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 Energy-term weights (unscaled):
55 WSCC= 1.352790 (SC-SC)
57 WELEC= 0.715340 (p-p electr)
58 WVDWPP= 0.113710 (p-p VDW)
59 WBOND= 1.000000 (stretching)
60 WANG= 1.138730 (bending)
61 WSCLOC= 0.162580 (SC local)
62 WTOR= 1.985990 (torsional)
63 WTORD= 1.570690 (double torsional)
64 WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
65 WEL_LOC= 0.160360 (multi-body 3-rd order)
66 WCORR4= 0.428870 (multi-body 4th order)
67 WCORR5= 0.000000 (multi-body 5th order)
68 WCORR6= 0.000000 (multi-body 6th order)
69 WSCCOR= 0.000000 (back-scloc correlation)
70 WTURN3= 1.687220 (turns, 3rd order)
71 WTURN4= 0.662300 (turns, 4th order)
72 WTURN6= 0.000000 (turns, 6th order)
73 WDFA_D= 0.000000 (DFA, distance)
74 WDFA_T= 0.000000 (DFA, torsional)
75 WDFA_N= 0.000000 (DFA, number of neighbor)
76 WDFA_B= 0.000000 (DFA, beta formation)
78 Hydrogen-bonding correlation between contact pairs of peptide groups
80 Scaling factor of 1,4 SC-p interactions: 0.400
81 General scaling factor of SC-p interactions: 1.000
83 Energy-term weights (scaled):
85 WSCC= 1.352790 (SC-SC)
87 WELEC= 0.715340 (p-p electr)
88 WVDWPP= 0.113710 (p-p VDW)
89 WBOND= 1.000000 (stretching)
90 WANG= 1.138730 (bending)
91 WSCLOC= 0.162580 (SC local)
92 WTOR= 1.985990 (torsional)
93 WTORD= 1.570690 (double torsional)
94 WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
95 WEL_LOC= 0.160360 (multi-body 3-rd order)
96 WCORR4= 0.428870 (multi-body 4th order)
97 WCORR5= 0.000000 (multi-body 5th order)
98 WCORR6= 0.000000 (multi-body 6th order)
99 WSCCOR= 0.000000 (back-scloc correlatkion)
100 WTURN3= 1.687220 (turns, 3rd order)
101 WTURN4= 0.662300 (turns, 4th order)
102 WTURN6= 0.000000 (turns, 6th order)
103 WDFA_D= 0.000000 (DFA, distance)
104 WDFA_T= 0.000000 (DFA, torsional)
105 WDFA_N= 0.000000 (DFA, number of neighbor)
106 WDFA_B= 0.000000 (DFA, beta formation)
107 Reference temperature for weights calculation: 300.000000000000
108 Parameters of the SS-bond potential:
109 D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH
110 11.0000000000000 AKCT 12.0000000000000
111 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
113 EBR -5.50000000000000
114 PDB data will be read from file 1l2y.pdb
116 Backbone and SC coordinates as read from the PDB
117 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051
118 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846
119 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550
120 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797
121 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393
122 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233
123 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450
124 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556
125 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146
126 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676
127 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593
128 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723
129 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058
130 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675
131 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546
132 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870
133 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986
134 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688
135 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856
136 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430
137 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488
138 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754
139 nsup= 20 nstart_sup= 2
163 Boundaries in phi angle sampling:
187 nsup= 20 nstart_sup= 2 nstart_seq= 2
188 NZ_START= 2 NZ_END= 21
190 Processor 0 CG group 0 absolute rank 0 nhpb
191 0 link_start= 1 link_end 0
192 Contact order: 0.337121212121212
193 Shifting contacts: 2 2
209 Geometry of the virtual chain.
210 Res d Theta Gamma Dsc Alpha Beta
211 D 1 0.000 0.000 0.000 0.000 0.000 0.000
212 ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452
213 LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530
214 TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440
215 ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333
216 GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638
217 TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913
218 LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750
219 LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960
220 ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646
221 GLY 11 3.800 89.908 56.679 0.000 0.000 0.000
222 GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000
223 PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580
224 SER 14 3.800 89.537 4.261 1.150 144.515 -129.218
225 SER 15 3.800 91.815 66.108 1.150 161.047 -100.177
226 GLY 16 3.800 101.784 70.140 0.000 0.000 0.000
227 ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716
228 PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024
229 PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417
230 PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207
231 SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341
232 D 22 3.800 114.201 180.000 0.000 0.000 0.000
235 ********************************************************************************
236 Processor 0: end reading molecular data.
237 ********************************************************************************
240 Energy minimization of multiple conformations calculation.
242 ********************************************************************************
246 Virtual-chain energies:
248 EVDW= -5.277355E+01 WEIGHT= 1.352790D+00 (SC-SC)
249 EVDW2= 4.508199E+01 WEIGHT= 1.593040D+00 (SC-p)
250 EES= -9.028203E+01 WEIGHT= 7.153400D-01 (p-p)
251 EVDWPP= -1.823414E+01 WEIGHT= 1.137100D-01 (p-p VDW)
252 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
253 EBE= -3.853951E+01 WEIGHT= 1.138730D+00 (bending)
254 ESC= 3.678531E+01 WEIGHT= 1.625800D-01 (SC local)
255 ETORS= 9.535118E+00 WEIGHT= 1.985990D+00 (torsional)
256 ETORSD= -6.847822E-01 WEIGHT= 1.570690D+00 (double torsional)
257 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
258 ECORR4= -6.543212E+01 WEIGHT= 4.288700D-01 (multi-body)
259 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
260 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
261 EELLO= -3.343992E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
262 ETURN3= 1.734098E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
263 ETURN4= -4.504336E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
264 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
265 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
266 EDIHC= 0.000000E+00 (dihedral angle constraints)
267 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
268 UCONST= 0.000000E+00 (Constraint energy)
269 EDFAD= 2.377498-315 (DFA distance energy)
270 EDFAT= 6.953299-310 (DFA torsion energy)
271 EDFAN= 1.976263-323 (DFA NCa energy)
272 EDFAB= 8.487983-314 (DFA Beta energy)
273 ETOT= -8.811500E+01 (total)
274 RMS deviation from the reference structure: 4.330
275 % of native contacts: 25.000
276 % of nonnative contacts: 86.364
278 TM-score with the reference structure: 0.28
281 Virtual-chain energies:
283 EVDW= -5.251980E+01 WEIGHT= 1.352790D+00 (SC-SC)
284 EVDW2= 4.557565E+01 WEIGHT= 1.593040D+00 (SC-p)
285 EES= -8.190119E+01 WEIGHT= 7.153400D-01 (p-p)
286 EVDWPP= -3.790745E+01 WEIGHT= 1.137100D-01 (p-p VDW)
287 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
288 EBE= -3.825223E+01 WEIGHT= 1.138730D+00 (bending)
289 ESC= 3.402943E+01 WEIGHT= 1.625800D-01 (SC local)
290 ETORS= 7.601050E+00 WEIGHT= 1.985990D+00 (torsional)
291 ETORSD= -8.209219E-01 WEIGHT= 1.570690D+00 (double torsional)
292 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
293 ECORR4= -6.006208E+01 WEIGHT= 4.288700D-01 (multi-body)
294 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
295 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
296 EELLO= -4.725922E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
297 ETURN3= 1.530707E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
298 ETURN4= -7.157321E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
299 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
300 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
301 EDIHC= 0.000000E+00 (dihedral angle constraints)
302 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
303 UCONST= 0.000000E+00 (Constraint energy)
304 EDFAD= 2.377498-315 (DFA distance energy)
305 EDFAT= 6.953299-310 (DFA torsion energy)
306 EDFAN= 1.976263-323 (DFA NCa energy)
307 EDFAB= 8.487983-314 (DFA Beta energy)
308 ETOT= -8.672665E+01 (total)
309 RMS deviation from the reference structure: 3.773
310 % of native contacts: 33.333
311 % of nonnative contacts: 81.818
313 TM-score with the reference structure: 0.29
316 Virtual-chain energies:
318 EVDW= -5.446579E+01 WEIGHT= 1.352790D+00 (SC-SC)
319 EVDW2= 5.095872E+01 WEIGHT= 1.593040D+00 (SC-p)
320 EES= -1.014699E+02 WEIGHT= 7.153400D-01 (p-p)
321 EVDWPP= -2.552848E+01 WEIGHT= 1.137100D-01 (p-p VDW)
322 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
323 EBE= -3.717362E+01 WEIGHT= 1.138730D+00 (bending)
324 ESC= 3.886214E+01 WEIGHT= 1.625800D-01 (SC local)
325 ETORS= 9.379723E+00 WEIGHT= 1.985990D+00 (torsional)
326 ETORSD= -1.578345E-01 WEIGHT= 1.570690D+00 (double torsional)
327 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
328 ECORR4= -7.663900E+01 WEIGHT= 4.288700D-01 (multi-body)
329 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
330 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
331 EELLO= -5.522594E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
332 ETURN3= 1.798695E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
333 ETURN4= -2.750841E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
334 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
335 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
336 EDIHC= 0.000000E+00 (dihedral angle constraints)
337 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
338 UCONST= 0.000000E+00 (Constraint energy)
339 EDFAD= 2.377498-315 (DFA distance energy)
340 EDFAT= 6.953299-310 (DFA torsion energy)
341 EDFAN= 1.976263-323 (DFA NCa energy)
342 EDFAB= 8.487983-314 (DFA Beta energy)
343 ETOT= -9.084990E+01 (total)
344 RMS deviation from the reference structure: 2.363
345 % of native contacts: 50.000
346 % of nonnative contacts: 73.913
348 TM-score with the reference structure: 0.30
351 Virtual-chain energies:
353 EVDW= -5.606128E+01 WEIGHT= 1.352790D+00 (SC-SC)
354 EVDW2= 5.183314E+01 WEIGHT= 1.593040D+00 (SC-p)
355 EES= -9.588857E+01 WEIGHT= 7.153400D-01 (p-p)
356 EVDWPP= -3.464252E+01 WEIGHT= 1.137100D-01 (p-p VDW)
357 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
358 EBE= -3.689779E+01 WEIGHT= 1.138730D+00 (bending)
359 ESC= 4.826124E+01 WEIGHT= 1.625800D-01 (SC local)
360 ETORS= 1.089313E+01 WEIGHT= 1.985990D+00 (torsional)
361 ETORSD= -3.224198E+00 WEIGHT= 1.570690D+00 (double torsional)
362 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
363 ECORR4= -7.305487E+01 WEIGHT= 4.288700D-01 (multi-body)
364 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
365 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
366 EELLO= -5.019929E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
367 ETURN3= 1.660072E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
368 ETURN4= 1.544090E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
369 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
370 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
371 EDIHC= 0.000000E+00 (dihedral angle constraints)
372 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
373 UCONST= 0.000000E+00 (Constraint energy)
374 EDFAD= 2.377498-315 (DFA distance energy)
375 EDFAT= 6.953299-310 (DFA torsion energy)
376 EDFAN= 1.976263-323 (DFA NCa energy)
377 EDFAB= 8.487983-314 (DFA Beta energy)
378 ETOT= -8.650422E+01 (total)
379 RMS deviation from the reference structure: 2.838
380 % of native contacts: 66.667
381 % of nonnative contacts: 66.667
383 TM-score with the reference structure: 0.30
386 Virtual-chain energies:
388 EVDW= -5.255321E+01 WEIGHT= 1.352790D+00 (SC-SC)
389 EVDW2= 4.613308E+01 WEIGHT= 1.593040D+00 (SC-p)
390 EES= -8.863095E+01 WEIGHT= 7.153400D-01 (p-p)
391 EVDWPP= -1.686737E+01 WEIGHT= 1.137100D-01 (p-p VDW)
392 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
393 EBE= -4.122930E+01 WEIGHT= 1.138730D+00 (bending)
394 ESC= 3.531258E+01 WEIGHT= 1.625800D-01 (SC local)
395 ETORS= 1.092832E+01 WEIGHT= 1.985990D+00 (torsional)
396 ETORSD= -2.038195E+00 WEIGHT= 1.570690D+00 (double torsional)
397 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
398 ECORR4= -6.579369E+01 WEIGHT= 4.288700D-01 (multi-body)
399 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
400 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
401 EELLO= -1.609578E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
402 ETURN3= 1.869763E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
403 ETURN4= -5.052851E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
404 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
405 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
406 EDIHC= 0.000000E+00 (dihedral angle constraints)
407 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
408 UCONST= 0.000000E+00 (Constraint energy)
409 EDFAD= 2.377498-315 (DFA distance energy)
410 EDFAT= 6.953299-310 (DFA torsion energy)
411 EDFAN= 1.976263-323 (DFA NCa energy)
412 EDFAB= 8.487983-314 (DFA Beta energy)
413 ETOT= -8.590119E+01 (total)
414 RMS deviation from the reference structure: 5.007
415 % of native contacts: 33.333
416 % of nonnative contacts: 83.333
418 TM-score with the reference structure: 0.26
421 Virtual-chain energies:
423 EVDW= -4.823654E+01 WEIGHT= 1.352790D+00 (SC-SC)
424 EVDW2= 5.043319E+01 WEIGHT= 1.593040D+00 (SC-p)
425 EES= -1.041154E+02 WEIGHT= 7.153400D-01 (p-p)
426 EVDWPP= -2.478315E+01 WEIGHT= 1.137100D-01 (p-p VDW)
427 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
428 EBE= -4.213660E+01 WEIGHT= 1.138730D+00 (bending)
429 ESC= 2.308890E+01 WEIGHT= 1.625800D-01 (SC local)
430 ETORS= 1.276788E+01 WEIGHT= 1.985990D+00 (torsional)
431 ETORSD= -2.275550E+00 WEIGHT= 1.570690D+00 (double torsional)
432 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
433 ECORR4= -7.557743E+01 WEIGHT= 4.288700D-01 (multi-body)
434 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
435 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
436 EELLO= -9.442470E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
437 ETURN3= 1.819088E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
438 ETURN4= 5.680369E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
439 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
440 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
441 EDIHC= 0.000000E+00 (dihedral angle constraints)
442 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
443 UCONST= 0.000000E+00 (Constraint energy)
444 EDFAD= 2.377498-315 (DFA distance energy)
445 EDFAT= 6.953299-310 (DFA torsion energy)
446 EDFAN= 1.976263-323 (DFA NCa energy)
447 EDFAB= 8.487983-314 (DFA Beta energy)
448 ETOT= -8.412648E+01 (total)
449 RMS deviation from the reference structure: 4.360
450 % of native contacts: 41.667
451 % of nonnative contacts: 76.190
453 TM-score with the reference structure: 0.26
456 Virtual-chain energies:
458 EVDW= -4.928318E+01 WEIGHT= 1.352790D+00 (SC-SC)
459 EVDW2= 4.086861E+01 WEIGHT= 1.593040D+00 (SC-p)
460 EES= -7.804166E+01 WEIGHT= 7.153400D-01 (p-p)
461 EVDWPP= -2.614202E+01 WEIGHT= 1.137100D-01 (p-p VDW)
462 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
463 EBE= -3.767602E+01 WEIGHT= 1.138730D+00 (bending)
464 ESC= 2.987689E+01 WEIGHT= 1.625800D-01 (SC local)
465 ETORS= 7.312651E+00 WEIGHT= 1.985990D+00 (torsional)
466 ETORSD= -1.214966E+00 WEIGHT= 1.570690D+00 (double torsional)
467 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
468 ECORR4= -5.788057E+01 WEIGHT= 4.288700D-01 (multi-body)
469 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
470 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
471 EELLO= 5.764396E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
472 ETURN3= 1.546085E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
473 ETURN4= -1.278603E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
474 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
475 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
476 EDIHC= 0.000000E+00 (dihedral angle constraints)
477 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
478 UCONST= 0.000000E+00 (Constraint energy)
479 EDFAD= 2.377498-315 (DFA distance energy)
480 EDFAT= 6.953299-310 (DFA torsion energy)
481 EDFAN= 1.976263-323 (DFA NCa energy)
482 EDFAB= 8.487983-314 (DFA Beta energy)
483 ETOT= -8.528607E+01 (total)
484 RMS deviation from the reference structure: 3.631
485 % of native contacts: 33.333
486 % of nonnative contacts: 76.471
488 TM-score with the reference structure: 0.30
491 Virtual-chain energies:
493 EVDW= -5.862641E+01 WEIGHT= 1.352790D+00 (SC-SC)
494 EVDW2= 5.301174E+01 WEIGHT= 1.593040D+00 (SC-p)
495 EES= -1.055438E+02 WEIGHT= 7.153400D-01 (p-p)
496 EVDWPP= -2.881520E+01 WEIGHT= 1.137100D-01 (p-p VDW)
497 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
498 EBE= -3.731284E+01 WEIGHT= 1.138730D+00 (bending)
499 ESC= 5.999344E+01 WEIGHT= 1.625800D-01 (SC local)
500 ETORS= 1.274223E+01 WEIGHT= 1.985990D+00 (torsional)
501 ETORSD= -2.776733E+00 WEIGHT= 1.570690D+00 (double torsional)
502 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
503 ECORR4= -8.174838E+01 WEIGHT= 4.288700D-01 (multi-body)
504 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
505 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
506 EELLO= -6.338755E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
507 ETURN3= 1.909216E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
508 ETURN4= 4.173305E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
509 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
510 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
511 EDIHC= 0.000000E+00 (dihedral angle constraints)
512 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
513 UCONST= 0.000000E+00 (Constraint energy)
514 EDFAD= 2.377498-315 (DFA distance energy)
515 EDFAT= 6.953299-310 (DFA torsion energy)
516 EDFAN= 1.976263-323 (DFA NCa energy)
517 EDFAB= 8.487983-314 (DFA Beta energy)
518 ETOT= -8.926226E+01 (total)
519 RMS deviation from the reference structure: 2.390
520 % of native contacts: 50.000
521 % of nonnative contacts: 76.000
523 TM-score with the reference structure: 0.31
526 Virtual-chain energies:
528 EVDW= -5.332783E+01 WEIGHT= 1.352790D+00 (SC-SC)
529 EVDW2= 4.662159E+01 WEIGHT= 1.593040D+00 (SC-p)
530 EES= -8.454876E+01 WEIGHT= 7.153400D-01 (p-p)
531 EVDWPP= -3.569960E+01 WEIGHT= 1.137100D-01 (p-p VDW)
532 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
533 EBE= -3.585721E+01 WEIGHT= 1.138730D+00 (bending)
534 ESC= 4.158059E+01 WEIGHT= 1.625800D-01 (SC local)
535 ETORS= 9.792527E+00 WEIGHT= 1.985990D+00 (torsional)
536 ETORSD= -3.212400E+00 WEIGHT= 1.570690D+00 (double torsional)
537 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
538 ECORR4= -6.512359E+01 WEIGHT= 4.288700D-01 (multi-body)
539 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
540 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
541 EELLO= -2.002121E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
542 ETURN3= 1.468139E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
543 ETURN4= 2.449282E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
544 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
545 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
546 EDIHC= 0.000000E+00 (dihedral angle constraints)
547 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
548 UCONST= 0.000000E+00 (Constraint energy)
549 EDFAD= 2.377498-315 (DFA distance energy)
550 EDFAT= 6.953299-310 (DFA torsion energy)
551 EDFAN= 1.976263-323 (DFA NCa energy)
552 EDFAB= 8.487983-314 (DFA Beta energy)
553 ETOT= -8.393886E+01 (total)
554 RMS deviation from the reference structure: 3.262
555 % of native contacts: 41.667
556 % of nonnative contacts: 72.222
558 TM-score with the reference structure: 0.28
561 Virtual-chain energies:
563 EVDW= -4.982113E+01 WEIGHT= 1.352790D+00 (SC-SC)
564 EVDW2= 4.887765E+01 WEIGHT= 1.593040D+00 (SC-p)
565 EES= -9.530591E+01 WEIGHT= 7.153400D-01 (p-p)
566 EVDWPP= -2.324039E+01 WEIGHT= 1.137100D-01 (p-p VDW)
567 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
568 EBE= -4.149840E+01 WEIGHT= 1.138730D+00 (bending)
569 ESC= 4.632018E+01 WEIGHT= 1.625800D-01 (SC local)
570 ETORS= 8.888793E+00 WEIGHT= 1.985990D+00 (torsional)
571 ETORSD= 3.515570E-01 WEIGHT= 1.570690D+00 (double torsional)
572 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
573 ECORR4= -6.770865E+01 WEIGHT= 4.288700D-01 (multi-body)
574 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
575 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
576 EELLO= -2.962317E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
577 ETURN3= 1.745555E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
578 ETURN4= -3.276455E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
579 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
580 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
581 EDIHC= 0.000000E+00 (dihedral angle constraints)
582 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
583 UCONST= 0.000000E+00 (Constraint energy)
584 EDFAD= 2.377498-315 (DFA distance energy)
585 EDFAT= 6.953299-310 (DFA torsion energy)
586 EDFAN= 1.976263-323 (DFA NCa energy)
587 EDFAB= 8.487983-314 (DFA Beta energy)
588 ETOT= -8.410365E+01 (total)
589 RMS deviation from the reference structure: 4.352
590 % of native contacts: 33.333
591 % of nonnative contacts: 80.000
593 TM-score with the reference structure: 0.31
596 Virtual-chain energies:
598 EVDW= -5.294995E+01 WEIGHT= 1.352790D+00 (SC-SC)
599 EVDW2= 5.050728E+01 WEIGHT= 1.593040D+00 (SC-p)
600 EES= -1.003696E+02 WEIGHT= 7.153400D-01 (p-p)
601 EVDWPP= -2.331857E+01 WEIGHT= 1.137100D-01 (p-p VDW)
602 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
603 EBE= -3.851687E+01 WEIGHT= 1.138730D+00 (bending)
604 ESC= 4.201114E+01 WEIGHT= 1.625800D-01 (SC local)
605 ETORS= 1.081150E+01 WEIGHT= 1.985990D+00 (torsional)
606 ETORSD= -8.682220E-01 WEIGHT= 1.570690D+00 (double torsional)
607 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
608 ECORR4= -7.698421E+01 WEIGHT= 4.288700D-01 (multi-body)
609 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
610 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
611 EELLO= -7.837742E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
612 ETURN3= 1.913577E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
613 ETURN4= 1.242353E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
614 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
615 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
616 EDIHC= 0.000000E+00 (dihedral angle constraints)
617 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
618 UCONST= 0.000000E+00 (Constraint energy)
619 EDFAD= 2.377498-315 (DFA distance energy)
620 EDFAT= 6.953299-310 (DFA torsion energy)
621 EDFAN= 1.976263-323 (DFA NCa energy)
622 EDFAB= 8.487983-314 (DFA Beta energy)
623 ETOT= -8.370635E+01 (total)
624 RMS deviation from the reference structure: 2.662
625 % of native contacts: 50.000
626 % of nonnative contacts: 68.421
628 TM-score with the reference structure: 0.34
631 Virtual-chain energies:
633 EVDW= -5.113252E+01 WEIGHT= 1.352790D+00 (SC-SC)
634 EVDW2= 5.019771E+01 WEIGHT= 1.593040D+00 (SC-p)
635 EES= -9.003288E+01 WEIGHT= 7.153400D-01 (p-p)
636 EVDWPP= -3.975274E+01 WEIGHT= 1.137100D-01 (p-p VDW)
637 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
