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7349 EDIHC= 0.000000E+00 (dihedral angle constraints)
7350 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7351 UCONST= 0.000000E+00 (Constraint energy)
7352 EDFAD= 5.491269-315 (DFA distance energy)
7353 EDFAT= 6.953158-310 (DFA torsion energy)
7354 EDFAN= 6.953158-310 (DFA NCa energy)
7355 EDFAB= 2.650815-317 (DFA Beta energy)
7356 ETOT= -8.409368E+01 (total)
7357 RMS deviation from the reference structure: 5.093
7358 % of native contacts: 25.000
7359 % of nonnative contacts: 86.364
7360 contact order: 0.357
7361 TM-score with the reference structure: 0.28
7362 Conformation # 194 read
7365 Conformation # 187 sumsl return code 4
7367 Virtual-chain energies:
7369 EVDW= -5.088940E+01 WEIGHT= 1.352790D+00 (SC-SC)
7370 EVDW2= 4.624359E+01 WEIGHT= 1.593040D+00 (SC-p)
7371 EES= -9.557901E+01 WEIGHT= 7.153400D-01 (p-p)
7372 EVDWPP= -2.950596E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7373 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7374 EBE= -3.688642E+01 WEIGHT= 1.138730D+00 (bending)
7375 ESC= 4.134814E+01 WEIGHT= 1.625800D-01 (SC local)
7376 ETORS= 8.929300E+00 WEIGHT= 1.985990D+00 (torsional)
7377 ETORSD= 2.340901E+00 WEIGHT= 1.570690D+00 (double torsional)
7378 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7379 ECORR4= -7.151629E+01 WEIGHT= 4.288700D-01 (multi-body)
7380 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7381 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7382 EELLO= -5.369463E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7383 ETURN3= 1.836256E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7384 ETURN4= -5.442761E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7385 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7386 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7387 EDIHC= 0.000000E+00 (dihedral angle constraints)
7388 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7389 UCONST= 0.000000E+00 (Constraint energy)
7390 EDFAD= 5.491269-315 (DFA distance energy)
7391 EDFAT= 6.953158-310 (DFA torsion energy)
7392 EDFAN= 6.953158-310 (DFA NCa energy)
7393 EDFAB= 2.650815-317 (DFA Beta energy)
7394 ETOT= -8.492766E+01 (total)
7395 RMS deviation from the reference structure: 2.237
7396 % of native contacts: 41.667
7397 % of nonnative contacts: 75.000
7398 contact order: 0.336
7399 TM-score with the reference structure: 0.37
7400 Conformation # 195 read
7403 Conformation # 193 sumsl return code 4
7405 Virtual-chain energies:
7407 EVDW= -5.549345E+01 WEIGHT= 1.352790D+00 (SC-SC)
7408 EVDW2= 4.532214E+01 WEIGHT= 1.593040D+00 (SC-p)
7409 EES= -8.233249E+01 WEIGHT= 7.153400D-01 (p-p)
7410 EVDWPP= -3.144804E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7411 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7412 EBE= -3.501135E+01 WEIGHT= 1.138730D+00 (bending)
7413 ESC= 4.260462E+01 WEIGHT= 1.625800D-01 (SC local)
7414 ETORS= 5.996061E+00 WEIGHT= 1.985990D+00 (torsional)
7415 ETORSD= 1.862324E-01 WEIGHT= 1.570690D+00 (double torsional)
7416 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7417 ECORR4= -6.112928E+01 WEIGHT= 4.288700D-01 (multi-body)
7418 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7419 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7420 EELLO= -2.678970E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7421 ETURN3= 1.476247E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7422 ETURN4= -1.490979E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
7423 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7424 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7425 EDIHC= 0.000000E+00 (dihedral angle constraints)
7426 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7427 UCONST= 0.000000E+00 (Constraint energy)
7428 EDFAD= 5.491269-315 (DFA distance energy)
7429 EDFAT= 6.953158-310 (DFA torsion energy)
7430 EDFAN= 6.953158-310 (DFA NCa energy)
7431 EDFAB= 2.650815-317 (DFA Beta energy)