638 EBE= -3.403176E+01 WEIGHT= 1.138730D+00 (bending)
639 ESC= 2.528815E+01 WEIGHT= 1.625800D-01 (SC local)
640 ETORS= 6.670682E+00 WEIGHT= 1.985990D+00 (torsional)
641 ETORSD= 3.814691E-01 WEIGHT= 1.570690D+00 (double torsional)
642 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
643 ECORR4= -6.732166E+01 WEIGHT= 4.288700D-01 (multi-body)
644 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
645 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
646 EELLO= -5.201917E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
647 ETURN3= 1.498135E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
648 ETURN4= -2.412058E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
649 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
650 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
651 EDIHC= 0.000000E+00 (dihedral angle constraints)
652 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
653 UCONST= 0.000000E+00 (Constraint energy)
654 EDFAD= 2.377498-315 (DFA distance energy)
655 EDFAT= 6.953299-310 (DFA torsion energy)
656 EDFAN= 1.976263-323 (DFA NCa energy)
657 EDFAB= 8.487983-314 (DFA Beta energy)
658 ETOT= -8.495066E+01 (total)
659 RMS deviation from the reference structure: 3.856
660 % of native contacts: 33.333
661 % of nonnative contacts: 78.947
663 TM-score with the reference structure: 0.26
666 Virtual-chain energies:
668 EVDW= -5.568839E+01 WEIGHT= 1.352790D+00 (SC-SC)
669 EVDW2= 4.807897E+01 WEIGHT= 1.593040D+00 (SC-p)
670 EES= -9.705766E+01 WEIGHT= 7.153400D-01 (p-p)
671 EVDWPP= -2.142923E+01 WEIGHT= 1.137100D-01 (p-p VDW)
672 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
673 EBE= -3.949129E+01 WEIGHT= 1.138730D+00 (bending)
674 ESC= 5.020838E+01 WEIGHT= 1.625800D-01 (SC local)
675 ETORS= 1.211623E+01 WEIGHT= 1.985990D+00 (torsional)
676 ETORSD= -1.989858E+00 WEIGHT= 1.570690D+00 (double torsional)
677 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
678 ECORR4= -7.175275E+01 WEIGHT= 4.288700D-01 (multi-body)
679 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
680 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
681 EELLO= -3.799506E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
682 ETURN3= 1.920283E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
683 ETURN4= -1.109839E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
684 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
685 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
686 EDIHC= 0.000000E+00 (dihedral angle constraints)
687 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
688 UCONST= 0.000000E+00 (Constraint energy)
689 EDFAD= 2.377498-315 (DFA distance energy)
690 EDFAT= 6.953299-310 (DFA torsion energy)
691 EDFAN= 1.976263-323 (DFA NCa energy)
692 EDFAB= 8.487983-314 (DFA Beta energy)
693 ETOT= -8.619624E+01 (total)
694 RMS deviation from the reference structure: 3.189
695 % of native contacts: 33.333
696 % of nonnative contacts: 77.778
698 TM-score with the reference structure: 0.30
701 Virtual-chain energies:
703 EVDW= -5.435575E+01 WEIGHT= 1.352790D+00 (SC-SC)
704 EVDW2= 5.746635E+01 WEIGHT= 1.593040D+00 (SC-p)
705 EES= -1.188862E+02 WEIGHT= 7.153400D-01 (p-p)
706 EVDWPP= -1.550518E+01 WEIGHT= 1.137100D-01 (p-p VDW)
707 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
708 EBE= -4.309566E+01 WEIGHT= 1.138730D+00 (bending)
709 ESC= 5.501625E+01 WEIGHT= 1.625800D-01 (SC local)
710 ETORS= 1.332433E+01 WEIGHT= 1.985990D+00 (torsional)
711 ETORSD= 1.707036E+00 WEIGHT= 1.570690D+00 (double torsional)
712 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
713 ECORR4= -8.438380E+01 WEIGHT= 4.288700D-01 (multi-body)
714 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
715 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
716 EELLO= -2.386408E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
717 ETURN3= 1.927310E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
718 ETURN4= -2.128646E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
719 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
720 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
721 EDIHC= 0.000000E+00 (dihedral angle constraints)
722 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
723 UCONST= 0.000000E+00 (Constraint energy)
724 EDFAD= 2.377498-315 (DFA distance energy)
725 EDFAT= 6.953299-310 (DFA torsion energy)
726 EDFAN= 1.976263-323 (DFA NCa energy)
727 EDFAB= 8.487983-314 (DFA Beta energy)
728 ETOT= -8.524364E+01 (total)
729 RMS deviation from the reference structure: 2.759
730 % of native contacts: 25.000
731 % of nonnative contacts: 85.714
733 TM-score with the reference structure: 0.28
736 Virtual-chain energies:
738 EVDW= -5.394060E+01 WEIGHT= 1.352790D+00 (SC-SC)
739 EVDW2= 4.119811E+01 WEIGHT= 1.593040D+00 (SC-p)
740 EES= -6.696898E+01 WEIGHT= 7.153400D-01 (p-p)
741 EVDWPP= -3.107548E+01 WEIGHT= 1.137100D-01 (p-p VDW)
742 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
743 EBE= -3.782464E+01 WEIGHT= 1.138730D+00 (bending)
744 ESC= 4.791239E+01 WEIGHT= 1.625800D-01 (SC local)
745 ETORS= 5.046426E+00 WEIGHT= 1.985990D+00 (torsional)
746 ETORSD= -1.222570E+00 WEIGHT= 1.570690D+00 (double torsional)
747 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
748 ECORR4= -4.758934E+01 WEIGHT= 4.288700D-01 (multi-body)
749 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
750 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
751 EELLO= -2.841786E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
752 ETURN3= 1.337657E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
753 ETURN4= -1.286699E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
754 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
755 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
756 EDIHC= 0.000000E+00 (dihedral angle constraints)
757 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
758 UCONST= 0.000000E+00 (Constraint energy)
759 EDFAD= 2.377498-315 (DFA distance energy)
760 EDFAT= 6.953299-310 (DFA torsion energy)
761 EDFAN= 1.976263-323 (DFA NCa energy)
762 EDFAB= 8.487983-314 (DFA Beta energy)
763 ETOT= -8.510814E+01 (total)
764 RMS deviation from the reference structure: 5.534
765 % of native contacts: 16.667
766 % of nonnative contacts: 88.889
768 TM-score with the reference structure: 0.22
771 Virtual-chain energies:
773 EVDW= -5.178682E+01 WEIGHT= 1.352790D+00 (SC-SC)
774 EVDW2= 4.899694E+01 WEIGHT= 1.593040D+00 (SC-p)
775 EES= -1.022833E+02 WEIGHT= 7.153400D-01 (p-p)
776 EVDWPP= -2.356749E+01 WEIGHT= 1.137100D-01 (p-p VDW)
777 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
778 EBE= -3.973712E+01 WEIGHT= 1.138730D+00 (bending)
779 ESC= 4.926765E+01 WEIGHT= 1.625800D-01 (SC local)
780 ETORS= 1.045676E+01 WEIGHT= 1.985990D+00 (torsional)
781 ETORSD= 1.031618E+00 WEIGHT= 1.570690D+00 (double torsional)
782 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
783 ECORR4= -7.143717E+01 WEIGHT= 4.288700D-01 (multi-body)
784 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
785 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
786 EELLO= -3.207673E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
787 ETURN3= 1.751152E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
788 ETURN4= -3.222045E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
789 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
790 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
791 EDIHC= 0.000000E+00 (dihedral angle constraints)
792 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
793 UCONST= 0.000000E+00 (Constraint energy)
794 EDFAD= 2.377498-315 (DFA distance energy)
795 EDFAT= 6.953299-310 (DFA torsion energy)
796 EDFAN= 1.976263-323 (DFA NCa energy)
797 EDFAB= 8.487983-314 (DFA Beta energy)
798 ETOT= -8.644215E+01 (total)
799 RMS deviation from the reference structure: 3.750
800 % of native contacts: 41.667
801 % of nonnative contacts: 72.222
803 TM-score with the reference structure: 0.35
806 Virtual-chain energies:
808 EVDW= -5.234992E+01 WEIGHT= 1.352790D+00 (SC-SC)
809 EVDW2= 4.748400E+01 WEIGHT= 1.593040D+00 (SC-p)
810 EES= -9.668597E+01 WEIGHT= 7.153400D-01 (p-p)
811 EVDWPP= -2.195393E+01 WEIGHT= 1.137100D-01 (p-p VDW)
812 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
813 EBE= -3.858644E+01 WEIGHT= 1.138730D+00 (bending)
814 ESC= 2.961446E+01 WEIGHT= 1.625800D-01 (SC local)
815 ETORS= 1.220670E+01 WEIGHT= 1.985990D+00 (torsional)
816 ETORSD= -2.573780E+00 WEIGHT= 1.570690D+00 (double torsional)
817 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
818 ECORR4= -7.011469E+01 WEIGHT= 4.288700D-01 (multi-body)
819 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
820 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
821 EELLO= -2.185470E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
822 ETURN3= 1.708778E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
823 ETURN4= 1.630177E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
824 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
825 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
826 EDIHC= 0.000000E+00 (dihedral angle constraints)
827 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
828 UCONST= 0.000000E+00 (Constraint energy)
829 EDFAD= 2.377498-315 (DFA distance energy)
830 EDFAT= 6.953299-310 (DFA torsion energy)
831 EDFAN= 1.976263-323 (DFA NCa energy)
832 EDFAB= 8.487983-314 (DFA Beta energy)
833 ETOT= -8.595393E+01 (total)
834 RMS deviation from the reference structure: 3.546
835 % of native contacts: 41.667
836 % of nonnative contacts: 77.273
838 TM-score with the reference structure: 0.29
841 Virtual-chain energies:
843 EVDW= -5.320895E+01 WEIGHT= 1.352790D+00 (SC-SC)
844 EVDW2= 4.265297E+01 WEIGHT= 1.593040D+00 (SC-p)
845 EES= -7.984213E+01 WEIGHT= 7.153400D-01 (p-p)
846 EVDWPP= -2.513972E+01 WEIGHT= 1.137100D-01 (p-p VDW)
847 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
848 EBE= -4.043916E+01 WEIGHT= 1.138730D+00 (bending)
849 ESC= 4.975030E+01 WEIGHT= 1.625800D-01 (SC local)
850 ETORS= 9.844203E+00 WEIGHT= 1.985990D+00 (torsional)
851 ETORSD= -3.040072E-01 WEIGHT= 1.570690D+00 (double torsional)
852 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
853 ECORR4= -5.337459E+01 WEIGHT= 4.288700D-01 (multi-body)
854 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
855 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
856 EELLO= -5.041292E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
857 ETURN3= 1.310754E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
858 ETURN4= -1.164553E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
859 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
860 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
861 EDIHC= 0.000000E+00 (dihedral angle constraints)
862 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
863 UCONST= 0.000000E+00 (Constraint energy)
864 EDFAD= 2.377498-315 (DFA distance energy)
865 EDFAT= 6.953299-310 (DFA torsion energy)
866 EDFAN= 1.976263-323 (DFA NCa energy)
867 EDFAB= 8.487983-314 (DFA Beta energy)
868 ETOT= -8.452105E+01 (total)
869 RMS deviation from the reference structure: 4.901
870 % of native contacts: 16.667
871 % of nonnative contacts: 88.889
873 TM-score with the reference structure: 0.27
876 Virtual-chain energies:
878 EVDW= -5.355953E+01 WEIGHT= 1.352790D+00 (SC-SC)
879 EVDW2= 5.202251E+01 WEIGHT= 1.593040D+00 (SC-p)
880 EES= -1.105237E+02 WEIGHT= 7.153400D-01 (p-p)
881 EVDWPP= -1.860270E+01 WEIGHT= 1.137100D-01 (p-p VDW)
882 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
883 EBE= -3.883534E+01 WEIGHT= 1.138730D+00 (bending)
884 ESC= 4.166339E+01 WEIGHT= 1.625800D-01 (SC local)
885 ETORS= 1.340608E+01 WEIGHT= 1.985990D+00 (torsional)
886 ETORSD= -2.521955E+00 WEIGHT= 1.570690D+00 (double torsional)
887 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
888 ECORR4= -8.293640E+01 WEIGHT= 4.288700D-01 (multi-body)
889 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
890 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
891 EELLO= -3.693358E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
892 ETURN3= 2.130384E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
893 ETURN4= -5.425361E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
894 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
895 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
896 EDIHC= 0.000000E+00 (dihedral angle constraints)
897 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
898 UCONST= 0.000000E+00 (Constraint energy)
899 EDFAD= 2.377498-315 (DFA distance energy)
900 EDFAT= 6.953299-310 (DFA torsion energy)
901 EDFAN= 1.976263-323 (DFA NCa energy)
902 EDFAB= 8.487983-314 (DFA Beta energy)
903 ETOT= -8.612065E+01 (total)
904 RMS deviation from the reference structure: 2.066
905 % of native contacts: 41.667
906 % of nonnative contacts: 73.684
908 TM-score with the reference structure: 0.30
911 Virtual-chain energies:
913 EVDW= -5.712499E+01 WEIGHT= 1.352790D+00 (SC-SC)
914 EVDW2= 5.358032E+01 WEIGHT= 1.593040D+00 (SC-p)
915 EES= -1.023686E+02 WEIGHT= 7.153400D-01 (p-p)
916 EVDWPP= -3.246618E+01 WEIGHT= 1.137100D-01 (p-p VDW)
917 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
918 EBE= -3.627662E+01 WEIGHT= 1.138730D+00 (bending)
919 ESC= 4.396205E+01 WEIGHT= 1.625800D-01 (SC local)
920 ETORS= 1.207184E+01 WEIGHT= 1.985990D+00 (torsional)
921 ETORSD= -3.068179E+00 WEIGHT= 1.570690D+00 (double torsional)
922 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
923 ECORR4= -8.012339E+01 WEIGHT= 4.288700D-01 (multi-body)
924 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
925 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
926 EELLO= -8.833204E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
927 ETURN3= 1.858505E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
928 ETURN4= 2.893567E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
929 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
930 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
931 EDIHC= 0.000000E+00 (dihedral angle constraints)
932 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
933 UCONST= 0.000000E+00 (Constraint energy)
934 EDFAD= 2.377498-315 (DFA distance energy)
935 EDFAT= 6.953299-310 (DFA torsion energy)
936 EDFAN= 1.976263-323 (DFA NCa energy)
937 EDFAB= 8.487983-314 (DFA Beta energy)
938 ETOT= -8.635467E+01 (total)
939 RMS deviation from the reference structure: 3.133
940 % of native contacts: 41.667
941 % of nonnative contacts: 76.190
943 TM-score with the reference structure: 0.34
946 Virtual-chain energies:
948 EVDW= -5.209557E+01 WEIGHT= 1.352790D+00 (SC-SC)
949 EVDW2= 4.960633E+01 WEIGHT= 1.593040D+00 (SC-p)
950 EES= -1.007539E+02 WEIGHT= 7.153400D-01 (p-p)
951 EVDWPP= -3.312538E+01 WEIGHT= 1.137100D-01 (p-p VDW)
952 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
953 EBE= -3.692254E+01 WEIGHT= 1.138730D+00 (bending)
954 ESC= 4.668595E+01 WEIGHT= 1.625800D-01 (SC local)
955 ETORS= 9.319568E+00 WEIGHT= 1.985990D+00 (torsional)
956 ETORSD= 7.202426E-01 WEIGHT= 1.570690D+00 (double torsional)
957 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
958 ECORR4= -7.522076E+01 WEIGHT= 4.288700D-01 (multi-body)
959 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
960 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
961 EELLO= -5.412386E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
962 ETURN3= 1.859975E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
963 ETURN4= -3.150601E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
964 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
965 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
966 EDIHC= 0.000000E+00 (dihedral angle constraints)
967 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
968 UCONST= 0.000000E+00 (Constraint energy)
969 EDFAD= 2.377498-315 (DFA distance energy)
970 EDFAT= 6.953299-310 (DFA torsion energy)
971 EDFAN= 1.976263-323 (DFA NCa energy)
972 EDFAB= 8.487983-314 (DFA Beta energy)
973 ETOT= -8.593686E+01 (total)
974 RMS deviation from the reference structure: 3.048
975 % of native contacts: 41.667
976 % of nonnative contacts: 72.222
978 TM-score with the reference structure: 0.30
981 Virtual-chain energies:
983 EVDW= -5.095974E+01 WEIGHT= 1.352790D+00 (SC-SC)
984 EVDW2= 5.112440E+01 WEIGHT= 1.593040D+00 (SC-p)
985 EES= -1.033507E+02 WEIGHT= 7.153400D-01 (p-p)
986 EVDWPP= -2.050311E+01 WEIGHT= 1.137100D-01 (p-p VDW)
987 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
988 EBE= -3.929738E+01 WEIGHT= 1.138730D+00 (bending)
989 ESC= 3.707020E+01 WEIGHT= 1.625800D-01 (SC local)
990 ETORS= 1.206472E+01 WEIGHT= 1.985990D+00 (torsional)
991 ETORSD= -2.136518E+00 WEIGHT= 1.570690D+00 (double torsional)
992 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
993 ECORR4= -7.595904E+01 WEIGHT= 4.288700D-01 (multi-body)
994 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
995 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
996 EELLO= -1.525163E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
997 ETURN3= 1.713519E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
998 ETURN4= -1.677106E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
999 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1000 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1001 EDIHC= 0.000000E+00 (dihedral angle constraints)
1002 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1003 UCONST= 0.000000E+00 (Constraint energy)
1004 EDFAD= 2.377498-315 (DFA distance energy)
1005 EDFAT= 6.953299-310 (DFA torsion energy)
1006 EDFAN= 1.976263-323 (DFA NCa energy)
1007 EDFAB= 8.487983-314 (DFA Beta energy)
1008 ETOT= -8.689557E+01 (total)
1009 RMS deviation from the reference structure: 4.042
1010 % of native contacts: 25.000
1011 % of nonnative contacts: 86.364
1012 contact order: 0.355
1013 TM-score with the reference structure: 0.31
1016 Virtual-chain energies:
1018 EVDW= -5.150713E+01 WEIGHT= 1.352790D+00 (SC-SC)
1019 EVDW2= 5.420075E+01 WEIGHT= 1.593040D+00 (SC-p)
1020 EES= -1.191296E+02 WEIGHT= 7.153400D-01 (p-p)
1021 EVDWPP= -1.100553E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1022 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1023 EBE= -4.123375E+01 WEIGHT= 1.138730D+00 (bending)
1024 ESC= 3.964791E+01 WEIGHT= 1.625800D-01 (SC local)
1025 ETORS= 1.456166E+01 WEIGHT= 1.985990D+00 (torsional)
1026 ETORSD= -9.617097E-01 WEIGHT= 1.570690D+00 (double torsional)
1027 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1028 ECORR4= -8.851558E+01 WEIGHT= 4.288700D-01 (multi-body)
1029 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1030 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1031 EELLO= -4.490518E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1032 ETURN3= 2.006566E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1033 ETURN4= 6.250428E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1034 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1035 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1036 EDIHC= 0.000000E+00 (dihedral angle constraints)
1037 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1038 UCONST= 0.000000E+00 (Constraint energy)
1039 EDFAD= 2.377498-315 (DFA distance energy)
1040 EDFAT= 6.953299-310 (DFA torsion energy)
1041 EDFAN= 1.976263-323 (DFA NCa energy)
1042 EDFAB= 8.487983-314 (DFA Beta energy)
1043 ETOT= -8.666794E+01 (total)
1044 RMS deviation from the reference structure: 1.656
1045 % of native contacts: 66.667
1046 % of nonnative contacts: 61.905
1047 contact order: 0.288
1048 TM-score with the reference structure: 0.33
1051 Virtual-chain energies:
1053 EVDW= -5.959888E+01 WEIGHT= 1.352790D+00 (SC-SC)
1054 EVDW2= 5.259420E+01 WEIGHT= 1.593040D+00 (SC-p)
1055 EES= -1.036390E+02 WEIGHT= 7.153400D-01 (p-p)
1056 EVDWPP= -2.768967E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1057 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1058 EBE= -3.730951E+01 WEIGHT= 1.138730D+00 (bending)
1059 ESC= 5.379161E+01 WEIGHT= 1.625800D-01 (SC local)
1060 ETORS= 1.228088E+01 WEIGHT= 1.985990D+00 (torsional)
1061 ETORSD= -2.606335E+00 WEIGHT= 1.570690D+00 (double torsional)
1062 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1063 ECORR4= -8.016504E+01 WEIGHT= 4.288700D-01 (multi-body)
1064 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1065 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1066 EELLO= -5.103704E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1067 ETURN3= 1.889639E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1068 ETURN4= 1.885477E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1069 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1070 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1071 EDIHC= 0.000000E+00 (dihedral angle constraints)
1072 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1073 UCONST= 0.000000E+00 (Constraint energy)
1074 EDFAD= 2.377498-315 (DFA distance energy)
1075 EDFAT= 6.953299-310 (DFA torsion energy)
1076 EDFAN= 1.976263-323 (DFA NCa energy)
1077 EDFAB= 8.487983-314 (DFA Beta energy)
1078 ETOT= -9.076142E+01 (total)
1079 RMS deviation from the reference structure: 2.745
1080 % of native contacts: 50.000
1081 % of nonnative contacts: 73.913
1082 contact order: 0.362
1083 TM-score with the reference structure: 0.32
1086 Virtual-chain energies:
1088 EVDW= -5.445974E+01 WEIGHT= 1.352790D+00 (SC-SC)
1089 EVDW2= 4.539083E+01 WEIGHT= 1.593040D+00 (SC-p)
1090 EES= -7.761325E+01 WEIGHT= 7.153400D-01 (p-p)
1091 EVDWPP= -4.074829E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1092 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1093 EBE= -3.583094E+01 WEIGHT= 1.138730D+00 (bending)
1094 ESC= 4.394898E+01 WEIGHT= 1.625800D-01 (SC local)
1095 ETORS= 5.728729E+00 WEIGHT= 1.985990D+00 (torsional)
1096 ETORSD= 9.394145E-01 WEIGHT= 1.570690D+00 (double torsional)
1097 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1098 ECORR4= -5.664166E+01 WEIGHT= 4.288700D-01 (multi-body)
1099 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1100 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1101 EELLO= -4.262462E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1102 ETURN3= 1.267298E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1103 ETURN4= -2.606288E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1104 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1105 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1106 EDIHC= 0.000000E+00 (dihedral angle constraints)
1107 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1108 UCONST= 0.000000E+00 (Constraint energy)
1109 EDFAD= 2.377498-315 (DFA distance energy)
1110 EDFAT= 6.953299-310 (DFA torsion energy)
1111 EDFAN= 1.976263-323 (DFA NCa energy)
1112 EDFAB= 8.487983-314 (DFA Beta energy)
1113 ETOT= -8.763982E+01 (total)
1114 RMS deviation from the reference structure: 4.183
1115 % of native contacts: 58.333
1116 % of nonnative contacts: 68.182
1117 contact order: 0.424
1118 TM-score with the reference structure: 0.25
1121 Virtual-chain energies:
1123 EVDW= -4.966956E+01 WEIGHT= 1.352790D+00 (SC-SC)
1124 EVDW2= 4.446557E+01 WEIGHT= 1.593040D+00 (SC-p)
1125 EES= -8.230978E+01 WEIGHT= 7.153400D-01 (p-p)
1126 EVDWPP= -3.844978E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1127 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1128 EBE= -3.848814E+01 WEIGHT= 1.138730D+00 (bending)
1129 ESC= 3.563969E+01 WEIGHT= 1.625800D-01 (SC local)
1130 ETORS= 7.357367E+00 WEIGHT= 1.985990D+00 (torsional)
1131 ETORSD= 2.882118E+00 WEIGHT= 1.570690D+00 (double torsional)
1132 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1133 ECORR4= -5.997472E+01 WEIGHT= 4.288700D-01 (multi-body)
1134 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1135 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1136 EELLO= -4.754707E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1137 ETURN3= 1.339746E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1138 ETURN4= -6.125048E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1139 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1140 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1141 EDIHC= 0.000000E+00 (dihedral angle constraints)
1142 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1143 UCONST= 0.000000E+00 (Constraint energy)
1144 EDFAD= 2.377498-315 (DFA distance energy)
1145 EDFAT= 6.953299-310 (DFA torsion energy)
1146 EDFAN= 1.976263-323 (DFA NCa energy)
1147 EDFAB= 8.487983-314 (DFA Beta energy)
1148 ETOT= -8.643936E+01 (total)
1149 RMS deviation from the reference structure: 3.024
1150 % of native contacts: 41.667
1151 % of nonnative contacts: 77.273
1152 contact order: 0.343
1153 TM-score with the reference structure: 0.26
1156 Virtual-chain energies:
1158 EVDW= -5.566609E+01 WEIGHT= 1.352790D+00 (SC-SC)
1159 EVDW2= 5.517011E+01 WEIGHT= 1.593040D+00 (SC-p)
1160 EES= -1.058308E+02 WEIGHT= 7.153400D-01 (p-p)
1161 EVDWPP= -1.989649E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1162 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1163 EBE= -3.773481E+01 WEIGHT= 1.138730D+00 (bending)
1164 ESC= 4.458029E+01 WEIGHT= 1.625800D-01 (SC local)
1165 ETORS= 1.060386E+01 WEIGHT= 1.985990D+00 (torsional)
1166 ETORSD= 2.037645E+00 WEIGHT= 1.570690D+00 (double torsional)
1167 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1168 ECORR4= -7.366676E+01 WEIGHT= 4.288700D-01 (multi-body)
1169 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1170 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1171 EELLO= 1.338445E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1172 ETURN3= 1.580476E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1173 ETURN4= -4.287924E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1174 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1175 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1176 EDIHC= 0.000000E+00 (dihedral angle constraints)
1177 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1178 UCONST= 0.000000E+00 (Constraint energy)
1179 EDFAD= 2.377498-315 (DFA distance energy)
1180 EDFAT= 6.953299-310 (DFA torsion energy)
1181 EDFAN= 1.976263-323 (DFA NCa energy)
1182 EDFAB= 8.487983-314 (DFA Beta energy)
1183 ETOT= -8.439858E+01 (total)
1184 RMS deviation from the reference structure: 3.767
1185 % of native contacts: 25.000
1186 % of nonnative contacts: 86.364
1187 contact order: 0.353
1188 TM-score with the reference structure: 0.27
1191 Virtual-chain energies:
1193 EVDW= -5.277341E+01 WEIGHT= 1.352790D+00 (SC-SC)
1194 EVDW2= 3.881431E+01 WEIGHT= 1.593040D+00 (SC-p)
1195 EES= -7.118833E+01 WEIGHT= 7.153400D-01 (p-p)
1196 EVDWPP= -2.463275E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1197 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1198 EBE= -3.740733E+01 WEIGHT= 1.138730D+00 (bending)
1199 ESC= 4.577008E+01 WEIGHT= 1.625800D-01 (SC local)
1200 ETORS= 7.127614E+00 WEIGHT= 1.985990D+00 (torsional)
1201 ETORSD= -2.755245E+00 WEIGHT= 1.570690D+00 (double torsional)
1202 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1203 ECORR4= -5.370897E+01 WEIGHT= 4.288700D-01 (multi-body)
1204 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1205 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1206 EELLO= 5.274222E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1207 ETURN3= 1.502933E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1208 ETURN4= 8.125467E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
1209 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1210 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1211 EDIHC= 0.000000E+00 (dihedral angle constraints)
1212 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1213 UCONST= 0.000000E+00 (Constraint energy)
1214 EDFAD= 2.377498-315 (DFA distance energy)
1215 EDFAT= 6.953299-310 (DFA torsion energy)
1216 EDFAN= 1.976263-323 (DFA NCa energy)
1217 EDFAB= 8.487983-314 (DFA Beta energy)
1218 ETOT= -8.614926E+01 (total)
1219 RMS deviation from the reference structure: 4.957
1220 % of native contacts: 33.333
1221 % of nonnative contacts: 78.947
1222 contact order: 0.411
1223 TM-score with the reference structure: 0.29
1226 Virtual-chain energies:
1228 EVDW= -5.462286E+01 WEIGHT= 1.352790D+00 (SC-SC)
1229 EVDW2= 4.340363E+01 WEIGHT= 1.593040D+00 (SC-p)
1230 EES= -7.762560E+01 WEIGHT= 7.153400D-01 (p-p)
1231 EVDWPP= -3.731293E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1232 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1233 EBE= -3.515043E+01 WEIGHT= 1.138730D+00 (bending)
1234 ESC= 3.535061E+01 WEIGHT= 1.625800D-01 (SC local)
1235 ETORS= 9.107621E+00 WEIGHT= 1.985990D+00 (torsional)
1236 ETORSD= -2.006551E+00 WEIGHT= 1.570690D+00 (double torsional)
1237 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1238 ECORR4= -5.841278E+01 WEIGHT= 4.288700D-01 (multi-body)
1239 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1240 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1241 EELLO= -3.455033E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1242 ETURN3= 1.412619E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1243 ETURN4= -1.607740E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1244 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1245 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1246 EDIHC= 0.000000E+00 (dihedral angle constraints)
1247 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1248 UCONST= 0.000000E+00 (Constraint energy)
1249 EDFAD= 2.377498-315 (DFA distance energy)
1250 EDFAT= 6.953299-310 (DFA torsion energy)
1251 EDFAN= 1.976263-323 (DFA NCa energy)
1252 EDFAB= 8.487983-314 (DFA Beta energy)
1253 ETOT= -8.574270E+01 (total)
1254 RMS deviation from the reference structure: 3.699
1255 % of native contacts: 50.000
1256 % of nonnative contacts: 72.727
1257 contact order: 0.370
1258 TM-score with the reference structure: 0.21
1261 Virtual-chain energies:
1263 EVDW= -5.148081E+01 WEIGHT= 1.352790D+00 (SC-SC)
1264 EVDW2= 4.919636E+01 WEIGHT= 1.593040D+00 (SC-p)
1265 EES= -1.012524E+02 WEIGHT= 7.153400D-01 (p-p)
1266 EVDWPP= -1.945170E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1267 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1268 EBE= -4.129861E+01 WEIGHT= 1.138730D+00 (bending)
1269 ESC= 4.837669E+01 WEIGHT= 1.625800D-01 (SC local)
1270 ETORS= 9.795954E+00 WEIGHT= 1.985990D+00 (torsional)
1271 ETORSD= -1.690448E+00 WEIGHT= 1.570690D+00 (double torsional)
1272 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1273 ECORR4= -7.350375E+01 WEIGHT= 4.288700D-01 (multi-body)
1274 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1275 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1276 EELLO= -1.266630E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1277 ETURN3= 2.042622E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1278 ETURN4= -1.045599E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1279 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1280 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1281 EDIHC= 0.000000E+00 (dihedral angle constraints)
1282 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1283 UCONST= 0.000000E+00 (Constraint energy)
1284 EDFAD= 2.377498-315 (DFA distance energy)
1285 EDFAT= 6.953299-310 (DFA torsion energy)
1286 EDFAN= 1.976263-323 (DFA NCa energy)
1287 EDFAB= 8.487983-314 (DFA Beta energy)
1288 ETOT= -8.623175E+01 (total)
1289 RMS deviation from the reference structure: 4.179
1290 % of native contacts: 41.667
1291 % of nonnative contacts: 76.190
1292 contact order: 0.301
1293 TM-score with the reference structure: 0.29
1296 Virtual-chain energies:
1298 EVDW= -4.757415E+01 WEIGHT= 1.352790D+00 (SC-SC)
1299 EVDW2= 3.776181E+01 WEIGHT= 1.593040D+00 (SC-p)
1300 EES= -7.490499E+01 WEIGHT= 7.153400D-01 (p-p)
1301 EVDWPP= -2.951176E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1302 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1303 EBE= -4.045494E+01 WEIGHT= 1.138730D+00 (bending)
1304 ESC= 3.455107E+01 WEIGHT= 1.625800D-01 (SC local)
1305 ETORS= 8.451630E+00 WEIGHT= 1.985990D+00 (torsional)
1306 ETORSD= -1.248292E+00 WEIGHT= 1.570690D+00 (double torsional)
1307 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1308 ECORR4= -5.418072E+01 WEIGHT= 4.288700D-01 (multi-body)
1309 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1310 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1311 EELLO= 1.547778E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1312 ETURN3= 1.704560E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1313 ETURN4= -4.132522E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1314 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1315 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1316 EDIHC= 0.000000E+00 (dihedral angle constraints)
1317 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1318 UCONST= 0.000000E+00 (Constraint energy)
1319 EDFAD= 2.377498-315 (DFA distance energy)
1320 EDFAT= 6.953299-310 (DFA torsion energy)
1321 EDFAN= 1.976263-323 (DFA NCa energy)
1322 EDFAB= 8.487983-314 (DFA Beta energy)
1323 ETOT= -8.373141E+01 (total)
1324 RMS deviation from the reference structure: 3.878
1325 % of native contacts: 33.333
1326 % of nonnative contacts: 75.000
1327 contact order: 0.298
1328 TM-score with the reference structure: 0.32
1331 Virtual-chain energies:
1333 EVDW= -5.386187E+01 WEIGHT= 1.352790D+00 (SC-SC)
1334 EVDW2= 4.358028E+01 WEIGHT= 1.593040D+00 (SC-p)
1335 EES= -8.528966E+01 WEIGHT= 7.153400D-01 (p-p)
1336 EVDWPP= -1.630661E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1337 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1338 EBE= -3.952087E+01 WEIGHT= 1.138730D+00 (bending)
1339 ESC= 4.102813E+01 WEIGHT= 1.625800D-01 (SC local)
1340 ETORS= 1.013799E+01 WEIGHT= 1.985990D+00 (torsional)
1341 ETORSD= -8.097627E-01 WEIGHT= 1.570690D+00 (double torsional)
1342 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1343 ECORR4= -6.343325E+01 WEIGHT= 4.288700D-01 (multi-body)
1344 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1345 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1346 EELLO= -3.398533E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1347 ETURN3= 1.752341E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1348 ETURN4= -3.399863E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1349 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1350 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1351 EDIHC= 0.000000E+00 (dihedral angle constraints)
1352 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1353 UCONST= 0.000000E+00 (Constraint energy)
1354 EDFAD= 2.377498-315 (DFA distance energy)
1355 EDFAT= 6.953299-310 (DFA torsion energy)
1356 EDFAN= 1.976263-323 (DFA NCa energy)
1357 EDFAB= 8.487983-314 (DFA Beta energy)
1358 ETOT= -8.621067E+01 (total)
1359 RMS deviation from the reference structure: 4.884
1360 % of native contacts: 33.333
1361 % of nonnative contacts: 80.000
1362 contact order: 0.307
1363 TM-score with the reference structure: 0.30
1366 Virtual-chain energies:
1368 EVDW= -5.579406E+01 WEIGHT= 1.352790D+00 (SC-SC)
1369 EVDW2= 4.655968E+01 WEIGHT= 1.593040D+00 (SC-p)
1370 EES= -9.320606E+01 WEIGHT= 7.153400D-01 (p-p)
1371 EVDWPP= -3.039560E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1372 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1373 EBE= -3.966985E+01 WEIGHT= 1.138730D+00 (bending)
1374 ESC= 5.203874E+01 WEIGHT= 1.625800D-01 (SC local)
1375 ETORS= 1.061112E+01 WEIGHT= 1.985990D+00 (torsional)
1376 ETORSD= 9.060212E-01 WEIGHT= 1.570690D+00 (double torsional)
1377 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1378 ECORR4= -6.987129E+01 WEIGHT= 4.288700D-01 (multi-body)
1379 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1380 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1381 EELLO= 3.920821E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1382 ETURN3= 1.865444E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1383 ETURN4= -3.243335E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1384 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1385 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1386 EDIHC= 0.000000E+00 (dihedral angle constraints)
1387 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1388 UCONST= 0.000000E+00 (Constraint energy)
1389 EDFAD= 2.377498-315 (DFA distance energy)
1390 EDFAT= 6.953299-310 (DFA torsion energy)
1391 EDFAN= 1.976263-323 (DFA NCa energy)
1392 EDFAB= 8.487983-314 (DFA Beta energy)
1393 ETOT= -8.622940E+01 (total)
1394 RMS deviation from the reference structure: 2.901
1395 % of native contacts: 41.667
1396 % of nonnative contacts: 76.190
1397 contact order: 0.364
1398 TM-score with the reference structure: 0.28
1401 Virtual-chain energies:
1403 EVDW= -5.363846E+01 WEIGHT= 1.352790D+00 (SC-SC)
1404 EVDW2= 4.296679E+01 WEIGHT= 1.593040D+00 (SC-p)
1405 EES= -8.374070E+01 WEIGHT= 7.153400D-01 (p-p)
1406 EVDWPP= -2.637794E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1407 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1408 EBE= -3.852895E+01 WEIGHT= 1.138730D+00 (bending)
1409 ESC= 3.808726E+01 WEIGHT= 1.625800D-01 (SC local)
1410 ETORS= 9.765061E+00 WEIGHT= 1.985990D+00 (torsional)
1411 ETORSD= -2.493919E-01 WEIGHT= 1.570690D+00 (double torsional)
1412 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1413 ECORR4= -6.389055E+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= -5.865779E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1417 ETURN3= 1.682478E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1418 ETURN4= 4.517969E-01 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= 2.377498-315 (DFA distance energy)
1425 EDFAT= 6.953299-310 (DFA torsion energy)
1426 EDFAN= 1.976263-323 (DFA NCa energy)
1427 EDFAB= 8.487983-314 (DFA Beta energy)
1428 ETOT= -8.535154E+01 (total)
1429 RMS deviation from the reference structure: 2.998
1430 % of native contacts: 50.000
1431 % of nonnative contacts: 73.913
1432 contact order: 0.342
1433 TM-score with the reference structure: 0.35
1436 Virtual-chain energies:
1438 EVDW= -5.175158E+01 WEIGHT= 1.352790D+00 (SC-SC)
1439 EVDW2= 4.468054E+01 WEIGHT= 1.593040D+00 (SC-p)
1440 EES= -8.926770E+01 WEIGHT= 7.153400D-01 (p-p)
1441 EVDWPP= -1.161746E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1442 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1443 EBE= -4.025623E+01 WEIGHT= 1.138730D+00 (bending)
1444 ESC= 3.330235E+01 WEIGHT= 1.625800D-01 (SC local)
1445 ETORS= 1.033048E+01 WEIGHT= 1.985990D+00 (torsional)
1446 ETORSD= -1.314637E+00 WEIGHT= 1.570690D+00 (double torsional)
1447 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1448 ECORR4= -6.617084E+01 WEIGHT= 4.288700D-01 (multi-body)
1449 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1450 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1451 EELLO= 8.525965E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1452 ETURN3= 1.768286E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1453 ETURN4= -2.785641E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1454 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1455 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1456 EDIHC= 0.000000E+00 (dihedral angle constraints)
1457 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1458 UCONST= 0.000000E+00 (Constraint energy)
1459 EDFAD= 2.377498-315 (DFA distance energy)
1460 EDFAT= 6.953299-310 (DFA torsion energy)
1461 EDFAN= 1.976263-323 (DFA NCa energy)
1462 EDFAB= 8.487983-314 (DFA Beta energy)
1463 ETOT= -8.623627E+01 (total)
1464 RMS deviation from the reference structure: 4.731
1465 % of native contacts: 25.000
1466 % of nonnative contacts: 83.333
1467 contact order: 0.402
1468 TM-score with the reference structure: 0.27
1471 Virtual-chain energies:
1473 EVDW= -5.201704E+01 WEIGHT= 1.352790D+00 (SC-SC)
1474 EVDW2= 4.263827E+01 WEIGHT= 1.593040D+00 (SC-p)
1475 EES= -8.824097E+01 WEIGHT= 7.153400D-01 (p-p)
1476 EVDWPP= -1.501478E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1477 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1478 EBE= -4.052596E+01 WEIGHT= 1.138730D+00 (bending)
1479 ESC= 3.928588E+01 WEIGHT= 1.625800D-01 (SC local)
1480 ETORS= 7.712220E+00 WEIGHT= 1.985990D+00 (torsional)
1481 ETORSD= -2.113755E-01 WEIGHT= 1.570690D+00 (double torsional)
1482 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1483 ECORR4= -6.152853E+01 WEIGHT= 4.288700D-01 (multi-body)
1484 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1485 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1486 EELLO= 1.512091E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1487 ETURN3= 1.890564E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1488 ETURN4= -2.896462E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1489 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1490 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1491 EDIHC= 0.000000E+00 (dihedral angle constraints)
1492 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1493 UCONST= 0.000000E+00 (Constraint energy)
1494 EDFAD= 2.377498-315 (DFA distance energy)
1495 EDFAT= 6.953299-310 (DFA torsion energy)
1496 EDFAN= 1.976263-323 (DFA NCa energy)
1497 EDFAB= 8.487983-314 (DFA Beta energy)
1498 ETOT= -8.821554E+01 (total)
1499 RMS deviation from the reference structure: 4.369
1500 % of native contacts: 8.333
1501 % of nonnative contacts: 93.333
1502 contact order: 0.333
1503 TM-score with the reference structure: 0.30
1506 Virtual-chain energies:
1508 EVDW= -5.106615E+01 WEIGHT= 1.352790D+00 (SC-SC)
1509 EVDW2= 3.947288E+01 WEIGHT= 1.593040D+00 (SC-p)
1510 EES= -7.446870E+01 WEIGHT= 7.153400D-01 (p-p)
1511 EVDWPP= -2.826730E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1512 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1513 EBE= -4.011417E+01 WEIGHT= 1.138730D+00 (bending)
1514 ESC= 3.411642E+01 WEIGHT= 1.625800D-01 (SC local)
1515 ETORS= 8.269171E+00 WEIGHT= 1.985990D+00 (torsional)
1516 ETORSD= -2.987240E+00 WEIGHT= 1.570690D+00 (double torsional)
1517 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1518 ECORR4= -5.432380E+01 WEIGHT= 4.288700D-01 (multi-body)
1519 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1520 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1521 EELLO= -4.296774E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1522 ETURN3= 1.598203E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1523 ETURN4= 1.192973E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1524 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1525 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1526 EDIHC= 0.000000E+00 (dihedral angle constraints)
1527 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1528 UCONST= 0.000000E+00 (Constraint energy)
1529 EDFAD= 2.377498-315 (DFA distance energy)
1530 EDFAT= 6.953299-310 (DFA torsion energy)
1531 EDFAN= 1.976263-323 (DFA NCa energy)
1532 EDFAB= 8.487983-314 (DFA Beta energy)
1533 ETOT= -8.669815E+01 (total)
1534 RMS deviation from the reference structure: 4.583
1535 % of native contacts: 33.333
1536 % of nonnative contacts: 77.778
1537 contact order: 0.371
1538 TM-score with the reference structure: 0.34
1541 Virtual-chain energies:
1543 EVDW= -5.287391E+01 WEIGHT= 1.352790D+00 (SC-SC)
1544 EVDW2= 4.673027E+01 WEIGHT= 1.593040D+00 (SC-p)
1545 EES= -8.718783E+01 WEIGHT= 7.153400D-01 (p-p)
1546 EVDWPP= -1.712908E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1547 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1548 EBE= -3.720145E+01 WEIGHT= 1.138730D+00 (bending)
1549 ESC= 4.168522E+01 WEIGHT= 1.625800D-01 (SC local)
1550 ETORS= 5.727933E+00 WEIGHT= 1.985990D+00 (torsional)
1551 ETORSD= 3.034958E-01 WEIGHT= 1.570690D+00 (double torsional)
1552 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1553 ECORR4= -6.291848E+01 WEIGHT= 4.288700D-01 (multi-body)
1554 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1555 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1556 EELLO= -4.820944E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1557 ETURN3= 1.688590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1558 ETURN4= -4.252842E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1559 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1560 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1561 EDIHC= 0.000000E+00 (dihedral angle constraints)
1562 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1563 UCONST= 0.000000E+00 (Constraint energy)
1564 EDFAD= 2.377498-315 (DFA distance energy)
1565 EDFAT= 6.953299-310 (DFA torsion energy)
1566 EDFAN= 1.976263-323 (DFA NCa energy)
1567 EDFAB= 8.487983-314 (DFA Beta energy)
1568 ETOT= -8.721708E+01 (total)
1569 RMS deviation from the reference structure: 6.030
1570 % of native contacts: 33.333
1571 % of nonnative contacts: 81.818
1572 contact order: 0.364
1573 TM-score with the reference structure: 0.27
1576 Virtual-chain energies:
1578 EVDW= -5.120310E+01 WEIGHT= 1.352790D+00 (SC-SC)
1579 EVDW2= 5.194509E+01 WEIGHT= 1.593040D+00 (SC-p)
1580 EES= -1.136501E+02 WEIGHT= 7.153400D-01 (p-p)
1581 EVDWPP= -1.441423E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1582 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1583 EBE= -4.117798E+01 WEIGHT= 1.138730D+00 (bending)
1584 ESC= 4.161658E+01 WEIGHT= 1.625800D-01 (SC local)
1585 ETORS= 1.466327E+01 WEIGHT= 1.985990D+00 (torsional)
1586 ETORSD= -5.137925E-01 WEIGHT= 1.570690D+00 (double torsional)
1587 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1588 ECORR4= -8.379194E+01 WEIGHT= 4.288700D-01 (multi-body)
1589 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1590 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1591 EELLO= -3.118002E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
1592 ETURN3= 2.040634E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1593 ETURN4= -1.352280E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1594 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1595 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1596 EDIHC= 0.000000E+00 (dihedral angle constraints)
1597 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1598 UCONST= 0.000000E+00 (Constraint energy)
1599 EDFAD= 2.377498-315 (DFA distance energy)
1600 EDFAT= 6.953299-310 (DFA torsion energy)
1601 EDFAN= 1.976263-323 (DFA NCa energy)
1602 EDFAB= 8.487983-314 (DFA Beta energy)
1603 ETOT= -8.371590E+01 (total)
1604 RMS deviation from the reference structure: 2.343
1605 % of native contacts: 50.000
1606 % of nonnative contacts: 68.421
1607 contact order: 0.292
1608 TM-score with the reference structure: 0.32
1611 Virtual-chain energies:
1613 EVDW= -5.514521E+01 WEIGHT= 1.352790D+00 (SC-SC)
1614 EVDW2= 5.303908E+01 WEIGHT= 1.593040D+00 (SC-p)
1615 EES= -1.042352E+02 WEIGHT= 7.153400D-01 (p-p)
1616 EVDWPP= -2.387455E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1617 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1618 EBE= -3.684417E+01 WEIGHT= 1.138730D+00 (bending)
1619 ESC= 3.700317E+01 WEIGHT= 1.625800D-01 (SC local)
1620 ETORS= 9.499294E+00 WEIGHT= 1.985990D+00 (torsional)
1621 ETORSD= -3.122057E-01 WEIGHT= 1.570690D+00 (double torsional)
1622 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1623 ECORR4= -7.881465E+01 WEIGHT= 4.288700D-01 (multi-body)
1624 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1625 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1626 EELLO= -5.862813E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1627 ETURN3= 1.834516E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1628 ETURN4= -2.414435E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1629 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1630 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1631 EDIHC= 0.000000E+00 (dihedral angle constraints)
1632 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1633 UCONST= 0.000000E+00 (Constraint energy)
1634 EDFAD= 2.377498-315 (DFA distance energy)
1635 EDFAT= 6.953299-310 (DFA torsion energy)
1636 EDFAN= 1.976263-323 (DFA NCa energy)
1637 EDFAB= 8.487983-314 (DFA Beta energy)
1638 ETOT= -9.033751E+01 (total)
1639 RMS deviation from the reference structure: 2.466
1640 % of native contacts: 50.000
1641 % of nonnative contacts: 73.913