7432 ETOT= -8.792121E+01 (total)
7433 RMS deviation from the reference structure: 3.379
7434 % of native contacts: 58.333
7435 % of nonnative contacts: 65.000
7436 contact order: 0.307
7437 TM-score with the reference structure: 0.30
7438 Conformation # 196 read
7441 Conformation # 194 sumsl return code 4
7443 Virtual-chain energies:
7445 EVDW= -5.151012E+01 WEIGHT= 1.352790D+00 (SC-SC)
7446 EVDW2= 4.463204E+01 WEIGHT= 1.593040D+00 (SC-p)
7447 EES= -9.106776E+01 WEIGHT= 7.153400D-01 (p-p)
7448 EVDWPP= -1.006752E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7449 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7450 EBE= -3.875413E+01 WEIGHT= 1.138730D+00 (bending)
7451 ESC= 3.400160E+01 WEIGHT= 1.625800D-01 (SC local)
7452 ETORS= 1.056549E+01 WEIGHT= 1.985990D+00 (torsional)
7453 ETORSD= -1.360475E+00 WEIGHT= 1.570690D+00 (double torsional)
7454 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7455 ECORR4= -6.774039E+01 WEIGHT= 4.288700D-01 (multi-body)
7456 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7457 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7458 EELLO= 4.233215E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7459 ETURN3= 1.831070E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7460 ETURN4= -2.527068E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7461 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7462 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7463 EDIHC= 0.000000E+00 (dihedral angle constraints)
7464 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7465 UCONST= 0.000000E+00 (Constraint energy)
7466 EDFAD= 5.491269-315 (DFA distance energy)
7467 EDFAT= 6.953158-310 (DFA torsion energy)
7468 EDFAN= 6.953158-310 (DFA NCa energy)
7469 EDFAB= 2.650815-317 (DFA Beta energy)
7470 ETOT= -8.439082E+01 (total)
7471 RMS deviation from the reference structure: 4.765
7472 % of native contacts: 25.000
7473 % of nonnative contacts: 84.211
7474 contact order: 0.378
7475 TM-score with the reference structure: 0.26
7476 Conformation # 197 read
7479 Conformation # 195 sumsl return code 4
7481 Virtual-chain energies:
7483 EVDW= -5.188865E+01 WEIGHT= 1.352790D+00 (SC-SC)
7484 EVDW2= 3.830600E+01 WEIGHT= 1.593040D+00 (SC-p)
7485 EES= -6.851159E+01 WEIGHT= 7.153400D-01 (p-p)
7486 EVDWPP= -3.174164E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7487 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7488 EBE= -3.934667E+01 WEIGHT= 1.138730D+00 (bending)
7489 ESC= 3.572007E+01 WEIGHT= 1.625800D-01 (SC local)
7490 ETORS= 8.744843E+00 WEIGHT= 1.985990D+00 (torsional)
7491 ETORSD= -2.421162E+00 WEIGHT= 1.570690D+00 (double torsional)
7492 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7493 ECORR4= -5.113101E+01 WEIGHT= 4.288700D-01 (multi-body)
7494 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7495 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7496 EELLO= 4.052227E-02 WEIGHT= 1.603600D-01 (electrostatic-local)
7497 ETURN3= 1.391149E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7498 ETURN4= -1.065063E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7499 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7500 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7501 EDIHC= 0.000000E+00 (dihedral angle constraints)
7502 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7503 UCONST= 0.000000E+00 (Constraint energy)
7504 EDFAD= 5.491269-315 (DFA distance energy)
7505 EDFAT= 6.953158-310 (DFA torsion energy)
7506 EDFAN= 6.953158-310 (DFA NCa energy)
7507 EDFAB= 2.650815-317 (DFA Beta energy)
7508 ETOT= -8.637917E+01 (total)
7509 RMS deviation from the reference structure: 4.817
7510 % of native contacts: 16.667
7511 % of nonnative contacts: 90.476
7512 contact order: 0.407
7513 TM-score with the reference structure: 0.32
7514 Conformation # 198 read
7517 Conformation # 196 sumsl return code 4
7519 Virtual-chain energies:
7521 EVDW= -5.689562E+01 WEIGHT= 1.352790D+00 (SC-SC)