1642 contact order: 0.356
1643 TM-score with the reference structure: 0.29
1646 Virtual-chain energies:
1648 EVDW= -5.493934E+01 WEIGHT= 1.352790D+00 (SC-SC)
1649 EVDW2= 5.334434E+01 WEIGHT= 1.593040D+00 (SC-p)
1650 EES= -1.040855E+02 WEIGHT= 7.153400D-01 (p-p)
1651 EVDWPP= -2.753714E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1652 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1653 EBE= -3.938478E+01 WEIGHT= 1.138730D+00 (bending)
1654 ESC= 4.022217E+01 WEIGHT= 1.625800D-01 (SC local)
1655 ETORS= 1.009966E+01 WEIGHT= 1.985990D+00 (torsional)
1656 ETORSD= 1.641297E+00 WEIGHT= 1.570690D+00 (double torsional)
1657 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1658 ECORR4= -7.797576E+01 WEIGHT= 4.288700D-01 (multi-body)
1659 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1660 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1661 EELLO= -5.804942E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1662 ETURN3= 1.895955E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1663 ETURN4= -3.615356E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1664 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1665 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1666 EDIHC= 0.000000E+00 (dihedral angle constraints)
1667 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1668 UCONST= 0.000000E+00 (Constraint energy)
1669 EDFAD= 2.377498-315 (DFA distance energy)
1670 EDFAT= 6.953299-310 (DFA torsion energy)
1671 EDFAN= 1.976263-323 (DFA NCa energy)
1672 EDFAB= 8.487983-314 (DFA Beta energy)
1673 ETOT= -8.738089E+01 (total)
1674 RMS deviation from the reference structure: 1.785
1675 % of native contacts: 50.000
1676 % of nonnative contacts: 72.727
1677 contact order: 0.316
1678 TM-score with the reference structure: 0.31
1681 Virtual-chain energies:
1683 EVDW= -5.435560E+01 WEIGHT= 1.352790D+00 (SC-SC)
1684 EVDW2= 5.158760E+01 WEIGHT= 1.593040D+00 (SC-p)
1685 EES= -9.701449E+01 WEIGHT= 7.153400D-01 (p-p)
1686 EVDWPP= -3.455230E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1687 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1688 EBE= -3.759778E+01 WEIGHT= 1.138730D+00 (bending)
1689 ESC= 5.178415E+01 WEIGHT= 1.625800D-01 (SC local)
1690 ETORS= 1.130354E+01 WEIGHT= 1.985990D+00 (torsional)
1691 ETORSD= -2.789308E+00 WEIGHT= 1.570690D+00 (double torsional)
1692 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1693 ECORR4= -7.415345E+01 WEIGHT= 4.288700D-01 (multi-body)
1694 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1695 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1696 EELLO= -5.109616E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1697 ETURN3= 1.630246E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1698 ETURN4= 7.205881E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1699 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1700 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1701 EDIHC= 0.000000E+00 (dihedral angle constraints)
1702 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1703 UCONST= 0.000000E+00 (Constraint energy)
1704 EDFAD= 2.377498-315 (DFA distance energy)
1705 EDFAT= 6.953299-310 (DFA torsion energy)
1706 EDFAN= 1.976263-323 (DFA NCa energy)
1707 EDFAB= 8.487983-314 (DFA Beta energy)
1708 ETOT= -8.564345E+01 (total)
1709 RMS deviation from the reference structure: 2.997
1710 % of native contacts: 58.333
1711 % of nonnative contacts: 69.565
1712 contact order: 0.338
1713 TM-score with the reference structure: 0.29
1716 Virtual-chain energies:
1718 EVDW= -5.140403E+01 WEIGHT= 1.352790D+00 (SC-SC)
1719 EVDW2= 4.675019E+01 WEIGHT= 1.593040D+00 (SC-p)
1720 EES= -9.713048E+01 WEIGHT= 7.153400D-01 (p-p)
1721 EVDWPP= -2.173284E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1722 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1723 EBE= -3.858767E+01 WEIGHT= 1.138730D+00 (bending)
1724 ESC= 3.809551E+01 WEIGHT= 1.625800D-01 (SC local)
1725 ETORS= 1.223510E+01 WEIGHT= 1.985990D+00 (torsional)
1726 ETORSD= -1.163868E+00 WEIGHT= 1.570690D+00 (double torsional)
1727 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1728 ECORR4= -7.163815E+01 WEIGHT= 4.288700D-01 (multi-body)
1729 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1730 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1731 EELLO= -1.643986E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1732 ETURN3= 1.696691E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1733 ETURN4= -3.347250E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1734 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1735 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1736 EDIHC= 0.000000E+00 (dihedral angle constraints)
1737 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1738 UCONST= 0.000000E+00 (Constraint energy)
1739 EDFAD= 2.377498-315 (DFA distance energy)
1740 EDFAT= 6.953299-310 (DFA torsion energy)
1741 EDFAN= 1.976263-323 (DFA NCa energy)
1742 EDFAB= 8.487983-314 (DFA Beta energy)
1743 ETOT= -8.687021E+01 (total)
1744 RMS deviation from the reference structure: 3.524
1745 % of native contacts: 16.667
1746 % of nonnative contacts: 88.889
1747 contact order: 0.323
1748 TM-score with the reference structure: 0.26
1751 Virtual-chain energies:
1753 EVDW= -5.189721E+01 WEIGHT= 1.352790D+00 (SC-SC)
1754 EVDW2= 5.028576E+01 WEIGHT= 1.593040D+00 (SC-p)
1755 EES= -1.027509E+02 WEIGHT= 7.153400D-01 (p-p)
1756 EVDWPP= -2.455926E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1757 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1758 EBE= -3.814060E+01 WEIGHT= 1.138730D+00 (bending)
1759 ESC= 4.212917E+01 WEIGHT= 1.625800D-01 (SC local)
1760 ETORS= 9.723785E+00 WEIGHT= 1.985990D+00 (torsional)
1761 ETORSD= 7.231567E-01 WEIGHT= 1.570690D+00 (double torsional)
1762 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1763 ECORR4= -7.718280E+01 WEIGHT= 4.288700D-01 (multi-body)
1764 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1765 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1766 EELLO= -3.711008E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1767 ETURN3= 1.815614E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1768 ETURN4= -2.950019E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1769 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1770 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1771 EDIHC= 0.000000E+00 (dihedral angle constraints)
1772 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1773 UCONST= 0.000000E+00 (Constraint energy)
1774 EDFAD= 2.377498-315 (DFA distance energy)
1775 EDFAT= 6.953299-310 (DFA torsion energy)
1776 EDFAN= 1.976263-323 (DFA NCa energy)
1777 EDFAB= 8.487983-314 (DFA Beta energy)
1778 ETOT= -8.754542E+01 (total)
1779 RMS deviation from the reference structure: 3.198
1780 % of native contacts: 50.000
1781 % of nonnative contacts: 70.000
1782 contact order: 0.327
1783 TM-score with the reference structure: 0.29
1786 Virtual-chain energies:
1788 EVDW= -5.021896E+01 WEIGHT= 1.352790D+00 (SC-SC)
1789 EVDW2= 5.322490E+01 WEIGHT= 1.593040D+00 (SC-p)
1790 EES= -1.169028E+02 WEIGHT= 7.153400D-01 (p-p)
1791 EVDWPP= -1.021001E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1792 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1793 EBE= -4.196051E+01 WEIGHT= 1.138730D+00 (bending)
1794 ESC= 3.899833E+01 WEIGHT= 1.625800D-01 (SC local)
1795 ETORS= 1.364607E+01 WEIGHT= 1.985990D+00 (torsional)
1796 ETORSD= -4.347282E-01 WEIGHT= 1.570690D+00 (double torsional)
1797 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1798 ECORR4= -8.405309E+01 WEIGHT= 4.288700D-01 (multi-body)
1799 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1800 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1801 EELLO= -1.593230E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1802 ETURN3= 2.015377E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1803 ETURN4= -6.595314E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1804 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1805 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1806 EDIHC= 0.000000E+00 (dihedral angle constraints)
1807 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1808 UCONST= 0.000000E+00 (Constraint energy)
1809 EDFAD= 2.377498-315 (DFA distance energy)
1810 EDFAT= 6.953299-310 (DFA torsion energy)
1811 EDFAN= 1.976263-323 (DFA NCa energy)
1812 EDFAB= 8.487983-314 (DFA Beta energy)
1813 ETOT= -8.569208E+01 (total)
1814 RMS deviation from the reference structure: 3.041
1815 % of native contacts: 41.667
1816 % of nonnative contacts: 72.222
1817 contact order: 0.293
1818 TM-score with the reference structure: 0.30
1821 Virtual-chain energies:
1823 EVDW= -5.154762E+01 WEIGHT= 1.352790D+00 (SC-SC)
1824 EVDW2= 4.191999E+01 WEIGHT= 1.593040D+00 (SC-p)
1825 EES= -8.798879E+01 WEIGHT= 7.153400D-01 (p-p)
1826 EVDWPP= -1.459411E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1827 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1828 EBE= -3.902122E+01 WEIGHT= 1.138730D+00 (bending)
1829 ESC= 3.864178E+01 WEIGHT= 1.625800D-01 (SC local)
1830 ETORS= 7.698013E+00 WEIGHT= 1.985990D+00 (torsional)
1831 ETORSD= -1.823079E-01 WEIGHT= 1.570690D+00 (double torsional)
1832 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1833 ECORR4= -6.142350E+01 WEIGHT= 4.288700D-01 (multi-body)
1834 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1835 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1836 EELLO= 1.636787E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1837 ETURN3= 1.890531E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1838 ETURN4= -2.905668E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1839 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1840 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1841 EDIHC= 0.000000E+00 (dihedral angle constraints)
1842 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1843 UCONST= 0.000000E+00 (Constraint energy)
1844 EDFAD= 2.377498-315 (DFA distance energy)
1845 EDFAT= 6.953299-310 (DFA torsion energy)
1846 EDFAN= 1.976263-323 (DFA NCa energy)
1847 EDFAB= 8.487983-314 (DFA Beta energy)
1848 ETOT= -8.681194E+01 (total)
1849 RMS deviation from the reference structure: 4.358
1850 % of native contacts: 8.333
1851 % of nonnative contacts: 93.333
1852 contact order: 0.333
1853 TM-score with the reference structure: 0.30
1856 Virtual-chain energies:
1858 EVDW= -4.992305E+01 WEIGHT= 1.352790D+00 (SC-SC)
1859 EVDW2= 5.363913E+01 WEIGHT= 1.593040D+00 (SC-p)
1860 EES= -1.166606E+02 WEIGHT= 7.153400D-01 (p-p)
1861 EVDWPP= -1.666037E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1862 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1863 EBE= -4.367353E+01 WEIGHT= 1.138730D+00 (bending)
1864 ESC= 3.147513E+01 WEIGHT= 1.625800D-01 (SC local)
1865 ETORS= 1.198322E+01 WEIGHT= 1.985990D+00 (torsional)
1866 ETORSD= 1.530666E+00 WEIGHT= 1.570690D+00 (double torsional)
1867 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1868 ECORR4= -8.173212E+01 WEIGHT= 4.288700D-01 (multi-body)
1869 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1870 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1871 EELLO= -4.102450E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1872 ETURN3= 2.027820E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1873 ETURN4= -6.930745E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
1874 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1875 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1876 EDIHC= 0.000000E+00 (dihedral angle constraints)
1877 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1878 UCONST= 0.000000E+00 (Constraint energy)
1879 EDFAD= 2.377498-315 (DFA distance energy)
1880 EDFAT= 6.953299-310 (DFA torsion energy)
1881 EDFAN= 1.976263-323 (DFA NCa energy)
1882 EDFAB= 8.487983-314 (DFA Beta energy)
1883 ETOT= -8.780053E+01 (total)
1884 RMS deviation from the reference structure: 3.356
1885 % of native contacts: 25.000
1886 % of nonnative contacts: 84.211
1887 contact order: 0.306
1888 TM-score with the reference structure: 0.27
1891 Virtual-chain energies:
1893 EVDW= -5.307911E+01 WEIGHT= 1.352790D+00 (SC-SC)
1894 EVDW2= 4.607974E+01 WEIGHT= 1.593040D+00 (SC-p)
1895 EES= -8.970210E+01 WEIGHT= 7.153400D-01 (p-p)
1896 EVDWPP= -2.999372E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1897 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1898 EBE= -3.575311E+01 WEIGHT= 1.138730D+00 (bending)
1899 ESC= 4.353290E+01 WEIGHT= 1.625800D-01 (SC local)
1900 ETORS= 7.550872E+00 WEIGHT= 1.985990D+00 (torsional)
1901 ETORSD= 3.550586E-01 WEIGHT= 1.570690D+00 (double torsional)
1902 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1903 ECORR4= -6.830001E+01 WEIGHT= 4.288700D-01 (multi-body)
1904 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1905 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1906 EELLO= -4.628656E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1907 ETURN3= 1.618282E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1908 ETURN4= -1.376641E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1909 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1910 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1911 EDIHC= 0.000000E+00 (dihedral angle constraints)
1912 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1913 UCONST= 0.000000E+00 (Constraint energy)
1914 EDFAD= 2.377498-315 (DFA distance energy)
1915 EDFAT= 6.953299-310 (DFA torsion energy)
1916 EDFAN= 1.976263-323 (DFA NCa energy)
1917 EDFAB= 8.487983-314 (DFA Beta energy)
1918 ETOT= -8.769988E+01 (total)
1919 RMS deviation from the reference structure: 3.343
1920 % of native contacts: 66.667
1921 % of nonnative contacts: 63.636
1922 contact order: 0.289
1923 TM-score with the reference structure: 0.31
1926 Virtual-chain energies:
1928 EVDW= -5.336219E+01 WEIGHT= 1.352790D+00 (SC-SC)
1929 EVDW2= 3.753434E+01 WEIGHT= 1.593040D+00 (SC-p)
1930 EES= -6.708992E+01 WEIGHT= 7.153400D-01 (p-p)
1931 EVDWPP= -2.305965E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1932 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1933 EBE= -3.616040E+01 WEIGHT= 1.138730D+00 (bending)
1934 ESC= 4.552006E+01 WEIGHT= 1.625800D-01 (SC local)
1935 ETORS= 7.996487E+00 WEIGHT= 1.985990D+00 (torsional)
1936 ETORSD= -1.079296E+00 WEIGHT= 1.570690D+00 (double torsional)
1937 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1938 ECORR4= -4.616065E+01 WEIGHT= 4.288700D-01 (multi-body)
1939 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1940 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1941 EELLO= -2.521817E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1942 ETURN3= 1.194346E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1943 ETURN4= -1.693277E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1944 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1945 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1946 EDIHC= 0.000000E+00 (dihedral angle constraints)
1947 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1948 UCONST= 0.000000E+00 (Constraint energy)
1949 EDFAD= 2.377498-315 (DFA distance energy)
1950 EDFAT= 6.953299-310 (DFA torsion energy)
1951 EDFAN= 1.976263-323 (DFA NCa energy)
1952 EDFAB= 8.487983-314 (DFA Beta energy)
1953 ETOT= -8.377046E+01 (total)
1954 RMS deviation from the reference structure: 4.936
1955 % of native contacts: 16.667
1956 % of nonnative contacts: 89.474
1957 contact order: 0.404
1958 TM-score with the reference structure: 0.25
1961 Virtual-chain energies:
1963 EVDW= -5.018247E+01 WEIGHT= 1.352790D+00 (SC-SC)
1964 EVDW2= 5.688369E+01 WEIGHT= 1.593040D+00 (SC-p)
1965 EES= -1.133676E+02 WEIGHT= 7.153400D-01 (p-p)
1966 EVDWPP= -2.448300E+01 WEIGHT= 1.137100D-01 (p-p VDW)
1967 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
1968 EBE= -3.750686E+01 WEIGHT= 1.138730D+00 (bending)
1969 ESC= 3.082604E+01 WEIGHT= 1.625800D-01 (SC local)
1970 ETORS= 9.188675E+00 WEIGHT= 1.985990D+00 (torsional)
1971 ETORSD= -2.040941E-01 WEIGHT= 1.570690D+00 (double torsional)
1972 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
1973 ECORR4= -7.981067E+01 WEIGHT= 4.288700D-01 (multi-body)
1974 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1975 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
1976 EELLO= -3.948028E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
1977 ETURN3= 1.956678E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
1978 ETURN4= -3.539272E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
1979 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
1980 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
1981 EDIHC= 0.000000E+00 (dihedral angle constraints)
1982 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
1983 UCONST= 0.000000E+00 (Constraint energy)
1984 EDFAD= 2.377498-315 (DFA distance energy)
1985 EDFAT= 6.953299-310 (DFA torsion energy)
1986 EDFAN= 1.976263-323 (DFA NCa energy)
1987 EDFAB= 8.487983-314 (DFA Beta energy)
1988 ETOT= -8.511121E+01 (total)
1989 RMS deviation from the reference structure: 4.210
1990 % of native contacts: 41.667
1991 % of nonnative contacts: 77.273
1992 contact order: 0.345
1993 TM-score with the reference structure: 0.28
1996 Virtual-chain energies:
1998 EVDW= -5.201469E+01 WEIGHT= 1.352790D+00 (SC-SC)
1999 EVDW2= 4.743843E+01 WEIGHT= 1.593040D+00 (SC-p)
2000 EES= -8.951844E+01 WEIGHT= 7.153400D-01 (p-p)
2001 EVDWPP= -2.956344E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2002 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2003 EBE= -4.210351E+01 WEIGHT= 1.138730D+00 (bending)
2004 ESC= 3.136985E+01 WEIGHT= 1.625800D-01 (SC local)
2005 ETORS= 9.460476E+00 WEIGHT= 1.985990D+00 (torsional)
2006 ETORSD= -1.146982E+00 WEIGHT= 1.570690D+00 (double torsional)
2007 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2008 ECORR4= -6.428977E+01 WEIGHT= 4.288700D-01 (multi-body)
2009 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2010 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2011 EELLO= -2.826327E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2012 ETURN3= 1.725981E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2013 ETURN4= 1.159525E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2014 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2015 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2016 EDIHC= 0.000000E+00 (dihedral angle constraints)
2017 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2018 UCONST= 0.000000E+00 (Constraint energy)
2019 EDFAD= 2.377498-315 (DFA distance energy)
2020 EDFAT= 6.953299-310 (DFA torsion energy)
2021 EDFAN= 1.976263-323 (DFA NCa energy)
2022 EDFAB= 8.487983-314 (DFA Beta energy)
2023 ETOT= -8.687626E+01 (total)
2024 RMS deviation from the reference structure: 4.608
2025 % of native contacts: 25.000
2026 % of nonnative contacts: 85.714
2027 contact order: 0.383
2028 TM-score with the reference structure: 0.30
2031 Virtual-chain energies:
2033 EVDW= -5.374316E+01 WEIGHT= 1.352790D+00 (SC-SC)
2034 EVDW2= 3.076340E+01 WEIGHT= 1.593040D+00 (SC-p)
2035 EES= -4.007451E+01 WEIGHT= 7.153400D-01 (p-p)
2036 EVDWPP= -3.555473E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2037 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2038 EBE= -3.854059E+01 WEIGHT= 1.138730D+00 (bending)
2039 ESC= 3.101141E+01 WEIGHT= 1.625800D-01 (SC local)
2040 ETORS= 4.361887E+00 WEIGHT= 1.985990D+00 (torsional)
2041 ETORSD= -1.136983E+00 WEIGHT= 1.570690D+00 (double torsional)
2042 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2043 ECORR4= -2.627174E+01 WEIGHT= 4.288700D-01 (multi-body)
2044 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2045 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2046 EELLO= 1.328438E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2047 ETURN3= 7.859129E+00 WEIGHT= 1.687220D+00 (turns, 3rd order)
2048 ETURN4= 1.250120E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2049 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2050 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2051 EDIHC= 0.000000E+00 (dihedral angle constraints)
2052 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2053 UCONST= 0.000000E+00 (Constraint energy)
2054 EDFAD= 2.377498-315 (DFA distance energy)
2055 EDFAT= 6.953299-310 (DFA torsion energy)
2056 EDFAN= 1.976263-323 (DFA NCa energy)
2057 EDFAB= 8.487983-314 (DFA Beta energy)
2058 ETOT= -8.608564E+01 (total)
2059 RMS deviation from the reference structure: 5.439
2060 % of native contacts: 33.333
2061 % of nonnative contacts: 76.471
2062 contact order: 0.377
2063 TM-score with the reference structure: 0.20
2066 Virtual-chain energies:
2068 EVDW= -5.364065E+01 WEIGHT= 1.352790D+00 (SC-SC)
2069 EVDW2= 4.404283E+01 WEIGHT= 1.593040D+00 (SC-p)
2070 EES= -8.760452E+01 WEIGHT= 7.153400D-01 (p-p)
2071 EVDWPP= -1.758343E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2072 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2073 EBE= -3.738423E+01 WEIGHT= 1.138730D+00 (bending)
2074 ESC= 4.781970E+01 WEIGHT= 1.625800D-01 (SC local)
2075 ETORS= 8.626202E+00 WEIGHT= 1.985990D+00 (torsional)
2076 ETORSD= -1.511420E+00 WEIGHT= 1.570690D+00 (double torsional)
2077 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2078 ECORR4= -6.329560E+01 WEIGHT= 4.288700D-01 (multi-body)
2079 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2080 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2081 EELLO= 3.768489E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2082 ETURN3= 1.809857E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2083 ETURN4= -2.887417E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2084 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2085 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2086 EDIHC= 0.000000E+00 (dihedral angle constraints)
2087 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2088 UCONST= 0.000000E+00 (Constraint energy)
2089 EDFAD= 2.377498-315 (DFA distance energy)
2090 EDFAT= 6.953299-310 (DFA torsion energy)
2091 EDFAN= 1.976263-323 (DFA NCa energy)
2092 EDFAB= 8.487983-314 (DFA Beta energy)
2093 ETOT= -8.502475E+01 (total)
2094 RMS deviation from the reference structure: 4.868
2095 % of native contacts: 16.667
2096 % of nonnative contacts: 86.667
2097 contact order: 0.324
2098 TM-score with the reference structure: 0.29
2101 Virtual-chain energies:
2103 EVDW= -5.502202E+01 WEIGHT= 1.352790D+00 (SC-SC)
2104 EVDW2= 4.995064E+01 WEIGHT= 1.593040D+00 (SC-p)
2105 EES= -8.998449E+01 WEIGHT= 7.153400D-01 (p-p)
2106 EVDWPP= -3.419168E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2107 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2108 EBE= -3.874727E+01 WEIGHT= 1.138730D+00 (bending)
2109 ESC= 4.916945E+01 WEIGHT= 1.625800D-01 (SC local)
2110 ETORS= 1.124203E+01 WEIGHT= 1.985990D+00 (torsional)
2111 ETORSD= -3.679691E+00 WEIGHT= 1.570690D+00 (double torsional)
2112 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2113 ECORR4= -6.658060E+01 WEIGHT= 4.288700D-01 (multi-body)
2114 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2115 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2116 EELLO= -8.262384E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
2117 ETURN3= 1.592054E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2118 ETURN4= 3.803167E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2119 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2120 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2121 EDIHC= 0.000000E+00 (dihedral angle constraints)
2122 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2123 UCONST= 0.000000E+00 (Constraint energy)
2124 EDFAD= 2.377498-315 (DFA distance energy)
2125 EDFAT= 6.953299-310 (DFA torsion energy)
2126 EDFAN= 1.976263-323 (DFA NCa energy)
2127 EDFAB= 8.487983-314 (DFA Beta energy)
2128 ETOT= -8.427270E+01 (total)
2129 RMS deviation from the reference structure: 3.064
2130 % of native contacts: 58.333
2131 % of nonnative contacts: 63.158
2132 contact order: 0.354
2133 TM-score with the reference structure: 0.25
2136 Virtual-chain energies:
2138 EVDW= -5.453362E+01 WEIGHT= 1.352790D+00 (SC-SC)