7522 EVDW2= 3.953417E+01 WEIGHT= 1.593040D+00 (SC-p)
7523 EES= -6.575149E+01 WEIGHT= 7.153400D-01 (p-p)
7524 EVDWPP= -3.242620E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7525 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7526 EBE= -3.655341E+01 WEIGHT= 1.138730D+00 (bending)
7527 ESC= 4.668342E+01 WEIGHT= 1.625800D-01 (SC local)
7528 ETORS= 5.437181E+00 WEIGHT= 1.985990D+00 (torsional)
7529 ETORSD= 1.050091E-02 WEIGHT= 1.570690D+00 (double torsional)
7530 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7531 ECORR4= -5.033938E+01 WEIGHT= 4.288700D-01 (multi-body)
7532 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7533 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7534 EELLO= 6.645582E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7535 ETURN3= 1.246771E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7536 ETURN4= -7.467353E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
7537 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7538 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7539 EDIHC= 0.000000E+00 (dihedral angle constraints)
7540 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7541 UCONST= 0.000000E+00 (Constraint energy)
7542 EDFAD= 5.491269-315 (DFA distance energy)
7543 EDFAT= 6.953158-310 (DFA torsion energy)
7544 EDFAN= 6.953158-310 (DFA NCa energy)
7545 EDFAB= 2.650815-317 (DFA Beta energy)
7546 ETOT= -8.887143E+01 (total)
7547 RMS deviation from the reference structure: 4.090
7548 % of native contacts: 41.667
7549 % of nonnative contacts: 77.273
7550 contact order: 0.430
7551 TM-score with the reference structure: 0.23
7552 Conformation # 199 read
7555 Conformation # 198 sumsl return code 4
7557 Virtual-chain energies:
7559 EVDW= -5.176116E+01 WEIGHT= 1.352790D+00 (SC-SC)
7560 EVDW2= 3.918403E+01 WEIGHT= 1.593040D+00 (SC-p)
7561 EES= -7.508124E+01 WEIGHT= 7.153400D-01 (p-p)
7562 EVDWPP= -1.767172E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7563 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7564 EBE= -3.849045E+01 WEIGHT= 1.138730D+00 (bending)
7565 ESC= 4.386108E+01 WEIGHT= 1.625800D-01 (SC local)
7566 ETORS= 8.613555E+00 WEIGHT= 1.985990D+00 (torsional)
7567 ETORSD= -1.102559E+00 WEIGHT= 1.570690D+00 (double torsional)
7568 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7569 ECORR4= -5.446175E+01 WEIGHT= 4.288700D-01 (multi-body)
7570 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7571 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7572 EELLO= 2.582089E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7573 ETURN3= 1.431340E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7574 ETURN4= -3.237543E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7575 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7576 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7577 EDIHC= 0.000000E+00 (dihedral angle constraints)
7578 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7579 UCONST= 0.000000E+00 (Constraint energy)
7580 EDFAD= 5.491269-315 (DFA distance energy)
7581 EDFAT= 6.953158-310 (DFA torsion energy)
7582 EDFAN= 6.953158-310 (DFA NCa energy)
7583 EDFAB= 2.650815-317 (DFA Beta energy)
7584 ETOT= -8.558028E+01 (total)
7585 RMS deviation from the reference structure: 4.677
7586 % of native contacts: 25.000
7587 % of nonnative contacts: 82.353
7588 contact order: 0.447
7589 TM-score with the reference structure: 0.29
7590 Conformation # 200 read
7593 Conformation # 192 sumsl return code 4
7595 Virtual-chain energies:
7597 EVDW= -5.120452E+01 WEIGHT= 1.352790D+00 (SC-SC)
7598 EVDW2= 4.128917E+01 WEIGHT= 1.593040D+00 (SC-p)
7599 EES= -8.326864E+01 WEIGHT= 7.153400D-01 (p-p)
7600 EVDWPP= -1.767216E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7601 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7602 EBE= -4.027511E+01 WEIGHT= 1.138730D+00 (bending)
7603 ESC= 4.642033E+01 WEIGHT= 1.625800D-01 (SC local)
7604 ETORS= 9.392966E+00 WEIGHT= 1.985990D+00 (torsional)
7605 ETORSD= -1.988926E+00 WEIGHT= 1.570690D+00 (double torsional)
7606 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7607 ECORR4= -6.319091E+01 WEIGHT= 4.288700D-01 (multi-body)
7608 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7609 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7610 EELLO= -9.628265E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7611 ETURN3= 1.739036E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7612 ETURN4= -1.959788E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7613 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7614 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7615 EDIHC= 0.000000E+00 (dihedral angle constraints)
7616 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7617 UCONST= 0.000000E+00 (Constraint energy)
7618 EDFAD= 5.491269-315 (DFA distance energy)
7619 EDFAT= 6.953158-310 (DFA torsion energy)
7620 EDFAN= 6.953158-310 (DFA NCa energy)
7621 EDFAB= 2.650815-317 (DFA Beta energy)
7622 ETOT= -8.706537E+01 (total)
7623 RMS deviation from the reference structure: 5.028
7624 % of native contacts: 50.000
7625 % of nonnative contacts: 70.000
7626 contact order: 0.282
7627 TM-score with the reference structure: 0.33
7630 Conformation # 200 sumsl return code 4
7632 Virtual-chain energies:
7634 EVDW= -5.424967E+01 WEIGHT= 1.352790D+00 (SC-SC)
7635 EVDW2= 3.739725E+01 WEIGHT= 1.593040D+00 (SC-p)
7636 EES= -6.507971E+01 WEIGHT= 7.153400D-01 (p-p)
7637 EVDWPP= -2.899902E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7638 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7639 EBE= -3.664801E+01 WEIGHT= 1.138730D+00 (bending)
7640 ESC= 3.556747E+01 WEIGHT= 1.625800D-01 (SC local)
7641 ETORS= 5.566837E+00 WEIGHT= 1.985990D+00 (torsional)
7642 ETORSD= -9.866388E-01 WEIGHT= 1.570690D+00 (double torsional)
7643 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7644 ECORR4= -4.817315E+01 WEIGHT= 4.288700D-01 (multi-body)
7645 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7646 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7647 EELLO= -2.342387E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7648 ETURN3= 1.437203E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7649 ETURN4= -1.758924E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7650 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7651 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7652 EDIHC= 0.000000E+00 (dihedral angle constraints)
7653 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7654 UCONST= 0.000000E+00 (Constraint energy)
7655 EDFAD= 5.491269-315 (DFA distance energy)
7656 EDFAT= 6.953158-310 (DFA torsion energy)
7657 EDFAN= 6.953158-310 (DFA NCa energy)
7658 EDFAB= 2.650815-317 (DFA Beta energy)
7659 ETOT= -8.806015E+01 (total)
7660 RMS deviation from the reference structure: 4.376
7661 % of native contacts: 41.667
7662 % of nonnative contacts: 78.261
7663 contact order: 0.387
7664 TM-score with the reference structure: 0.28
7667 Conformation # 199 sumsl return code 4
7669 Virtual-chain energies:
7671 EVDW= -5.087801E+01 WEIGHT= 1.352790D+00 (SC-SC)
7672 EVDW2= 4.564249E+01 WEIGHT= 1.593040D+00 (SC-p)
7673 EES= -8.564950E+01 WEIGHT= 7.153400D-01 (p-p)
7674 EVDWPP= -2.233310E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7675 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7676 EBE= -3.877957E+01 WEIGHT= 1.138730D+00 (bending)
7677 ESC= 3.756011E+01 WEIGHT= 1.625800D-01 (SC local)
7678 ETORS= 8.658746E+00 WEIGHT= 1.985990D+00 (torsional)
7679 ETORSD= -3.650807E-01 WEIGHT= 1.570690D+00 (double torsional)
7680 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7681 ECORR4= -6.431442E+01 WEIGHT= 4.288700D-01 (multi-body)