2139 EVDW2= 4.843808E+01 WEIGHT= 1.593040D+00 (SC-p)
2140 EES= -8.559473E+01 WEIGHT= 7.153400D-01 (p-p)
2141 EVDWPP= -3.665171E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2142 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2143 EBE= -3.689629E+01 WEIGHT= 1.138730D+00 (bending)
2144 ESC= 4.339675E+01 WEIGHT= 1.625800D-01 (SC local)
2145 ETORS= 9.460065E+00 WEIGHT= 1.985990D+00 (torsional)
2146 ETORSD= -3.276068E+00 WEIGHT= 1.570690D+00 (double torsional)
2147 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2148 ECORR4= -6.586225E+01 WEIGHT= 4.288700D-01 (multi-body)
2149 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2150 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2151 EELLO= -2.108888E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2152 ETURN3= 1.468494E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2153 ETURN4= 2.555034E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2154 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2155 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2156 EDIHC= 0.000000E+00 (dihedral angle constraints)
2157 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2158 UCONST= 0.000000E+00 (Constraint energy)
2159 EDFAD= 2.377498-315 (DFA distance energy)
2160 EDFAT= 6.953299-310 (DFA torsion energy)
2161 EDFAN= 1.976263-323 (DFA NCa energy)
2162 EDFAB= 8.487983-314 (DFA Beta energy)
2163 ETOT= -8.543891E+01 (total)
2164 RMS deviation from the reference structure: 3.301
2165 % of native contacts: 50.000
2166 % of nonnative contacts: 70.000
2167 contact order: 0.330
2168 TM-score with the reference structure: 0.28
2171 Virtual-chain energies:
2173 EVDW= -5.229871E+01 WEIGHT= 1.352790D+00 (SC-SC)
2174 EVDW2= 4.444879E+01 WEIGHT= 1.593040D+00 (SC-p)
2175 EES= -8.631160E+01 WEIGHT= 7.153400D-01 (p-p)
2176 EVDWPP= -2.527822E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2177 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2178 EBE= -3.865257E+01 WEIGHT= 1.138730D+00 (bending)
2179 ESC= 3.912593E+01 WEIGHT= 1.625800D-01 (SC local)
2180 ETORS= 7.862726E+00 WEIGHT= 1.985990D+00 (torsional)
2181 ETORSD= -1.200153E+00 WEIGHT= 1.570690D+00 (double torsional)
2182 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2183 ECORR4= -6.260659E+01 WEIGHT= 4.288700D-01 (multi-body)
2184 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2185 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2186 EELLO= -1.483058E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2187 ETURN3= 1.806337E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2188 ETURN4= -6.289257E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2189 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2190 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2191 EDIHC= 0.000000E+00 (dihedral angle constraints)
2192 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2193 UCONST= 0.000000E+00 (Constraint energy)
2194 EDFAD= 2.377498-315 (DFA distance energy)
2195 EDFAT= 6.953299-310 (DFA torsion energy)
2196 EDFAN= 1.976263-323 (DFA NCa energy)
2197 EDFAB= 8.487983-314 (DFA Beta energy)
2198 ETOT= -8.550809E+01 (total)
2199 RMS deviation from the reference structure: 3.945
2200 % of native contacts: 41.667
2201 % of nonnative contacts: 76.190
2202 contact order: 0.338
2203 TM-score with the reference structure: 0.29
2206 Virtual-chain energies:
2208 EVDW= -5.042303E+01 WEIGHT= 1.352790D+00 (SC-SC)
2209 EVDW2= 4.600233E+01 WEIGHT= 1.593040D+00 (SC-p)
2210 EES= -9.490526E+01 WEIGHT= 7.153400D-01 (p-p)
2211 EVDWPP= -2.285884E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2212 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2213 EBE= -3.988332E+01 WEIGHT= 1.138730D+00 (bending)
2214 ESC= 2.607804E+01 WEIGHT= 1.625800D-01 (SC local)
2215 ETORS= 1.210209E+01 WEIGHT= 1.985990D+00 (torsional)
2216 ETORSD= -1.324361E+00 WEIGHT= 1.570690D+00 (double torsional)
2217 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2218 ECORR4= -6.755728E+01 WEIGHT= 4.288700D-01 (multi-body)
2219 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2220 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2221 EELLO= -1.722898E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2222 ETURN3= 1.653233E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2223 ETURN4= 1.184772E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2224 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2225 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2226 EDIHC= 0.000000E+00 (dihedral angle constraints)
2227 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2228 UCONST= 0.000000E+00 (Constraint energy)
2229 EDFAD= 2.377498-315 (DFA distance energy)
2230 EDFAT= 6.953299-310 (DFA torsion energy)
2231 EDFAN= 1.976263-323 (DFA NCa energy)
2232 EDFAB= 8.487983-314 (DFA Beta energy)
2233 ETOT= -8.521035E+01 (total)
2234 RMS deviation from the reference structure: 3.790
2235 % of native contacts: 33.333
2236 % of nonnative contacts: 80.000
2237 contact order: 0.366
2238 TM-score with the reference structure: 0.26
2241 Virtual-chain energies:
2243 EVDW= -5.186453E+01 WEIGHT= 1.352790D+00 (SC-SC)
2244 EVDW2= 3.806972E+01 WEIGHT= 1.593040D+00 (SC-p)
2245 EES= -7.111239E+01 WEIGHT= 7.153400D-01 (p-p)
2246 EVDWPP= -2.421347E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2247 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2248 EBE= -3.603432E+01 WEIGHT= 1.138730D+00 (bending)
2249 ESC= 4.266947E+01 WEIGHT= 1.625800D-01 (SC local)
2250 ETORS= 7.396729E+00 WEIGHT= 1.985990D+00 (torsional)
2251 ETORSD= -2.708249E+00 WEIGHT= 1.570690D+00 (double torsional)
2252 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2253 ECORR4= -5.376431E+01 WEIGHT= 4.288700D-01 (multi-body)
2254 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2255 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2256 EELLO= 5.516229E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
2257 ETURN3= 1.505928E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2258 ETURN4= 9.363701E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
2259 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2260 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2261 EDIHC= 0.000000E+00 (dihedral angle constraints)
2262 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2263 UCONST= 0.000000E+00 (Constraint energy)
2264 EDFAD= 2.377498-315 (DFA distance energy)
2265 EDFAT= 6.953299-310 (DFA torsion energy)
2266 EDFAN= 1.976263-323 (DFA NCa energy)
2267 EDFAB= 8.487983-314 (DFA Beta energy)
2268 ETOT= -8.429733E+01 (total)
2269 RMS deviation from the reference structure: 4.907
2270 % of native contacts: 33.333
2271 % of nonnative contacts: 77.778
2272 contact order: 0.399
2273 TM-score with the reference structure: 0.29
2276 Virtual-chain energies:
2278 EVDW= -5.179107E+01 WEIGHT= 1.352790D+00 (SC-SC)
2279 EVDW2= 4.629459E+01 WEIGHT= 1.593040D+00 (SC-p)
2280 EES= -8.841908E+01 WEIGHT= 7.153400D-01 (p-p)
2281 EVDWPP= -3.028386E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2282 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2283 EBE= -3.740850E+01 WEIGHT= 1.138730D+00 (bending)
2284 ESC= 4.534206E+01 WEIGHT= 1.625800D-01 (SC local)
2285 ETORS= 7.102462E+00 WEIGHT= 1.985990D+00 (torsional)
2286 ETORSD= 4.089830E-01 WEIGHT= 1.570690D+00 (double torsional)
2287 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2288 ECORR4= -6.720390E+01 WEIGHT= 4.288700D-01 (multi-body)
2289 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2290 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2291 EELLO= -3.760697E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2292 ETURN3= 1.538744E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2293 ETURN4= -1.996453E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2294 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2295 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2296 EDIHC= 0.000000E+00 (dihedral angle constraints)
2297 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2298 UCONST= 0.000000E+00 (Constraint energy)
2299 EDFAD= 2.377498-315 (DFA distance energy)
2300 EDFAT= 6.953299-310 (DFA torsion energy)
2301 EDFAN= 1.976263-323 (DFA NCa energy)
2302 EDFAB= 8.487983-314 (DFA Beta energy)
2303 ETOT= -8.827031E+01 (total)
2304 RMS deviation from the reference structure: 3.170
2305 % of native contacts: 66.667
2306 % of nonnative contacts: 61.905
2307 contact order: 0.271
2308 TM-score with the reference structure: 0.30
2311 Virtual-chain energies:
2313 EVDW= -5.630790E+01 WEIGHT= 1.352790D+00 (SC-SC)
2314 EVDW2= 4.878917E+01 WEIGHT= 1.593040D+00 (SC-p)
2315 EES= -9.755210E+01 WEIGHT= 7.153400D-01 (p-p)
2316 EVDWPP= -2.151794E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2317 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2318 EBE= -4.046870E+01 WEIGHT= 1.138730D+00 (bending)
2319 ESC= 4.958358E+01 WEIGHT= 1.625800D-01 (SC local)
2320 ETORS= 1.221616E+01 WEIGHT= 1.985990D+00 (torsional)
2321 ETORSD= -2.113419E+00 WEIGHT= 1.570690D+00 (double torsional)
2322 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2323 ECORR4= -7.225610E+01 WEIGHT= 4.288700D-01 (multi-body)
2324 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2325 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2326 EELLO= -3.707729E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2327 ETURN3= 1.932456E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2328 ETURN4= -7.543101E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2329 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2330 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2331 EDIHC= 0.000000E+00 (dihedral angle constraints)
2332 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2333 UCONST= 0.000000E+00 (Constraint energy)
2334 EDFAD= 2.377498-315 (DFA distance energy)
2335 EDFAT= 6.953299-310 (DFA torsion energy)
2336 EDFAN= 1.976263-323 (DFA NCa energy)
2337 EDFAB= 8.487983-314 (DFA Beta energy)
2338 ETOT= -8.723719E+01 (total)
2339 RMS deviation from the reference structure: 3.298
2340 % of native contacts: 25.000
2341 % of nonnative contacts: 82.353
2342 contact order: 0.353
2343 TM-score with the reference structure: 0.30
2346 Virtual-chain energies:
2348 EVDW= -5.317756E+01 WEIGHT= 1.352790D+00 (SC-SC)
2349 EVDW2= 4.529983E+01 WEIGHT= 1.593040D+00 (SC-p)
2350 EES= -9.070001E+01 WEIGHT= 7.153400D-01 (p-p)
2351 EVDWPP= -1.923022E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2352 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2353 EBE= -4.062870E+01 WEIGHT= 1.138730D+00 (bending)
2354 ESC= 4.442334E+01 WEIGHT= 1.625800D-01 (SC local)
2355 ETORS= 9.530748E+00 WEIGHT= 1.985990D+00 (torsional)
2356 ETORSD= -8.878449E-01 WEIGHT= 1.570690D+00 (double torsional)
2357 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2358 ECORR4= -6.241852E+01 WEIGHT= 4.288700D-01 (multi-body)
2359 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2360 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2361 EELLO= 2.760944E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2362 ETURN3= 1.832901E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2363 ETURN4= -3.414640E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2364 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2365 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2366 EDIHC= 0.000000E+00 (dihedral angle constraints)
2367 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2368 UCONST= 0.000000E+00 (Constraint energy)
2369 EDFAD= 2.377498-315 (DFA distance energy)
2370 EDFAT= 6.953299-310 (DFA torsion energy)
2371 EDFAN= 1.976263-323 (DFA NCa energy)
2372 EDFAB= 8.487983-314 (DFA Beta energy)
2373 ETOT= -8.601411E+01 (total)
2374 RMS deviation from the reference structure: 4.202
2375 % of native contacts: 8.333
2376 % of nonnative contacts: 94.737
2377 contact order: 0.333
2378 TM-score with the reference structure: 0.29
2381 Virtual-chain energies:
2383 EVDW= -5.057237E+01 WEIGHT= 1.352790D+00 (SC-SC)
2384 EVDW2= 4.074535E+01 WEIGHT= 1.593040D+00 (SC-p)
2385 EES= -8.577390E+01 WEIGHT= 7.153400D-01 (p-p)
2386 EVDWPP= -1.142548E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2387 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2388 EBE= -3.529790E+01 WEIGHT= 1.138730D+00 (bending)
2389 ESC= 3.136736E+01 WEIGHT= 1.625800D-01 (SC local)
2390 ETORS= 8.107184E+00 WEIGHT= 1.985990D+00 (torsional)
2391 ETORSD= -3.709245E-01 WEIGHT= 1.570690D+00 (double torsional)
2392 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2393 ECORR4= -5.984015E+01 WEIGHT= 4.288700D-01 (multi-body)
2394 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2395 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2396 EELLO= 3.689663E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2397 ETURN3= 1.699508E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2398 ETURN4= -3.680948E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2399 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2400 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2401 EDIHC= 0.000000E+00 (dihedral angle constraints)
2402 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2403 UCONST= 0.000000E+00 (Constraint energy)
2404 EDFAD= 2.377498-315 (DFA distance energy)
2405 EDFAT= 6.953299-310 (DFA torsion energy)
2406 EDFAN= 1.976263-323 (DFA NCa energy)
2407 EDFAB= 8.487983-314 (DFA Beta energy)
2408 ETOT= -8.457383E+01 (total)
2409 RMS deviation from the reference structure: 4.729
2410 % of native contacts: 16.667
2411 % of nonnative contacts: 87.500
2412 contact order: 0.398
2413 TM-score with the reference structure: 0.31
2416 Virtual-chain energies:
2418 EVDW= -4.837741E+01 WEIGHT= 1.352790D+00 (SC-SC)
2419 EVDW2= 5.329928E+01 WEIGHT= 1.593040D+00 (SC-p)
2420 EES= -1.157005E+02 WEIGHT= 7.153400D-01 (p-p)
2421 EVDWPP= -1.742429E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2422 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2423 EBE= -4.220745E+01 WEIGHT= 1.138730D+00 (bending)
2424 ESC= 3.579589E+01 WEIGHT= 1.625800D-01 (SC local)
2425 ETORS= 1.225300E+01 WEIGHT= 1.985990D+00 (torsional)
2426 ETORSD= 4.161691E-01 WEIGHT= 1.570690D+00 (double torsional)
2427 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2428 ECORR4= -8.226211E+01 WEIGHT= 4.288700D-01 (multi-body)
2429 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2430 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2431 EELLO= -1.076013E+01 WEIGHT= 1.603600D-01 (electrostatic-local)
2432 ETURN3= 1.969768E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2433 ETURN4= 9.543553E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2434 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2435 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2436 EDIHC= 0.000000E+00 (dihedral angle constraints)
2437 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2438 UCONST= 0.000000E+00 (Constraint energy)
2439 EDFAD= 2.377498-315 (DFA distance energy)
2440 EDFAT= 6.953299-310 (DFA torsion energy)
2441 EDFAN= 1.976263-323 (DFA NCa energy)
2442 EDFAB= 8.487983-314 (DFA Beta energy)
2443 ETOT= -8.567715E+01 (total)
2444 RMS deviation from the reference structure: 3.886
2445 % of native contacts: 50.000
2446 % of nonnative contacts: 71.429
2447 contact order: 0.323
2448 TM-score with the reference structure: 0.32
2451 Virtual-chain energies:
2453 EVDW= -5.295559E+01 WEIGHT= 1.352790D+00 (SC-SC)
2454 EVDW2= 4.795902E+01 WEIGHT= 1.593040D+00 (SC-p)
2455 EES= -9.040934E+01 WEIGHT= 7.153400D-01 (p-p)
2456 EVDWPP= -3.132610E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2457 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2458 EBE= -3.699484E+01 WEIGHT= 1.138730D+00 (bending)
2459 ESC= 5.102129E+01 WEIGHT= 1.625800D-01 (SC local)
2460 ETORS= 7.902699E+00 WEIGHT= 1.985990D+00 (torsional)
2461 ETORSD= 7.790697E-02 WEIGHT= 1.570690D+00 (double torsional)
2462 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2463 ECORR4= -6.708740E+01 WEIGHT= 4.288700D-01 (multi-body)
2464 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2465 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2466 EELLO= -6.280741E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2467 ETURN3= 1.656312E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2468 ETURN4= -2.938430E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2469 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2470 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2471 EDIHC= 0.000000E+00 (dihedral angle constraints)
2472 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2473 UCONST= 0.000000E+00 (Constraint energy)
2474 EDFAD= 2.377498-315 (DFA distance energy)
2475 EDFAT= 6.953299-310 (DFA torsion energy)
2476 EDFAN= 1.976263-323 (DFA NCa energy)
2477 EDFAB= 8.487983-314 (DFA Beta energy)
2478 ETOT= -8.526715E+01 (total)
2479 RMS deviation from the reference structure: 3.284
2480 % of native contacts: 50.000
2481 % of nonnative contacts: 72.727
2482 contact order: 0.351
2483 TM-score with the reference structure: 0.30
2486 Virtual-chain energies:
2488 EVDW= -5.186847E+01 WEIGHT= 1.352790D+00 (SC-SC)
2489 EVDW2= 3.687274E+01 WEIGHT= 1.593040D+00 (SC-p)
2490 EES= -6.703382E+01 WEIGHT= 7.153400D-01 (p-p)
2491 EVDWPP= -2.641375E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2492 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2493 EBE= -4.036413E+01 WEIGHT= 1.138730D+00 (bending)
2494 ESC= 3.676550E+01 WEIGHT= 1.625800D-01 (SC local)
2495 ETORS= 9.012942E+00 WEIGHT= 1.985990D+00 (torsional)
2496 ETORSD= -2.382656E+00 WEIGHT= 1.570690D+00 (double torsional)
2497 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2498 ECORR4= -4.979194E+01 WEIGHT= 4.288700D-01 (multi-body)
2499 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2500 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2501 EELLO= 5.277539E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
2502 ETURN3= 1.436494E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2503 ETURN4= 4.574262E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2504 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2505 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2506 EDIHC= 0.000000E+00 (dihedral angle constraints)
2507 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2508 UCONST= 0.000000E+00 (Constraint energy)
2509 EDFAD= 2.377498-315 (DFA distance energy)
2510 EDFAT= 6.953299-310 (DFA torsion energy)
2511 EDFAN= 1.976263-323 (DFA NCa energy)
2512 EDFAB= 8.487983-314 (DFA Beta energy)
2513 ETOT= -8.494206E+01 (total)
2514 RMS deviation from the reference structure: 5.112
2515 % of native contacts: 33.333
2516 % of nonnative contacts: 78.947
2517 contact order: 0.361
2518 TM-score with the reference structure: 0.28
2521 Virtual-chain energies:
2523 EVDW= -5.558888E+01 WEIGHT= 1.352790D+00 (SC-SC)
2524 EVDW2= 4.099598E+01 WEIGHT= 1.593040D+00 (SC-p)
2525 EES= -7.264055E+01 WEIGHT= 7.153400D-01 (p-p)
2526 EVDWPP= -2.872017E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2527 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2528 EBE= -3.983443E+01 WEIGHT= 1.138730D+00 (bending)
2529 ESC= 4.878862E+01 WEIGHT= 1.625800D-01 (SC local)
2530 ETORS= 1.077198E+01 WEIGHT= 1.985990D+00 (torsional)
2531 ETORSD= -2.090095E-01 WEIGHT= 1.570690D+00 (double torsional)
2532 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2533 ECORR4= -4.736768E+01 WEIGHT= 4.288700D-01 (multi-body)
2534 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2535 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2536 EELLO= 3.065685E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2537 ETURN3= 1.303602E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2538 ETURN4= -7.783140E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2539 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2540 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2541 EDIHC= 0.000000E+00 (dihedral angle constraints)
2542 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2543 UCONST= 0.000000E+00 (Constraint energy)
2544 EDFAD= 2.377498-315 (DFA distance energy)
2545 EDFAT= 6.953299-310 (DFA torsion energy)
2546 EDFAN= 1.976263-323 (DFA NCa energy)
2547 EDFAB= 8.487983-314 (DFA Beta energy)
2548 ETOT= -8.446726E+01 (total)
2549 RMS deviation from the reference structure: 4.248
2550 % of native contacts: 25.000
2551 % of nonnative contacts: 80.000
2552 contact order: 0.355
2553 TM-score with the reference structure: 0.26
2556 Virtual-chain energies:
2558 EVDW= -5.455207E+01 WEIGHT= 1.352790D+00 (SC-SC)
2559 EVDW2= 5.220134E+01 WEIGHT= 1.593040D+00 (SC-p)
2560 EES= -1.050987E+02 WEIGHT= 7.153400D-01 (p-p)
2561 EVDWPP= -2.380943E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2562 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2563 EBE= -3.878486E+01 WEIGHT= 1.138730D+00 (bending)
2564 ESC= 4.519653E+01 WEIGHT= 1.625800D-01 (SC local)
2565 ETORS= 9.338436E+00 WEIGHT= 1.985990D+00 (torsional)
2566 ETORSD= 3.080589E-01 WEIGHT= 1.570690D+00 (double torsional)
2567 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2568 ECORR4= -7.962783E+01 WEIGHT= 4.288700D-01 (multi-body)
2569 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2570 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2571 EELLO= -5.480125E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2572 ETURN3= 1.881507E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2573 ETURN4= -2.179747E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2574 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2575 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2576 EDIHC= 0.000000E+00 (dihedral angle constraints)
2577 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2578 UCONST= 0.000000E+00 (Constraint energy)
2579 EDFAD= 2.377498-315 (DFA distance energy)
2580 EDFAT= 6.953299-310 (DFA torsion energy)
2581 EDFAN= 1.976263-323 (DFA NCa energy)
2582 EDFAB= 8.487983-314 (DFA Beta energy)
2583 ETOT= -9.104212E+01 (total)
2584 RMS deviation from the reference structure: 3.058
2585 % of native contacts: 58.333
2586 % of nonnative contacts: 68.182
2587 contact order: 0.279
2588 TM-score with the reference structure: 0.30
2591 Virtual-chain energies:
2593 EVDW= -5.185106E+01 WEIGHT= 1.352790D+00 (SC-SC)
2594 EVDW2= 4.306848E+01 WEIGHT= 1.593040D+00 (SC-p)
2595 EES= -7.142105E+01 WEIGHT= 7.153400D-01 (p-p)
2596 EVDWPP= -4.068654E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2597 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2598 EBE= -3.737420E+01 WEIGHT= 1.138730D+00 (bending)
2599 ESC= 3.910587E+01 WEIGHT= 1.625800D-01 (SC local)
2600 ETORS= 7.209249E+00 WEIGHT= 1.985990D+00 (torsional)
2601 ETORSD= -1.672532E+00 WEIGHT= 1.570690D+00 (double torsional)
2602 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2603 ECORR4= -5.440923E+01 WEIGHT= 4.288700D-01 (multi-body)
2604 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2605 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2606 EELLO= -2.261502E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2607 ETURN3= 1.274200E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2608 ETURN4= 4.336507E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2609 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2610 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2611 EDIHC= 0.000000E+00 (dihedral angle constraints)
2612 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2613 UCONST= 0.000000E+00 (Constraint energy)
2614 EDFAD= 2.377498-315 (DFA distance energy)
2615 EDFAT= 6.953299-310 (DFA torsion energy)
2616 EDFAN= 1.976263-323 (DFA NCa energy)
2617 EDFAB= 8.487983-314 (DFA Beta energy)
2618 ETOT= -8.367278E+01 (total)
2619 RMS deviation from the reference structure: 3.393
2620 % of native contacts: 41.667
2621 % of nonnative contacts: 78.261
2622 contact order: 0.403
2623 TM-score with the reference structure: 0.25
2626 Virtual-chain energies:
2628 EVDW= -4.920316E+01 WEIGHT= 1.352790D+00 (SC-SC)
2629 EVDW2= 3.643182E+01 WEIGHT= 1.593040D+00 (SC-p)
2630 EES= -6.548382E+01 WEIGHT= 7.153400D-01 (p-p)