7682 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7683 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7684 EELLO= -4.083900E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7685 ETURN3= 1.665896E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7686 ETURN4= -2.809986E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7687 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7688 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7689 EDIHC= 0.000000E+00 (dihedral angle constraints)
7690 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7691 UCONST= 0.000000E+00 (Constraint energy)
7692 EDFAD= 5.491269-315 (DFA distance energy)
7693 EDFAT= 6.953158-310 (DFA torsion energy)
7694 EDFAN= 6.953158-310 (DFA NCa energy)
7695 EDFAB= 2.650815-317 (DFA Beta energy)
7696 ETOT= -8.334629E+01 (total)
7697 RMS deviation from the reference structure: 4.681
7698 % of native contacts: 25.000
7699 % of nonnative contacts: 84.211
7700 contact order: 0.330
7701 TM-score with the reference structure: 0.29
7704 Conformation # 197 sumsl return code 4
7706 Virtual-chain energies:
7708 EVDW= -5.270935E+01 WEIGHT= 1.352790D+00 (SC-SC)
7709 EVDW2= 4.600203E+01 WEIGHT= 1.593040D+00 (SC-p)
7710 EES= -9.159463E+01 WEIGHT= 7.153400D-01 (p-p)
7711 EVDWPP= -2.269199E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7712 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7713 EBE= -4.033718E+01 WEIGHT= 1.138730D+00 (bending)
7714 ESC= 4.338191E+01 WEIGHT= 1.625800D-01 (SC local)
7715 ETORS= 1.002737E+01 WEIGHT= 1.985990D+00 (torsional)
7716 ETORSD= -1.607228E+00 WEIGHT= 1.570690D+00 (double torsional)
7717 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7718 ECORR4= -6.856459E+01 WEIGHT= 4.288700D-01 (multi-body)
7719 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7720 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7721 EELLO= -2.823195E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7722 ETURN3= 1.817855E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7723 ETURN4= -1.707506E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7724 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7725 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7726 EDIHC= 0.000000E+00 (dihedral angle constraints)
7727 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7728 UCONST= 0.000000E+00 (Constraint energy)
7729 EDFAD= 5.491269-315 (DFA distance energy)
7730 EDFAT= 6.953158-310 (DFA torsion energy)
7731 EDFAN= 6.953158-310 (DFA NCa energy)
7732 EDFAB= 2.650815-317 (DFA Beta energy)
7733 ETOT= -8.752376E+01 (total)
7734 RMS deviation from the reference structure: 4.660
7735 % of native contacts: 58.333
7736 % of nonnative contacts: 66.667
7737 contact order: 0.327
7738 TM-score with the reference structure: 0.30
7741 Conformation # 190 sumsl return code 4
7743 Virtual-chain energies:
7745 EVDW= -5.038684E+01 WEIGHT= 1.352790D+00 (SC-SC)
7746 EVDW2= 4.850926E+01 WEIGHT= 1.593040D+00 (SC-p)
7747 EES= -1.024879E+02 WEIGHT= 7.153400D-01 (p-p)
7748 EVDWPP= -1.444056E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7749 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7750 EBE= -3.961792E+01 WEIGHT= 1.138730D+00 (bending)
7751 ESC= 4.782860E+01 WEIGHT= 1.625800D-01 (SC local)
7752 ETORS= 1.110474E+01 WEIGHT= 1.985990D+00 (torsional)
7753 ETORSD= -2.777569E-01 WEIGHT= 1.570690D+00 (double torsional)
7754 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7755 ECORR4= -7.324958E+01 WEIGHT= 4.288700D-01 (multi-body)
7756 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7757 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7758 EELLO= -2.717872E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7759 ETURN3= 1.743721E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7760 ETURN4= -7.098839E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
7761 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7762 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7763 EDIHC= 0.000000E+00 (dihedral angle constraints)
7764 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7765 UCONST= 0.000000E+00 (Constraint energy)
7766 EDFAD= 5.491269-315 (DFA distance energy)