2631 EVDWPP= -2.941736E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2632 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2633 EBE= -3.939066E+01 WEIGHT= 1.138730D+00 (bending)
2634 ESC= 3.485384E+01 WEIGHT= 1.625800D-01 (SC local)
2635 ETORS= 5.975186E+00 WEIGHT= 1.985990D+00 (torsional)
2636 ETORSD= -2.133724E+00 WEIGHT= 1.570690D+00 (double torsional)
2637 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2638 ECORR4= -4.566452E+01 WEIGHT= 4.288700D-01 (multi-body)
2639 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2640 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2641 EELLO= 1.733705E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2642 ETURN3= 1.409396E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2643 ETURN4= 1.713674E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2644 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2645 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2646 EDIHC= 0.000000E+00 (dihedral angle constraints)
2647 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2648 UCONST= 0.000000E+00 (Constraint energy)
2649 EDFAD= 2.377498-315 (DFA distance energy)
2650 EDFAT= 6.953299-310 (DFA torsion energy)
2651 EDFAN= 1.976263-323 (DFA NCa energy)
2652 EDFAB= 8.487983-314 (DFA Beta energy)
2653 ETOT= -8.377753E+01 (total)
2654 RMS deviation from the reference structure: 4.423
2655 % of native contacts: 25.000
2656 % of nonnative contacts: 83.333
2657 contact order: 0.394
2658 TM-score with the reference structure: 0.26
2661 Virtual-chain energies:
2663 EVDW= -4.941139E+01 WEIGHT= 1.352790D+00 (SC-SC)
2664 EVDW2= 4.328011E+01 WEIGHT= 1.593040D+00 (SC-p)
2665 EES= -7.974225E+01 WEIGHT= 7.153400D-01 (p-p)
2666 EVDWPP= -3.223944E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2667 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2668 EBE= -3.907951E+01 WEIGHT= 1.138730D+00 (bending)
2669 ESC= 3.173090E+01 WEIGHT= 1.625800D-01 (SC local)
2670 ETORS= 1.108057E+01 WEIGHT= 1.985990D+00 (torsional)
2671 ETORSD= -3.746038E+00 WEIGHT= 1.570690D+00 (double torsional)
2672 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2673 ECORR4= -6.063681E+01 WEIGHT= 4.288700D-01 (multi-body)
2674 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2675 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2676 EELLO= -1.044971E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2677 ETURN3= 1.277677E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2678 ETURN4= 1.361810E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2679 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2680 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2681 EDIHC= 0.000000E+00 (dihedral angle constraints)
2682 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2683 UCONST= 0.000000E+00 (Constraint energy)
2684 EDFAD= 2.377498-315 (DFA distance energy)
2685 EDFAT= 6.953299-310 (DFA torsion energy)
2686 EDFAN= 1.976263-323 (DFA NCa energy)
2687 EDFAB= 8.487983-314 (DFA Beta energy)
2688 ETOT= -8.553897E+01 (total)
2689 RMS deviation from the reference structure: 4.457
2690 % of native contacts: 33.333
2691 % of nonnative contacts: 80.000
2692 contact order: 0.343
2693 TM-score with the reference structure: 0.32
2696 Virtual-chain energies:
2698 EVDW= -4.955611E+01 WEIGHT= 1.352790D+00 (SC-SC)
2699 EVDW2= 4.930650E+01 WEIGHT= 1.593040D+00 (SC-p)
2700 EES= -9.298890E+01 WEIGHT= 7.153400D-01 (p-p)
2701 EVDWPP= -2.833676E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2702 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2703 EBE= -4.043403E+01 WEIGHT= 1.138730D+00 (bending)
2704 ESC= 2.435709E+01 WEIGHT= 1.625800D-01 (SC local)
2705 ETORS= 1.041503E+01 WEIGHT= 1.985990D+00 (torsional)
2706 ETORSD= -2.684490E+00 WEIGHT= 1.570690D+00 (double torsional)
2707 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2708 ECORR4= -7.150136E+01 WEIGHT= 4.288700D-01 (multi-body)
2709 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2710 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2711 EELLO= -5.720917E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2712 ETURN3= 1.743149E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2713 ETURN4= 1.804284E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2714 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2715 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2716 EDIHC= 0.000000E+00 (dihedral angle constraints)
2717 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2718 UCONST= 0.000000E+00 (Constraint energy)
2719 EDFAD= 2.377498-315 (DFA distance energy)
2720 EDFAT= 6.953299-310 (DFA torsion energy)
2721 EDFAN= 1.976263-323 (DFA NCa energy)
2722 EDFAB= 8.487983-314 (DFA Beta energy)
2723 ETOT= -8.482491E+01 (total)
2724 RMS deviation from the reference structure: 3.837
2725 % of native contacts: 50.000
2726 % of nonnative contacts: 68.421
2727 contact order: 0.278
2728 TM-score with the reference structure: 0.33
2731 Virtual-chain energies:
2733 EVDW= -5.202628E+01 WEIGHT= 1.352790D+00 (SC-SC)
2734 EVDW2= 3.719430E+01 WEIGHT= 1.593040D+00 (SC-p)
2735 EES= -6.632086E+01 WEIGHT= 7.153400D-01 (p-p)
2736 EVDWPP= -2.983260E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2737 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2738 EBE= -3.708454E+01 WEIGHT= 1.138730D+00 (bending)
2739 ESC= 3.442012E+01 WEIGHT= 1.625800D-01 (SC local)
2740 ETORS= 5.991217E+00 WEIGHT= 1.985990D+00 (torsional)
2741 ETORSD= -8.173571E-01 WEIGHT= 1.570690D+00 (double torsional)
2742 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2743 ECORR4= -4.825102E+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= -7.104581E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
2747 ETURN3= 1.436606E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2748 ETURN4= -1.580555E+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= 2.377498-315 (DFA distance energy)
2755 EDFAT= 6.953299-310 (DFA torsion energy)
2756 EDFAN= 1.976263-323 (DFA NCa energy)
2757 EDFAB= 8.487983-314 (DFA Beta energy)
2758 ETOT= -8.559685E+01 (total)
2759 RMS deviation from the reference structure: 4.213
2760 % of native contacts: 33.333
2761 % of nonnative contacts: 78.947
2762 contact order: 0.380
2763 TM-score with the reference structure: 0.29
2766 Virtual-chain energies:
2768 EVDW= -5.070466E+01 WEIGHT= 1.352790D+00 (SC-SC)
2769 EVDW2= 3.873411E+01 WEIGHT= 1.593040D+00 (SC-p)
2770 EES= -7.528939E+01 WEIGHT= 7.153400D-01 (p-p)
2771 EVDWPP= -1.629328E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2772 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2773 EBE= -3.705379E+01 WEIGHT= 1.138730D+00 (bending)
2774 ESC= 4.089252E+01 WEIGHT= 1.625800D-01 (SC local)
2775 ETORS= 8.532794E+00 WEIGHT= 1.985990D+00 (torsional)
2776 ETORSD= -1.191084E+00 WEIGHT= 1.570690D+00 (double torsional)
2777 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2778 ECORR4= -5.469145E+01 WEIGHT= 4.288700D-01 (multi-body)
2779 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2780 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2781 EELLO= 3.129666E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2782 ETURN3= 1.442440E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2783 ETURN4= -3.119323E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2784 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2785 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2786 EDIHC= 0.000000E+00 (dihedral angle constraints)
2787 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2788 UCONST= 0.000000E+00 (Constraint energy)
2789 EDFAD= 2.377498-315 (DFA distance energy)
2790 EDFAT= 6.953299-310 (DFA torsion energy)
2791 EDFAN= 1.976263-323 (DFA NCa energy)
2792 EDFAB= 8.487983-314 (DFA Beta energy)
2793 ETOT= -8.375117E+01 (total)
2794 RMS deviation from the reference structure: 4.797
2795 % of native contacts: 25.000
2796 % of nonnative contacts: 83.333
2797 contact order: 0.449
2798 TM-score with the reference structure: 0.28
2801 Virtual-chain energies:
2803 EVDW= -5.160874E+01 WEIGHT= 1.352790D+00 (SC-SC)
2804 EVDW2= 4.711786E+01 WEIGHT= 1.593040D+00 (SC-p)
2805 EES= -9.601729E+01 WEIGHT= 7.153400D-01 (p-p)
2806 EVDWPP= -2.953275E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2807 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2808 EBE= -3.820754E+01 WEIGHT= 1.138730D+00 (bending)
2809 ESC= 4.483815E+01 WEIGHT= 1.625800D-01 (SC local)
2810 ETORS= 8.983905E+00 WEIGHT= 1.985990D+00 (torsional)
2811 ETORSD= 2.220137E+00 WEIGHT= 1.570690D+00 (double torsional)
2812 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2813 ECORR4= -7.176314E+01 WEIGHT= 4.288700D-01 (multi-body)
2814 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2815 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2816 EELLO= -5.651817E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2817 ETURN3= 1.842882E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2818 ETURN4= -5.270950E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2819 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2820 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2821 EDIHC= 0.000000E+00 (dihedral angle constraints)
2822 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2823 UCONST= 0.000000E+00 (Constraint energy)
2824 EDFAD= 2.377498-315 (DFA distance energy)
2825 EDFAT= 6.953299-310 (DFA torsion energy)
2826 EDFAN= 1.976263-323 (DFA NCa energy)
2827 EDFAB= 8.487983-314 (DFA Beta energy)
2828 ETOT= -8.576840E+01 (total)
2829 RMS deviation from the reference structure: 2.441
2830 % of native contacts: 41.667
2831 % of nonnative contacts: 76.190
2832 contact order: 0.353
2833 TM-score with the reference structure: 0.36
2836 Virtual-chain energies:
2838 EVDW= -5.092014E+01 WEIGHT= 1.352790D+00 (SC-SC)
2839 EVDW2= 4.785640E+01 WEIGHT= 1.593040D+00 (SC-p)
2840 EES= -9.703879E+01 WEIGHT= 7.153400D-01 (p-p)
2841 EVDWPP= -2.112447E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2842 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2843 EBE= -4.155324E+01 WEIGHT= 1.138730D+00 (bending)
2844 ESC= 4.015540E+01 WEIGHT= 1.625800D-01 (SC local)
2845 ETORS= 1.117223E+01 WEIGHT= 1.985990D+00 (torsional)
2846 ETORSD= -2.062748E+00 WEIGHT= 1.570690D+00 (double torsional)
2847 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2848 ECORR4= -7.085797E+01 WEIGHT= 4.288700D-01 (multi-body)
2849 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2850 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2851 EELLO= -1.861517E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2852 ETURN3= 1.888581E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2853 ETURN4= -2.256565E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2854 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2855 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2856 EDIHC= 0.000000E+00 (dihedral angle constraints)
2857 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2858 UCONST= 0.000000E+00 (Constraint energy)
2859 EDFAD= 2.377498-315 (DFA distance energy)
2860 EDFAT= 6.953299-310 (DFA torsion energy)
2861 EDFAN= 1.976263-323 (DFA NCa energy)
2862 EDFAB= 8.487983-314 (DFA Beta energy)
2863 ETOT= -8.662372E+01 (total)
2864 RMS deviation from the reference structure: 3.111
2865 % of native contacts: 25.000
2866 % of nonnative contacts: 82.353
2867 contact order: 0.345
2868 TM-score with the reference structure: 0.30
2871 Virtual-chain energies:
2873 EVDW= -5.101347E+01 WEIGHT= 1.352790D+00 (SC-SC)
2874 EVDW2= 4.224981E+01 WEIGHT= 1.593040D+00 (SC-p)
2875 EES= -8.685652E+01 WEIGHT= 7.153400D-01 (p-p)
2876 EVDWPP= -1.518843E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2877 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2878 EBE= -3.920431E+01 WEIGHT= 1.138730D+00 (bending)
2879 ESC= 4.612482E+01 WEIGHT= 1.625800D-01 (SC local)
2880 ETORS= 9.240450E+00 WEIGHT= 1.985990D+00 (torsional)
2881 ETORSD= -1.788013E+00 WEIGHT= 1.570690D+00 (double torsional)
2882 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2883 ECORR4= -6.546325E+01 WEIGHT= 4.288700D-01 (multi-body)
2884 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2885 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2886 EELLO= -1.115863E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2887 ETURN3= 1.800768E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2888 ETURN4= -3.042940E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2889 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2890 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2891 EDIHC= 0.000000E+00 (dihedral angle constraints)
2892 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2893 UCONST= 0.000000E+00 (Constraint energy)
2894 EDFAD= 2.377498-315 (DFA distance energy)
2895 EDFAT= 6.953299-310 (DFA torsion energy)
2896 EDFAN= 1.976263-323 (DFA NCa energy)
2897 EDFAB= 8.487983-314 (DFA Beta energy)
2898 ETOT= -8.705161E+01 (total)
2899 RMS deviation from the reference structure: 5.174
2900 % of native contacts: 33.333
2901 % of nonnative contacts: 80.000
2902 contact order: 0.300
2903 TM-score with the reference structure: 0.31
2906 Virtual-chain energies:
2908 EVDW= -5.270216E+01 WEIGHT= 1.352790D+00 (SC-SC)
2909 EVDW2= 5.502623E+01 WEIGHT= 1.593040D+00 (SC-p)
2910 EES= -1.136833E+02 WEIGHT= 7.153400D-01 (p-p)
2911 EVDWPP= -1.504464E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2912 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2913 EBE= -4.093748E+01 WEIGHT= 1.138730D+00 (bending)
2914 ESC= 3.996069E+01 WEIGHT= 1.625800D-01 (SC local)
2915 ETORS= 1.458980E+01 WEIGHT= 1.985990D+00 (torsional)
2916 ETORSD= -1.929053E+00 WEIGHT= 1.570690D+00 (double torsional)
2917 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2918 ECORR4= -8.308814E+01 WEIGHT= 4.288700D-01 (multi-body)
2919 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2920 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2921 EELLO= -1.665140E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2922 ETURN3= 1.893186E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2923 ETURN4= -1.541635E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
2924 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2925 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2926 EDIHC= 0.000000E+00 (dihedral angle constraints)
2927 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2928 UCONST= 0.000000E+00 (Constraint energy)
2929 EDFAD= 2.377498-315 (DFA distance energy)
2930 EDFAT= 6.953299-310 (DFA torsion energy)
2931 EDFAN= 1.976263-323 (DFA NCa energy)
2932 EDFAB= 8.487983-314 (DFA Beta energy)
2933 ETOT= -8.490450E+01 (total)
2934 RMS deviation from the reference structure: 3.061
2935 % of native contacts: 58.333
2936 % of nonnative contacts: 69.565
2937 contact order: 0.370
2938 TM-score with the reference structure: 0.31
2941 Virtual-chain energies:
2943 EVDW= -5.259977E+01 WEIGHT= 1.352790D+00 (SC-SC)
2944 EVDW2= 4.539541E+01 WEIGHT= 1.593040D+00 (SC-p)
2945 EES= -9.293977E+01 WEIGHT= 7.153400D-01 (p-p)
2946 EVDWPP= -2.529818E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2947 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2948 EBE= -4.174054E+01 WEIGHT= 1.138730D+00 (bending)
2949 ESC= 4.193149E+01 WEIGHT= 1.625800D-01 (SC local)
2950 ETORS= 1.110912E+01 WEIGHT= 1.985990D+00 (torsional)
2951 ETORSD= -9.892790E-02 WEIGHT= 1.570690D+00 (double torsional)
2952 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2953 ECORR4= -6.362778E+01 WEIGHT= 4.288700D-01 (multi-body)
2954 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2955 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2956 EELLO= -4.792442E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2957 ETURN3= 1.655890E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2958 ETURN4= 2.323397E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2959 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2960 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2961 EDIHC= 0.000000E+00 (dihedral angle constraints)
2962 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2963 UCONST= 0.000000E+00 (Constraint energy)
2964 EDFAD= 2.377498-315 (DFA distance energy)
2965 EDFAT= 6.953299-310 (DFA torsion energy)
2966 EDFAN= 1.976263-323 (DFA NCa energy)
2967 EDFAB= 8.487983-314 (DFA Beta energy)
2968 ETOT= -8.558597E+01 (total)
2969 RMS deviation from the reference structure: 3.729
2970 % of native contacts: 41.667
2971 % of nonnative contacts: 76.190
2972 contact order: 0.312
2973 TM-score with the reference structure: 0.27
2976 Virtual-chain energies:
2978 EVDW= -5.341259E+01 WEIGHT= 1.352790D+00 (SC-SC)
2979 EVDW2= 5.243750E+01 WEIGHT= 1.593040D+00 (SC-p)
2980 EES= -1.050400E+02 WEIGHT= 7.153400D-01 (p-p)
2981 EVDWPP= -2.565291E+01 WEIGHT= 1.137100D-01 (p-p VDW)
2982 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
2983 EBE= -3.714976E+01 WEIGHT= 1.138730D+00 (bending)
2984 ESC= 4.875606E+01 WEIGHT= 1.625800D-01 (SC local)
2985 ETORS= 8.727248E+00 WEIGHT= 1.985990D+00 (torsional)
2986 ETORSD= -4.808552E-01 WEIGHT= 1.570690D+00 (double torsional)
2987 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
2988 ECORR4= -7.774907E+01 WEIGHT= 4.288700D-01 (multi-body)
2989 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2990 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
2991 EELLO= -6.233483E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
2992 ETURN3= 1.861225E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
2993 ETURN4= -3.151986E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
2994 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
2995 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
2996 EDIHC= 0.000000E+00 (dihedral angle constraints)
2997 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
2998 UCONST= 0.000000E+00 (Constraint energy)
2999 EDFAD= 2.377498-315 (DFA distance energy)
3000 EDFAT= 6.953299-310 (DFA torsion energy)
3001 EDFAN= 1.976263-323 (DFA NCa energy)
3002 EDFAB= 8.487983-314 (DFA Beta energy)
3003 ETOT= -8.960553E+01 (total)
3004 RMS deviation from the reference structure: 2.212
3005 % of native contacts: 66.667
3006 % of nonnative contacts: 60.000
3007 contact order: 0.314
3008 TM-score with the reference structure: 0.31
3011 Virtual-chain energies:
3013 EVDW= -5.034279E+01 WEIGHT= 1.352790D+00 (SC-SC)
3014 EVDW2= 4.944940E+01 WEIGHT= 1.593040D+00 (SC-p)
3015 EES= -1.039190E+02 WEIGHT= 7.153400D-01 (p-p)
3016 EVDWPP= -1.890791E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3017 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3018 EBE= -4.181617E+01 WEIGHT= 1.138730D+00 (bending)
3019 ESC= 4.984292E+01 WEIGHT= 1.625800D-01 (SC local)
3020 ETORS= 1.106015E+01 WEIGHT= 1.985990D+00 (torsional)
3021 ETORSD= 1.023296E+00 WEIGHT= 1.570690D+00 (double torsional)
3022 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3023 ECORR4= -7.323077E+01 WEIGHT= 4.288700D-01 (multi-body)
3024 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3025 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3026 EELLO= -9.436839E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
3027 ETURN3= 1.777729E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3028 ETURN4= -3.457530E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3029 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3030 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3031 EDIHC= 0.000000E+00 (dihedral angle constraints)
3032 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3033 UCONST= 0.000000E+00 (Constraint energy)
3034 EDFAD= 2.377498-315 (DFA distance energy)
3035 EDFAT= 6.953299-310 (DFA torsion energy)
3036 EDFAN= 1.976263-323 (DFA NCa energy)
3037 EDFAB= 8.487983-314 (DFA Beta energy)
3038 ETOT= -8.561058E+01 (total)
3039 RMS deviation from the reference structure: 4.041
3040 % of native contacts: 33.333
3041 % of nonnative contacts: 80.000
3042 contact order: 0.261
3043 TM-score with the reference structure: 0.31
3046 Virtual-chain energies:
3048 EVDW= -5.208551E+01 WEIGHT= 1.352790D+00 (SC-SC)
3049 EVDW2= 5.149299E+01 WEIGHT= 1.593040D+00 (SC-p)
3050 EES= -1.046038E+02 WEIGHT= 7.153400D-01 (p-p)
3051 EVDWPP= -2.534726E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3052 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3053 EBE= -3.622361E+01 WEIGHT= 1.138730D+00 (bending)
3054 ESC= 4.707095E+01 WEIGHT= 1.625800D-01 (SC local)
3055 ETORS= 9.153770E+00 WEIGHT= 1.985990D+00 (torsional)
3056 ETORSD= -4.547304E-01 WEIGHT= 1.570690D+00 (double torsional)
3057 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3058 ECORR4= -7.751404E+01 WEIGHT= 4.288700D-01 (multi-body)
3059 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3060 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3061 EELLO= -6.090237E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3062 ETURN3= 1.859780E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3063 ETURN4= -3.169544E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3064 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3065 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3066 EDIHC= 0.000000E+00 (dihedral angle constraints)
3067 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3068 UCONST= 0.000000E+00 (Constraint energy)
3069 EDFAD= 2.377498-315 (DFA distance energy)
3070 EDFAT= 6.953299-310 (DFA torsion energy)
3071 EDFAN= 1.976263-323 (DFA NCa energy)
3072 EDFAB= 8.487983-314 (DFA Beta energy)
3073 ETOT= -8.721159E+01 (total)
3074 RMS deviation from the reference structure: 2.044
3075 % of native contacts: 66.667
3076 % of nonnative contacts: 57.895
3077 contact order: 0.289
3078 TM-score with the reference structure: 0.31
3081 Virtual-chain energies:
3083 EVDW= -5.396710E+01 WEIGHT= 1.352790D+00 (SC-SC)
3084 EVDW2= 5.114453E+01 WEIGHT= 1.593040D+00 (SC-p)
3085 EES= -1.000221E+02 WEIGHT= 7.153400D-01 (p-p)
3086 EVDWPP= -2.232146E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3087 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3088 EBE= -3.899395E+01 WEIGHT= 1.138730D+00 (bending)
3089 ESC= 6.074422E+01 WEIGHT= 1.625800D-01 (SC local)
3090 ETORS= 8.985936E+00 WEIGHT= 1.985990D+00 (torsional)
3091 ETORSD= -1.963429E+00 WEIGHT= 1.570690D+00 (double torsional)
3092 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3093 ECORR4= -7.628831E+01 WEIGHT= 4.288700D-01 (multi-body)
3094 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3095 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3096 EELLO= 2.874707E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3097 ETURN3= 1.922630E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3098 ETURN4= -1.775761E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3099 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3100 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3101 EDIHC= 0.000000E+00 (dihedral angle constraints)
3102 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3103 UCONST= 0.000000E+00 (Constraint energy)
3104 EDFAD= 2.377498-315 (DFA distance energy)
3105 EDFAT= 6.953299-310 (DFA torsion energy)
3106 EDFAN= 1.976263-323 (DFA NCa energy)
3107 EDFAB= 8.487983-314 (DFA Beta energy)
3108 ETOT= -8.637846E+01 (total)
3109 RMS deviation from the reference structure: 5.517
3110 % of native contacts: 33.333
3111 % of nonnative contacts: 80.000
3112 contact order: 0.230
3113 TM-score with the reference structure: 0.29
3116 Virtual-chain energies:
3118 EVDW= -4.967079E+01 WEIGHT= 1.352790D+00 (SC-SC)
3119 EVDW2= 4.575443E+01 WEIGHT= 1.593040D+00 (SC-p)
3120 EES= -9.058588E+01 WEIGHT= 7.153400D-01 (p-p)
3121 EVDWPP= -1.802426E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3122 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3123 EBE= -3.814456E+01 WEIGHT= 1.138730D+00 (bending)
3124 ESC= 3.798496E+01 WEIGHT= 1.625800D-01 (SC local)
3125 ETORS= 8.347573E+00 WEIGHT= 1.985990D+00 (torsional)
3126 ETORSD= -2.343764E+00 WEIGHT= 1.570690D+00 (double torsional)
3127 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3128 ECORR4= -6.813979E+01 WEIGHT= 4.288700D-01 (multi-body)
3129 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3130 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3131 EELLO= -4.057028E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3132 ETURN3= 1.857192E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3133 ETURN4= -1.560471E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3134 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3135 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3136 EDIHC= 0.000000E+00 (dihedral angle constraints)
3137 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3138 UCONST= 0.000000E+00 (Constraint energy)
3139 EDFAD= 2.377498-315 (DFA distance energy)
3140 EDFAT= 6.953299-310 (DFA torsion energy)
3141 EDFAN= 1.976263-323 (DFA NCa energy)
3142 EDFAB= 8.487983-314 (DFA Beta energy)
3143 ETOT= -8.509093E+01 (total)
3144 RMS deviation from the reference structure: 6.810
3145 % of native contacts: 25.000
3146 % of nonnative contacts: 83.333
3147 contact order: 0.255
3148 TM-score with the reference structure: 0.29
3151 Virtual-chain energies:
3153 EVDW= -5.383915E+01 WEIGHT= 1.352790D+00 (SC-SC)
3154 EVDW2= 5.041238E+01 WEIGHT= 1.593040D+00 (SC-p)
3155 EES= -1.015157E+02 WEIGHT= 7.153400D-01 (p-p)
3156 EVDWPP= -2.501228E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3157 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3158 EBE= -3.771482E+01 WEIGHT= 1.138730D+00 (bending)
3159 ESC= 5.189952E+01 WEIGHT= 1.625800D-01 (SC local)
3160 ETORS= 8.859201E+00 WEIGHT= 1.985990D+00 (torsional)
3161 ETORSD= -4.275747E-01 WEIGHT= 1.570690D+00 (double torsional)
3162 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3163 ECORR4= -7.620821E+01 WEIGHT= 4.288700D-01 (multi-body)
3164 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3165 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3166 EELLO= -4.821808E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3167 ETURN3= 1.794369E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3168 ETURN4= -3.240178E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3169 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3170 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3171 EDIHC= 0.000000E+00 (dihedral angle constraints)
3172 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3173 UCONST= 0.000000E+00 (Constraint energy)
3174 EDFAD= 2.377498-315 (DFA distance energy)
3175 EDFAT= 6.953299-310 (DFA torsion energy)
3176 EDFAN= 1.976263-323 (DFA NCa energy)
3177 EDFAB= 8.487983-314 (DFA Beta energy)
3178 ETOT= -9.090062E+01 (total)
3179 RMS deviation from the reference structure: 2.049
3180 % of native contacts: 75.000
3181 % of nonnative contacts: 57.143
3182 contact order: 0.314
3183 TM-score with the reference structure: 0.31
3186 Virtual-chain energies:
3188 EVDW= -5.496481E+01 WEIGHT= 1.352790D+00 (SC-SC)
3189 EVDW2= 4.737491E+01 WEIGHT= 1.593040D+00 (SC-p)
3190 EES= -8.628890E+01 WEIGHT= 7.153400D-01 (p-p)
3191 EVDWPP= -3.645449E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3192 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3193 EBE= -3.798832E+01 WEIGHT= 1.138730D+00 (bending)
3194 ESC= 4.645862E+01 WEIGHT= 1.625800D-01 (SC local)
3195 ETORS= 1.100795E+01 WEIGHT= 1.985990D+00 (torsional)
3196 ETORSD= -4.124846E+00 WEIGHT= 1.570690D+00 (double torsional)
3197 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3198 ECORR4= -6.695103E+01 WEIGHT= 4.288700D-01 (multi-body)
3199 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3200 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3201 EELLO= -2.140409E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3202 ETURN3= 1.548896E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3203 ETURN4= 3.138644E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3204 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3205 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3206 EDIHC= 0.000000E+00 (dihedral angle constraints)
3207 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3208 UCONST= 0.000000E+00 (Constraint energy)
3209 EDFAD= 2.377498-315 (DFA distance energy)
3210 EDFAT= 6.953299-310 (DFA torsion energy)
3211 EDFAN= 1.976263-323 (DFA NCa energy)
3212 EDFAB= 8.487983-314 (DFA Beta energy)
3213 ETOT= -8.592375E+01 (total)
3214 RMS deviation from the reference structure: 3.788
3215 % of native contacts: 41.667
3216 % of nonnative contacts: 78.261
3217 contact order: 0.312
3218 TM-score with the reference structure: 0.25
3221 Virtual-chain energies:
3223 EVDW= -5.151664E+01 WEIGHT= 1.352790D+00 (SC-SC)
3224 EVDW2= 5.153803E+01 WEIGHT= 1.593040D+00 (SC-p)
3225 EES= -1.001693E+02 WEIGHT= 7.153400D-01 (p-p)
3226 EVDWPP= -2.837908E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3227 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3228 EBE= -3.828985E+01 WEIGHT= 1.138730D+00 (bending)
3229 ESC= 3.395915E+01 WEIGHT= 1.625800D-01 (SC local)
3230 ETORS= 8.660519E+00 WEIGHT= 1.985990D+00 (torsional)
3231 ETORSD= 1.218462E+00 WEIGHT= 1.570690D+00 (double torsional)
3232 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3233 ECORR4= -7.406696E+01 WEIGHT= 4.288700D-01 (multi-body)
3234 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3235 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3236 EELLO= -5.610702E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3237 ETURN3= 1.647880E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3238 ETURN4= -4.451235E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3239 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3240 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3241 EDIHC= 0.000000E+00 (dihedral angle constraints)
3242 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3243 UCONST= 0.000000E+00 (Constraint energy)
3244 EDFAD= 2.377498-315 (DFA distance energy)
3245 EDFAT= 6.953299-310 (DFA torsion energy)
3246 EDFAN= 1.976263-323 (DFA NCa energy)
3247 EDFAB= 8.487983-314 (DFA Beta energy)
3248 ETOT= -8.924784E+01 (total)
3249 RMS deviation from the reference structure: 3.027
3250 % of native contacts: 41.667
3251 % of nonnative contacts: 76.190
3252 contact order: 0.323
3253 TM-score with the reference structure: 0.32
3256 Virtual-chain energies:
3258 EVDW= -5.210645E+01 WEIGHT= 1.352790D+00 (SC-SC)
3259 EVDW2= 4.846967E+01 WEIGHT= 1.593040D+00 (SC-p)
3260 EES= -9.843126E+01 WEIGHT= 7.153400D-01 (p-p)
3261 EVDWPP= -2.025809E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3262 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3263 EBE= -3.642634E+01 WEIGHT= 1.138730D+00 (bending)
3264 ESC= 5.606863E+01 WEIGHT= 1.625800D-01 (SC local)
3265 ETORS= 1.144373E+01 WEIGHT= 1.985990D+00 (torsional)
3266 ETORSD= -1.792171E+00 WEIGHT= 1.570690D+00 (double torsional)
3267 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3268 ECORR4= -7.031345E+01 WEIGHT= 4.288700D-01 (multi-body)
3269 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3270 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3271 EELLO= -2.755679E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3272 ETURN3= 1.642108E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3273 ETURN4= -3.239959E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3274 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3275 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3276 EDIHC= 0.000000E+00 (dihedral angle constraints)
3277 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3278 UCONST= 0.000000E+00 (Constraint energy)
3279 EDFAD= 2.377498-315 (DFA distance energy)
3280 EDFAT= 6.953299-310 (DFA torsion energy)
3281 EDFAN= 1.976263-323 (DFA NCa energy)
3282 EDFAB= 8.487983-314 (DFA Beta energy)
3283 ETOT= -8.347934E+01 (total)
3284 RMS deviation from the reference structure: 3.861
3285 % of native contacts: 33.333
3286 % of nonnative contacts: 78.947
3287 contact order: 0.285
3288 TM-score with the reference structure: 0.27
3291 Virtual-chain energies:
3293 EVDW= -5.659903E+01 WEIGHT= 1.352790D+00 (SC-SC)
3294 EVDW2= 5.510575E+01 WEIGHT= 1.593040D+00 (SC-p)
3295 EES= -1.109343E+02 WEIGHT= 7.153400D-01 (p-p)
3296 EVDWPP= -2.466897E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3297 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3298 EBE= -3.977390E+01 WEIGHT= 1.138730D+00 (bending)
3299 ESC= 4.986767E+01 WEIGHT= 1.625800D-01 (SC local)
3300 ETORS= 1.305861E+01 WEIGHT= 1.985990D+00 (torsional)
3301 ETORSD= -1.570175E+00 WEIGHT= 1.570690D+00 (double torsional)
3302 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3303 ECORR4= -8.425735E+01 WEIGHT= 4.288700D-01 (multi-body)
3304 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3305 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3306 EELLO= -2.296543E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3307 ETURN3= 1.984228E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3308 ETURN4= -5.540303E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
3309 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3310 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3311 EDIHC= 0.000000E+00 (dihedral angle constraints)
3312 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3313 UCONST= 0.000000E+00 (Constraint energy)
3314 EDFAD= 2.377498-315 (DFA distance energy)
3315 EDFAT= 6.953299-310 (DFA torsion energy)
3316 EDFAN= 1.976263-323 (DFA NCa energy)
3317 EDFAB= 8.487983-314 (DFA Beta energy)
3318 ETOT= -8.805042E+01 (total)
3319 RMS deviation from the reference structure: 2.700
3320 % of native contacts: 50.000
3321 % of nonnative contacts: 70.000
3322 contact order: 0.332
3323 TM-score with the reference structure: 0.30
3326 Virtual-chain energies:
3328 EVDW= -5.216496E+01 WEIGHT= 1.352790D+00 (SC-SC)
3329 EVDW2= 4.605411E+01 WEIGHT= 1.593040D+00 (SC-p)
3330 EES= -9.915445E+01 WEIGHT= 7.153400D-01 (p-p)
3331 EVDWPP= -1.863289E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3332 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3333 EBE= -3.764325E+01 WEIGHT= 1.138730D+00 (bending)
3334 ESC= 3.729499E+01 WEIGHT= 1.625800D-01 (SC local)
3335 ETORS= 9.456769E+00 WEIGHT= 1.985990D+00 (torsional)
3336 ETORSD= -5.866466E-01 WEIGHT= 1.570690D+00 (double torsional)
3337 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3338 ECORR4= -7.196981E+01 WEIGHT= 4.288700D-01 (multi-body)
3339 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3340 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3341 EELLO= -3.968120E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3342 ETURN3= 2.051695E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3343 ETURN4= -2.749466E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3344 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3345 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3346 EDIHC= 0.000000E+00 (dihedral angle constraints)
3347 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3348 UCONST= 0.000000E+00 (Constraint energy)
3349 EDFAD= 2.377498-315 (DFA distance energy)
3350 EDFAT= 6.953299-310 (DFA torsion energy)
3351 EDFAN= 1.976263-323 (DFA NCa energy)
3352 EDFAB= 8.487983-314 (DFA Beta energy)
3353 ETOT= -8.789894E+01 (total)
3354 RMS deviation from the reference structure: 3.018
3355 % of native contacts: 33.333
3356 % of nonnative contacts: 78.947
3357 contact order: 0.318
3358 TM-score with the reference structure: 0.31
3361 Virtual-chain energies:
3363 EVDW= -5.071209E+01 WEIGHT= 1.352790D+00 (SC-SC)
3364 EVDW2= 4.534102E+01 WEIGHT= 1.593040D+00 (SC-p)
3365 EES= -8.866042E+01 WEIGHT= 7.153400D-01 (p-p)
3366 EVDWPP= -1.940076E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3367 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3368 EBE= -3.866066E+01 WEIGHT= 1.138730D+00 (bending)
3369 ESC= 4.522198E+01 WEIGHT= 1.625800D-01 (SC local)
3370 ETORS= 7.788584E+00 WEIGHT= 1.985990D+00 (torsional)
3371 ETORSD= -2.193343E+00 WEIGHT= 1.570690D+00 (double torsional)
3372 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3373 ECORR4= -6.683127E+01 WEIGHT= 4.288700D-01 (multi-body)
3374 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3375 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3376 EELLO= -4.065925E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3377 ETURN3= 1.787544E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3378 ETURN4= -1.817374E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3379 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3380 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3381 EDIHC= 0.000000E+00 (dihedral angle constraints)
3382 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3383 UCONST= 0.000000E+00 (Constraint energy)
3384 EDFAD= 2.377498-315 (DFA distance energy)
3385 EDFAT= 6.953299-310 (DFA torsion energy)
3386 EDFAN= 1.976263-323 (DFA NCa energy)
3387 EDFAB= 8.487983-314 (DFA Beta energy)
3388 ETOT= -8.700782E+01 (total)
3389 RMS deviation from the reference structure: 6.747
3390 % of native contacts: 25.000
3391 % of nonnative contacts: 81.250
3392 contact order: 0.250
3393 TM-score with the reference structure: 0.29
3396 Virtual-chain energies:
3398 EVDW= -5.146637E+01 WEIGHT= 1.352790D+00 (SC-SC)
3399 EVDW2= 5.203013E+01 WEIGHT= 1.593040D+00 (SC-p)
3400 EES= -9.715987E+01 WEIGHT= 7.153400D-01 (p-p)
3401 EVDWPP= -3.629945E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3402 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3403 EBE= -3.906384E+01 WEIGHT= 1.138730D+00 (bending)
3404 ESC= 3.600508E+01 WEIGHT= 1.625800D-01 (SC local)
3405 ETORS= 1.031974E+01 WEIGHT= 1.985990D+00 (torsional)
3406 ETORSD= -2.479449E+00 WEIGHT= 1.570690D+00 (double torsional)
3407 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3408 ECORR4= -7.306675E+01 WEIGHT= 4.288700D-01 (multi-body)
3409 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3410 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3411 EELLO= -2.842031E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3412 ETURN3= 1.622558E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3413 ETURN4= 1.432367E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3414 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3415 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3416 EDIHC= 0.000000E+00 (dihedral angle constraints)
3417 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3418 UCONST= 0.000000E+00 (Constraint energy)
3419 EDFAD= 2.377498-315 (DFA distance energy)
3420 EDFAT= 6.953299-310 (DFA torsion energy)
3421 EDFAN= 1.976263-323 (DFA NCa energy)
3422 EDFAB= 8.487983-314 (DFA Beta energy)
3423 ETOT= -8.586317E+01 (total)
3424 RMS deviation from the reference structure: 3.982
3425 % of native contacts: 16.667
3426 % of nonnative contacts: 88.889
3427 contact order: 0.270
3428 TM-score with the reference structure: 0.28
3431 Virtual-chain energies:
3433 EVDW= -5.303225E+01 WEIGHT= 1.352790D+00 (SC-SC)
3434 EVDW2= 4.180237E+01 WEIGHT= 1.593040D+00 (SC-p)
3435 EES= -7.717027E+01 WEIGHT= 7.153400D-01 (p-p)
3436 EVDWPP= -2.519154E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3437 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3438 EBE= -3.811725E+01 WEIGHT= 1.138730D+00 (bending)
3439 ESC= 4.025352E+01 WEIGHT= 1.625800D-01 (SC local)
3440 ETORS= 8.394771E+00 WEIGHT= 1.985990D+00 (torsional)
3441 ETORSD= -1.470878E+00 WEIGHT= 1.570690D+00 (double torsional)
3442 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3443 ECORR4= -5.620988E+01 WEIGHT= 4.288700D-01 (multi-body)
3444 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3445 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3446 EELLO= 2.533016E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3447 ETURN3= 1.420578E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3448 ETURN4= -3.014147E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3449 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3450 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3451 EDIHC= 0.000000E+00 (dihedral angle constraints)
3452 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3453 UCONST= 0.000000E+00 (Constraint energy)
3454 EDFAD= 2.377498-315 (DFA distance energy)
3455 EDFAT= 6.953299-310 (DFA torsion energy)
3456 EDFAN= 1.976263-323 (DFA NCa energy)
3457 EDFAB= 8.487983-314 (DFA Beta energy)
3458 ETOT= -8.744387E+01 (total)
3459 RMS deviation from the reference structure: 4.453
3460 % of native contacts: 16.667
3461 % of nonnative contacts: 90.476
3462 contact order: 0.422
3463 TM-score with the reference structure: 0.30
3466 Virtual-chain energies:
3468 EVDW= -5.226601E+01 WEIGHT= 1.352790D+00 (SC-SC)
3469 EVDW2= 4.745793E+01 WEIGHT= 1.593040D+00 (SC-p)
3470 EES= -9.028932E+01 WEIGHT= 7.153400D-01 (p-p)
3471 EVDWPP= -2.597462E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3472 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3473 EBE= -3.931164E+01 WEIGHT= 1.138730D+00 (bending)
3474 ESC= 4.317454E+01 WEIGHT= 1.625800D-01 (SC local)
3475 ETORS= 8.154073E+00 WEIGHT= 1.985990D+00 (torsional)
3476 ETORSD= -1.785140E+00 WEIGHT= 1.570690D+00 (double torsional)
3477 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3478 ECORR4= -6.515563E+01 WEIGHT= 4.288700D-01 (multi-body)
3479 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3480 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3481 EELLO= -7.982674E-02 WEIGHT= 1.603600D-01 (electrostatic-local)
3482 ETURN3= 1.776965E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3483 ETURN4= 1.350821E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3484 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3485 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3486 EDIHC= 0.000000E+00 (dihedral angle constraints)
3487 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3488 UCONST= 0.000000E+00 (Constraint energy)
3489 EDFAD= 2.377498-315 (DFA distance energy)
3490 EDFAT= 6.953299-310 (DFA torsion energy)
3491 EDFAN= 1.976263-323 (DFA NCa energy)
3492 EDFAB= 8.487983-314 (DFA Beta energy)
3493 ETOT= -8.407985E+01 (total)
3494 RMS deviation from the reference structure: 4.627
3495 % of native contacts: 41.667
3496 % of nonnative contacts: 75.000
3497 contact order: 0.366
3498 TM-score with the reference structure: 0.30
3501 Virtual-chain energies:
3503 EVDW= -5.305504E+01 WEIGHT= 1.352790D+00 (SC-SC)
3504 EVDW2= 4.040257E+01 WEIGHT= 1.593040D+00 (SC-p)
3505 EES= -7.338760E+01 WEIGHT= 7.153400D-01 (p-p)
3506 EVDWPP= -2.906528E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3507 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3508 EBE= -3.507829E+01 WEIGHT= 1.138730D+00 (bending)
3509 ESC= 3.942963E+01 WEIGHT= 1.625800D-01 (SC local)
3510 ETORS= 5.760565E+00 WEIGHT= 1.985990D+00 (torsional)
3511 ETORSD= -7.554845E-01 WEIGHT= 1.570690D+00 (double torsional)
3512 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3513 ECORR4= -5.481652E+01 WEIGHT= 4.288700D-01 (multi-body)
3514 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3515 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3516 EELLO= -1.535032E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3517 ETURN3= 1.537199E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3518 ETURN4= -6.138054E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
3519 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3520 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3521 EDIHC= 0.000000E+00 (dihedral angle constraints)
3522 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3523 UCONST= 0.000000E+00 (Constraint energy)
3524 EDFAD= 2.377498-315 (DFA distance energy)
3525 EDFAT= 6.953299-310 (DFA torsion energy)
3526 EDFAN= 1.976263-323 (DFA NCa energy)
3527 EDFAB= 8.487983-314 (DFA Beta energy)
3528 ETOT= -8.471788E+01 (total)
3529 RMS deviation from the reference structure: 6.453
3530 % of native contacts: 33.333
3531 % of nonnative contacts: 80.000
3532 contact order: 0.259
3533 TM-score with the reference structure: 0.26
3536 Virtual-chain energies:
3538 EVDW= -5.158367E+01 WEIGHT= 1.352790D+00 (SC-SC)
3539 EVDW2= 3.240439E+01 WEIGHT= 1.593040D+00 (SC-p)
3540 EES= -5.123474E+01 WEIGHT= 7.153400D-01 (p-p)
3541 EVDWPP= -3.257753E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3542 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3543 EBE= -3.959975E+01 WEIGHT= 1.138730D+00 (bending)
3544 ESC= 3.889836E+01 WEIGHT= 1.625800D-01 (SC local)
3545 ETORS= 5.591493E+00 WEIGHT= 1.985990D+00 (torsional)
3546 ETORSD= 2.569912E-01 WEIGHT= 1.570690D+00 (double torsional)
3547 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3548 ECORR4= -3.446822E+01 WEIGHT= 4.288700D-01 (multi-body)
3549 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3550 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3551 EELLO= 1.747152E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
3552 ETURN3= 1.036650E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3553 ETURN4= -3.305997E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3554 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3555 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3556 EDIHC= 0.000000E+00 (dihedral angle constraints)
3557 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3558 UCONST= 0.000000E+00 (Constraint energy)
3559 EDFAD= 2.377498-315 (DFA distance energy)
3560 EDFAT= 6.953299-310 (DFA torsion energy)
3561 EDFAN= 1.976263-323 (DFA NCa energy)
3562 EDFAB= 8.487983-314 (DFA Beta energy)
3563 ETOT= -8.522942E+01 (total)
3564 RMS deviation from the reference structure: 6.253
3565 % of native contacts: 16.667
3566 % of nonnative contacts: 87.500
3567 contact order: 0.327
3568 TM-score with the reference structure: 0.23
3571 Virtual-chain energies:
3573 EVDW= -5.325986E+01 WEIGHT= 1.352790D+00 (SC-SC)
3574 EVDW2= 4.708790E+01 WEIGHT= 1.593040D+00 (SC-p)
3575 EES= -8.977202E+01 WEIGHT= 7.153400D-01 (p-p)
3576 EVDWPP= -2.956612E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3577 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3578 EBE= -3.744818E+01 WEIGHT= 1.138730D+00 (bending)
3579 ESC= 4.796436E+01 WEIGHT= 1.625800D-01 (SC local)
3580 ETORS= 7.045309E+00 WEIGHT= 1.985990D+00 (torsional)
3581 ETORSD= 3.122536E-01 WEIGHT= 1.570690D+00 (double torsional)
3582 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3583 ECORR4= -6.800401E+01 WEIGHT= 4.288700D-01 (multi-body)
3584 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3585 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3586 EELLO= -4.444968E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3587 ETURN3= 1.585685E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3588 ETURN4= -1.832670E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3589 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3590 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3591 EDIHC= 0.000000E+00 (dihedral angle constraints)
3592 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3593 UCONST= 0.000000E+00 (Constraint energy)
3594 EDFAD= 2.377498-315 (DFA distance energy)
3595 EDFAT= 6.953299-310 (DFA torsion energy)
3596 EDFAN= 1.976263-323 (DFA NCa energy)
3597 EDFAB= 8.487983-314 (DFA Beta energy)
3598 ETOT= -8.931639E+01 (total)
3599 RMS deviation from the reference structure: 3.239
3600 % of native contacts: 66.667
3601 % of nonnative contacts: 61.905
3602 contact order: 0.264
3603 TM-score with the reference structure: 0.31
3606 Virtual-chain energies:
3608 EVDW= -5.545603E+01 WEIGHT= 1.352790D+00 (SC-SC)
3609 EVDW2= 5.332995E+01 WEIGHT= 1.593040D+00 (SC-p)
3610 EES= -9.803467E+01 WEIGHT= 7.153400D-01 (p-p)
3611 EVDWPP= -3.502618E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3612 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3613 EBE= -3.879956E+01 WEIGHT= 1.138730D+00 (bending)
3614 ESC= 5.383543E+01 WEIGHT= 1.625800D-01 (SC local)
3615 ETORS= 1.130222E+01 WEIGHT= 1.985990D+00 (torsional)
3616 ETORSD= -3.385511E+00 WEIGHT= 1.570690D+00 (double torsional)
3617 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3618 ECORR4= -7.478531E+01 WEIGHT= 4.288700D-01 (multi-body)