7767 EDFAT= 6.953158-310 (DFA torsion energy)
7768 EDFAN= 6.953158-310 (DFA NCa energy)
7769 EDFAB= 2.650815-317 (DFA Beta energy)
7770 ETOT= -8.406973E+01 (total)
7771 RMS deviation from the reference structure: 2.163
7772 % of native contacts: 50.000
7773 % of nonnative contacts: 66.667
7774 contact order: 0.323
7775 TM-score with the reference structure: 0.31
7778 Conformation # 159 sumsl return code 4
7780 Virtual-chain energies:
7782 EVDW= -5.279790E+01 WEIGHT= 1.352790D+00 (SC-SC)
7783 EVDW2= 4.320690E+01 WEIGHT= 1.593040D+00 (SC-p)
7784 EES= -8.623065E+01 WEIGHT= 7.153400D-01 (p-p)
7785 EVDWPP= -1.609644E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7786 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7787 EBE= -3.956218E+01 WEIGHT= 1.138730D+00 (bending)
7788 ESC= 5.898284E+01 WEIGHT= 1.625800D-01 (SC local)
7789 ETORS= 9.671271E+00 WEIGHT= 1.985990D+00 (torsional)
7790 ETORSD= -1.971714E+00 WEIGHT= 1.570690D+00 (double torsional)
7791 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7792 ECORR4= -6.391228E+01 WEIGHT= 4.288700D-01 (multi-body)
7793 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7794 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7795 EELLO= -1.117551E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7796 ETURN3= 1.837988E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7797 ETURN4= -4.530386E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7798 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7799 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7800 EDIHC= 0.000000E+00 (dihedral angle constraints)
7801 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7802 UCONST= 0.000000E+00 (Constraint energy)
7803 EDFAD= 5.491269-315 (DFA distance energy)
7804 EDFAT= 6.953158-310 (DFA torsion energy)
7805 EDFAN= 6.953158-310 (DFA NCa energy)
7806 EDFAB= 2.650815-317 (DFA Beta energy)
7807 ETOT= -8.503867E+01 (total)
7808 RMS deviation from the reference structure: 4.715
7809 % of native contacts: 41.667
7810 % of nonnative contacts: 73.684
7811 contact order: 0.337
7812 TM-score with the reference structure: 0.31
7815 Conformation # 131 sumsl return code 4
7817 Virtual-chain energies:
7819 EVDW= -4.897357E+01 WEIGHT= 1.352790D+00 (SC-SC)
7820 EVDW2= 3.915163E+01 WEIGHT= 1.593040D+00 (SC-p)
7821 EES= -7.616403E+01 WEIGHT= 7.153400D-01 (p-p)
7822 EVDWPP= -1.790272E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7823 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7824 EBE= -3.976098E+01 WEIGHT= 1.138730D+00 (bending)
7825 ESC= 3.234261E+01 WEIGHT= 1.625800D-01 (SC local)
7826 ETORS= 8.585411E+00 WEIGHT= 1.985990D+00 (torsional)
7827 ETORSD= -1.311838E+00 WEIGHT= 1.570690D+00 (double torsional)
7828 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7829 ECORR4= -5.707833E+01 WEIGHT= 4.288700D-01 (multi-body)
7830 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7831 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7832 EELLO= 9.255785E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7833 ETURN3= 1.512623E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7834 ETURN4= -2.021032E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7835 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7836 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7837 EDIHC= 0.000000E+00 (dihedral angle constraints)
7838 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7839 UCONST= 0.000000E+00 (Constraint energy)
7840 EDFAD= 5.491269-315 (DFA distance energy)
7841 EDFAT= 6.953158-310 (DFA torsion energy)
7842 EDFAN= 6.953158-310 (DFA NCa energy)
7843 EDFAB= 2.650815-317 (DFA Beta energy)
7844 ETOT= -8.557646E+01 (total)
7845 RMS deviation from the reference structure: 4.777
7846 % of native contacts: 16.667
7847 % of nonnative contacts: 85.714
7848 contact order: 0.419
7849 TM-score with the reference structure: 0.31
7850 CG processor 0 is finishing work.
7851 Total wall clock time 1.34375000000000 sec