3619 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3620 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3621 EELLO= -6.288538E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3622 ETURN3= 1.634838E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3623 ETURN4= 1.152510E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3624 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3625 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3626 EDIHC= 0.000000E+00 (dihedral angle constraints)
3627 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3628 UCONST= 0.000000E+00 (Constraint energy)
3629 EDFAD= 2.377498-315 (DFA distance energy)
3630 EDFAT= 6.953299-310 (DFA torsion energy)
3631 EDFAN= 1.976263-323 (DFA NCa energy)
3632 EDFAB= 8.487983-314 (DFA Beta energy)
3633 ETOT= -8.721071E+01 (total)
3634 RMS deviation from the reference structure: 2.819
3635 % of native contacts: 58.333
3636 % of nonnative contacts: 72.000
3637 contact order: 0.373
3638 TM-score with the reference structure: 0.29
3641 Virtual-chain energies:
3643 EVDW= -5.022969E+01 WEIGHT= 1.352790D+00 (SC-SC)
3644 EVDW2= 4.036407E+01 WEIGHT= 1.593040D+00 (SC-p)
3645 EES= -7.829833E+01 WEIGHT= 7.153400D-01 (p-p)
3646 EVDWPP= -2.089905E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3647 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3648 EBE= -3.855311E+01 WEIGHT= 1.138730D+00 (bending)
3649 ESC= 3.318211E+01 WEIGHT= 1.625800D-01 (SC local)
3650 ETORS= 9.760399E+00 WEIGHT= 1.985990D+00 (torsional)
3651 ETORSD= -2.229435E+00 WEIGHT= 1.570690D+00 (double torsional)
3652 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3653 ECORR4= -5.963526E+01 WEIGHT= 4.288700D-01 (multi-body)
3654 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3655 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3656 EELLO= 1.840771E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3657 ETURN3= 1.489785E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3658 ETURN4= -2.095050E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3659 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3660 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3661 EDIHC= 0.000000E+00 (dihedral angle constraints)
3662 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3663 UCONST= 0.000000E+00 (Constraint energy)
3664 EDFAD= 2.377498-315 (DFA distance energy)
3665 EDFAT= 6.953299-310 (DFA torsion energy)
3666 EDFAN= 1.976263-323 (DFA NCa energy)
3667 EDFAB= 8.487983-314 (DFA Beta energy)
3668 ETOT= -8.619171E+01 (total)
3669 RMS deviation from the reference structure: 4.543
3670 % of native contacts: 16.667
3671 % of nonnative contacts: 86.667
3672 contact order: 0.412
3673 TM-score with the reference structure: 0.31
3676 Virtual-chain energies:
3678 EVDW= -5.430907E+01 WEIGHT= 1.352790D+00 (SC-SC)
3679 EVDW2= 4.861544E+01 WEIGHT= 1.593040D+00 (SC-p)
3680 EES= -1.005784E+02 WEIGHT= 7.153400D-01 (p-p)
3681 EVDWPP= -2.347644E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3682 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3683 EBE= -4.130772E+01 WEIGHT= 1.138730D+00 (bending)
3684 ESC= 3.868964E+01 WEIGHT= 1.625800D-01 (SC local)
3685 ETORS= 1.244286E+01 WEIGHT= 1.985990D+00 (torsional)
3686 ETORSD= -9.433540E-01 WEIGHT= 1.570690D+00 (double torsional)
3687 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3688 ECORR4= -7.559535E+01 WEIGHT= 4.288700D-01 (multi-body)
3689 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3690 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3691 EELLO= -1.314296E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3692 ETURN3= 1.985140E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3693 ETURN4= 4.991208E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
3694 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3695 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3696 EDIHC= 0.000000E+00 (dihedral angle constraints)
3697 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3698 UCONST= 0.000000E+00 (Constraint energy)
3699 EDFAD= 2.377498-315 (DFA distance energy)
3700 EDFAT= 6.953299-310 (DFA torsion energy)
3701 EDFAN= 1.976263-323 (DFA NCa energy)
3702 EDFAB= 8.487983-314 (DFA Beta energy)
3703 ETOT= -8.696527E+01 (total)
3704 RMS deviation from the reference structure: 2.418
3705 % of native contacts: 50.000
3706 % of nonnative contacts: 70.000
3707 contact order: 0.305
3708 TM-score with the reference structure: 0.34
3711 Virtual-chain energies:
3713 EVDW= -5.724607E+01 WEIGHT= 1.352790D+00 (SC-SC)
3714 EVDW2= 5.144379E+01 WEIGHT= 1.593040D+00 (SC-p)
3715 EES= -9.716258E+01 WEIGHT= 7.153400D-01 (p-p)
3716 EVDWPP= -2.743801E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3717 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3718 EBE= -3.757445E+01 WEIGHT= 1.138730D+00 (bending)
3719 ESC= 4.796479E+01 WEIGHT= 1.625800D-01 (SC local)
3720 ETORS= 1.260098E+01 WEIGHT= 1.985990D+00 (torsional)
3721 ETORSD= -2.875657E+00 WEIGHT= 1.570690D+00 (double torsional)
3722 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3723 ECORR4= -7.403380E+01 WEIGHT= 4.288700D-01 (multi-body)
3724 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3725 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3726 EELLO= -7.543811E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3727 ETURN3= 1.718962E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3728 ETURN4= -2.812283E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3729 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3730 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3731 EDIHC= 0.000000E+00 (dihedral angle constraints)
3732 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3733 UCONST= 0.000000E+00 (Constraint energy)
3734 EDFAD= 2.377498-315 (DFA distance energy)
3735 EDFAT= 6.953299-310 (DFA torsion energy)
3736 EDFAN= 1.976263-323 (DFA NCa energy)
3737 EDFAB= 8.487983-314 (DFA Beta energy)
3738 ETOT= -8.841506E+01 (total)
3739 RMS deviation from the reference structure: 3.317
3740 % of native contacts: 33.333
3741 % of nonnative contacts: 78.947
3742 contact order: 0.354
3743 TM-score with the reference structure: 0.29
3746 Virtual-chain energies:
3748 EVDW= -5.535102E+01 WEIGHT= 1.352790D+00 (SC-SC)
3749 EVDW2= 4.839147E+01 WEIGHT= 1.593040D+00 (SC-p)
3750 EES= -9.759182E+01 WEIGHT= 7.153400D-01 (p-p)
3751 EVDWPP= -1.979414E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3752 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3753 EBE= -3.837419E+01 WEIGHT= 1.138730D+00 (bending)
3754 ESC= 6.252031E+01 WEIGHT= 1.625800D-01 (SC local)
3755 ETORS= 8.699366E+00 WEIGHT= 1.985990D+00 (torsional)
3756 ETORSD= -4.487028E-01 WEIGHT= 1.570690D+00 (double torsional)
3757 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3758 ECORR4= -7.327378E+01 WEIGHT= 4.288700D-01 (multi-body)
3759 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3760 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3761 EELLO= -3.023825E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3762 ETURN3= 1.939267E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3763 ETURN4= -3.329013E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3764 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3765 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3766 EDIHC= 0.000000E+00 (dihedral angle constraints)
3767 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3768 UCONST= 0.000000E+00 (Constraint energy)
3769 EDFAD= 2.377498-315 (DFA distance energy)
3770 EDFAT= 6.953299-310 (DFA torsion energy)
3771 EDFAN= 1.976263-323 (DFA NCa energy)
3772 EDFAB= 8.487983-314 (DFA Beta energy)
3773 ETOT= -8.820701E+01 (total)
3774 RMS deviation from the reference structure: 6.768
3775 % of native contacts: 33.333
3776 % of nonnative contacts: 78.947
3777 contact order: 0.239
3778 TM-score with the reference structure: 0.30
3781 Virtual-chain energies:
3783 EVDW= -5.143498E+01 WEIGHT= 1.352790D+00 (SC-SC)
3784 EVDW2= 5.330982E+01 WEIGHT= 1.593040D+00 (SC-p)
3785 EES= -1.094946E+02 WEIGHT= 7.153400D-01 (p-p)
3786 EVDWPP= -2.933253E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3787 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3788 EBE= -3.827663E+01 WEIGHT= 1.138730D+00 (bending)
3789 ESC= 4.515099E+01 WEIGHT= 1.625800D-01 (SC local)
3790 ETORS= 1.127804E+01 WEIGHT= 1.985990D+00 (torsional)
3791 ETORSD= -8.212433E-01 WEIGHT= 1.570690D+00 (double torsional)
3792 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3793 ECORR4= -8.108389E+01 WEIGHT= 4.288700D-01 (multi-body)
3794 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3795 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3796 EELLO= -4.450921E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3797 ETURN3= 1.904729E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3798 ETURN4= -2.458334E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3799 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3800 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3801 EDIHC= 0.000000E+00 (dihedral angle constraints)
3802 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3803 UCONST= 0.000000E+00 (Constraint energy)
3804 EDFAD= 2.377498-315 (DFA distance energy)
3805 EDFAT= 6.953299-310 (DFA torsion energy)
3806 EDFAN= 1.976263-323 (DFA NCa energy)
3807 EDFAB= 8.487983-314 (DFA Beta energy)
3808 ETOT= -8.643466E+01 (total)
3809 RMS deviation from the reference structure: 2.882
3810 % of native contacts: 25.000
3811 % of nonnative contacts: 84.211
3812 contact order: 0.203
3813 TM-score with the reference structure: 0.27
3816 Virtual-chain energies:
3818 EVDW= -5.589893E+01 WEIGHT= 1.352790D+00 (SC-SC)
3819 EVDW2= 5.353279E+01 WEIGHT= 1.593040D+00 (SC-p)
3820 EES= -1.085247E+02 WEIGHT= 7.153400D-01 (p-p)
3821 EVDWPP= -2.417639E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3822 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3823 EBE= -3.856993E+01 WEIGHT= 1.138730D+00 (bending)
3824 ESC= 5.890451E+01 WEIGHT= 1.625800D-01 (SC local)
3825 ETORS= 1.206280E+01 WEIGHT= 1.985990D+00 (torsional)
3826 ETORSD= -2.160201E+00 WEIGHT= 1.570690D+00 (double torsional)
3827 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3828 ECORR4= -8.397418E+01 WEIGHT= 4.288700D-01 (multi-body)
3829 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3830 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3831 EELLO= -4.884085E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3832 ETURN3= 1.912342E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3833 ETURN4= 3.670702E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
3834 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3835 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3836 EDIHC= 0.000000E+00 (dihedral angle constraints)
3837 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3838 UCONST= 0.000000E+00 (Constraint energy)
3839 EDFAD= 2.377498-315 (DFA distance energy)
3840 EDFAT= 6.953299-310 (DFA torsion energy)
3841 EDFAN= 1.976263-323 (DFA NCa energy)
3842 EDFAB= 8.487983-314 (DFA Beta energy)
3843 ETOT= -8.900874E+01 (total)
3844 RMS deviation from the reference structure: 2.514
3845 % of native contacts: 58.333
3846 % of nonnative contacts: 69.565
3847 contact order: 0.312
3848 TM-score with the reference structure: 0.33
3851 Virtual-chain energies:
3853 EVDW= -5.656538E+01 WEIGHT= 1.352790D+00 (SC-SC)
3854 EVDW2= 5.258591E+01 WEIGHT= 1.593040D+00 (SC-p)
3855 EES= -1.034152E+02 WEIGHT= 7.153400D-01 (p-p)
3856 EVDWPP= -2.375174E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3857 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3858 EBE= -3.793318E+01 WEIGHT= 1.138730D+00 (bending)
3859 ESC= 4.643550E+01 WEIGHT= 1.625800D-01 (SC local)
3860 ETORS= 9.281829E+00 WEIGHT= 1.985990D+00 (torsional)
3861 ETORSD= -1.594245E-01 WEIGHT= 1.570690D+00 (double torsional)
3862 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3863 ECORR4= -7.810727E+01 WEIGHT= 4.288700D-01 (multi-body)
3864 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3865 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3866 EELLO= -5.733387E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3867 ETURN3= 1.809409E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3868 ETURN4= -2.663255E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3869 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3870 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3871 EDIHC= 0.000000E+00 (dihedral angle constraints)
3872 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3873 UCONST= 0.000000E+00 (Constraint energy)
3874 EDFAD= 2.377498-315 (DFA distance energy)
3875 EDFAT= 6.953299-310 (DFA torsion energy)
3876 EDFAN= 1.976263-323 (DFA NCa energy)
3877 EDFAB= 8.487983-314 (DFA Beta energy)
3878 ETOT= -9.254286E+01 (total)
3879 RMS deviation from the reference structure: 2.382
3880 % of native contacts: 41.667
3881 % of nonnative contacts: 76.190
3882 contact order: 0.323
3883 TM-score with the reference structure: 0.29
3886 Virtual-chain energies:
3888 EVDW= -5.289437E+01 WEIGHT= 1.352790D+00 (SC-SC)
3889 EVDW2= 3.605917E+01 WEIGHT= 1.593040D+00 (SC-p)
3890 EES= -6.294955E+01 WEIGHT= 7.153400D-01 (p-p)
3891 EVDWPP= -2.980292E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3892 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3893 EBE= -3.718345E+01 WEIGHT= 1.138730D+00 (bending)
3894 ESC= 4.526428E+01 WEIGHT= 1.625800D-01 (SC local)
3895 ETORS= 5.806239E+00 WEIGHT= 1.985990D+00 (torsional)
3896 ETORSD= -1.783733E+00 WEIGHT= 1.570690D+00 (double torsional)
3897 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3898 ECORR4= -4.623563E+01 WEIGHT= 4.288700D-01 (multi-body)
3899 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3900 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3901 EELLO= -2.962511E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3902 ETURN3= 1.398257E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3903 ETURN4= -1.266836E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3904 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3905 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3906 EDIHC= 0.000000E+00 (dihedral angle constraints)
3907 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3908 UCONST= 0.000000E+00 (Constraint energy)
3909 EDFAD= 2.377498-315 (DFA distance energy)
3910 EDFAT= 6.953299-310 (DFA torsion energy)
3911 EDFAN= 1.976263-323 (DFA NCa energy)
3912 EDFAB= 8.487983-314 (DFA Beta energy)
3913 ETOT= -8.633541E+01 (total)
3914 RMS deviation from the reference structure: 4.495
3915 % of native contacts: 41.667
3916 % of nonnative contacts: 75.000
3917 contact order: 0.370
3918 TM-score with the reference structure: 0.28
3921 Virtual-chain energies:
3923 EVDW= -5.302316E+01 WEIGHT= 1.352790D+00 (SC-SC)
3924 EVDW2= 4.551487E+01 WEIGHT= 1.593040D+00 (SC-p)
3925 EES= -9.062896E+01 WEIGHT= 7.153400D-01 (p-p)
3926 EVDWPP= -1.814267E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3927 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3928 EBE= -3.701167E+01 WEIGHT= 1.138730D+00 (bending)
3929 ESC= 4.226744E+01 WEIGHT= 1.625800D-01 (SC local)
3930 ETORS= 9.326660E+00 WEIGHT= 1.985990D+00 (torsional)
3931 ETORSD= 5.504356E-01 WEIGHT= 1.570690D+00 (double torsional)
3932 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3933 ECORR4= -6.826483E+01 WEIGHT= 4.288700D-01 (multi-body)
3934 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3935 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3936 EELLO= -1.372311E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3937 ETURN3= 1.749302E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3938 ETURN4= -2.991124E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3939 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3940 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3941 EDIHC= 0.000000E+00 (dihedral angle constraints)
3942 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3943 UCONST= 0.000000E+00 (Constraint energy)
3944 EDFAD= 2.377498-315 (DFA distance energy)
3945 EDFAT= 6.953299-310 (DFA torsion energy)
3946 EDFAN= 1.976263-323 (DFA NCa energy)
3947 EDFAB= 8.487983-314 (DFA Beta energy)
3948 ETOT= -8.396620E+01 (total)
3949 RMS deviation from the reference structure: 5.572
3950 % of native contacts: 33.333
3951 % of nonnative contacts: 81.818
3952 contact order: 0.320
3953 TM-score with the reference structure: 0.32
3956 Virtual-chain energies:
3958 EVDW= -5.264809E+01 WEIGHT= 1.352790D+00 (SC-SC)
3959 EVDW2= 4.669068E+01 WEIGHT= 1.593040D+00 (SC-p)
3960 EES= -9.895327E+01 WEIGHT= 7.153400D-01 (p-p)
3961 EVDWPP= -1.958736E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3962 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3963 EBE= -3.920952E+01 WEIGHT= 1.138730D+00 (bending)
3964 ESC= 3.800743E+01 WEIGHT= 1.625800D-01 (SC local)
3965 ETORS= 9.542073E+00 WEIGHT= 1.985990D+00 (torsional)
3966 ETORSD= -6.834820E-01 WEIGHT= 1.570690D+00 (double torsional)
3967 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
3968 ECORR4= -7.181022E+01 WEIGHT= 4.288700D-01 (multi-body)
3969 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3970 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
3971 EELLO= -4.270747E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
3972 ETURN3= 2.046079E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
3973 ETURN4= -2.835288E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
3974 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
3975 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
3976 EDIHC= 0.000000E+00 (dihedral angle constraints)
3977 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
3978 UCONST= 0.000000E+00 (Constraint energy)
3979 EDFAD= 2.377498-315 (DFA distance energy)
3980 EDFAT= 6.953299-310 (DFA torsion energy)
3981 EDFAN= 1.976263-323 (DFA NCa energy)
3982 EDFAB= 8.487983-314 (DFA Beta energy)
3983 ETOT= -8.928515E+01 (total)
3984 RMS deviation from the reference structure: 3.100
3985 % of native contacts: 41.667
3986 % of nonnative contacts: 75.000
3987 contact order: 0.330
3988 TM-score with the reference structure: 0.31
3991 Virtual-chain energies:
3993 EVDW= -4.860329E+01 WEIGHT= 1.352790D+00 (SC-SC)
3994 EVDW2= 6.122145E+01 WEIGHT= 1.593040D+00 (SC-p)
3995 EES= -1.220793E+02 WEIGHT= 7.153400D-01 (p-p)
3996 EVDWPP= -1.535644E+01 WEIGHT= 1.137100D-01 (p-p VDW)
3997 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
3998 EBE= -3.524441E+01 WEIGHT= 1.138730D+00 (bending)
3999 ESC= 4.195367E+01 WEIGHT= 1.625800D-01 (SC local)
4000 ETORS= 1.190700E+01 WEIGHT= 1.985990D+00 (torsional)
4001 ETORSD= -2.260933E+00 WEIGHT= 1.570690D+00 (double torsional)
4002 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4003 ECORR4= -9.533949E+01 WEIGHT= 4.288700D-01 (multi-body)
4004 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4005 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4006 EELLO= -8.282052E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4007 ETURN3= 1.781828E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4008 ETURN4= -5.591339E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4009 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4010 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4011 EDIHC= 0.000000E+00 (dihedral angle constraints)
4012 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4013 UCONST= 0.000000E+00 (Constraint energy)
4014 EDFAD= 2.377498-315 (DFA distance energy)
4015 EDFAT= 6.953299-310 (DFA torsion energy)
4016 EDFAN= 1.976263-323 (DFA NCa energy)
4017 EDFAB= 8.487983-314 (DFA Beta energy)
4018 ETOT= -8.636944E+01 (total)
4019 RMS deviation from the reference structure: 3.095
4020 % of native contacts: 58.333
4021 % of nonnative contacts: 65.000
4022 contact order: 0.261
4023 TM-score with the reference structure: 0.29
4026 Virtual-chain energies:
4028 EVDW= -5.511746E+01 WEIGHT= 1.352790D+00 (SC-SC)
4029 EVDW2= 5.203095E+01 WEIGHT= 1.593040D+00 (SC-p)
4030 EES= -1.003865E+02 WEIGHT= 7.153400D-01 (p-p)
4031 EVDWPP= -2.872994E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4032 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4033 EBE= -3.447959E+01 WEIGHT= 1.138730D+00 (bending)
4034 ESC= 5.851853E+01 WEIGHT= 1.625800D-01 (SC local)
4035 ETORS= 8.954491E+00 WEIGHT= 1.985990D+00 (torsional)
4036 ETORSD= 8.876968E-01 WEIGHT= 1.570690D+00 (double torsional)
4037 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4038 ECORR4= -7.413214E+01 WEIGHT= 4.288700D-01 (multi-body)
4039 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4040 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4041 EELLO= -5.851648E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4042 ETURN3= 1.654777E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4043 ETURN4= -4.447041E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4044 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4045 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4046 EDIHC= 0.000000E+00 (dihedral angle constraints)
4047 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4048 UCONST= 0.000000E+00 (Constraint energy)
4049 EDFAD= 2.377498-315 (DFA distance energy)
4050 EDFAT= 6.953299-310 (DFA torsion energy)
4051 EDFAN= 1.976263-323 (DFA NCa energy)
4052 EDFAB= 8.487983-314 (DFA Beta energy)
4053 ETOT= -8.508046E+01 (total)
4054 RMS deviation from the reference structure: 2.970
4055 % of native contacts: 58.333
4056 % of nonnative contacts: 73.077
4057 contact order: 0.329
4058 TM-score with the reference structure: 0.28
4061 Virtual-chain energies:
4063 EVDW= -5.236001E+01 WEIGHT= 1.352790D+00 (SC-SC)
4064 EVDW2= 4.791947E+01 WEIGHT= 1.593040D+00 (SC-p)
4065 EES= -8.765310E+01 WEIGHT= 7.153400D-01 (p-p)
4066 EVDWPP= -2.432258E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4067 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4068 EBE= -3.926515E+01 WEIGHT= 1.138730D+00 (bending)
4069 ESC= 3.043106E+01 WEIGHT= 1.625800D-01 (SC local)
4070 ETORS= 8.901225E+00 WEIGHT= 1.985990D+00 (torsional)
4071 ETORSD= -8.860211E-01 WEIGHT= 1.570690D+00 (double torsional)
4072 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4073 ECORR4= -6.471215E+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= 1.627627E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4077 ETURN3= 1.606716E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4078 ETURN4= -1.519288E+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= 2.377498-315 (DFA distance energy)
4085 EDFAT= 6.953299-310 (DFA torsion energy)
4086 EDFAN= 1.976263-323 (DFA NCa energy)
4087 EDFAB= 8.487983-314 (DFA Beta energy)
4088 ETOT= -8.483028E+01 (total)
4089 RMS deviation from the reference structure: 4.780
4090 % of native contacts: 41.667
4091 % of nonnative contacts: 73.684
4092 contact order: 0.359
4093 TM-score with the reference structure: 0.29
4096 Virtual-chain energies:
4098 EVDW= -5.378908E+01 WEIGHT= 1.352790D+00 (SC-SC)
4099 EVDW2= 5.375832E+01 WEIGHT= 1.593040D+00 (SC-p)
4100 EES= -1.063406E+02 WEIGHT= 7.153400D-01 (p-p)
4101 EVDWPP= -1.885633E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4102 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4103 EBE= -4.094052E+01 WEIGHT= 1.138730D+00 (bending)
4104 ESC= 2.870311E+01 WEIGHT= 1.625800D-01 (SC local)
4105 ETORS= 1.416159E+01 WEIGHT= 1.985990D+00 (torsional)
4106 ETORSD= -2.469380E+00 WEIGHT= 1.570690D+00 (double torsional)
4107 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4108 ECORR4= -7.827962E+01 WEIGHT= 4.288700D-01 (multi-body)
4109 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4110 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4111 EELLO= -3.510452E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
4112 ETURN3= 1.794869E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4113 ETURN4= 1.158822E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4114 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4115 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4116 EDIHC= 0.000000E+00 (dihedral angle constraints)
4117 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4118 UCONST= 0.000000E+00 (Constraint energy)
4119 EDFAD= 2.377498-315 (DFA distance energy)
4120 EDFAT= 6.953299-310 (DFA torsion energy)
4121 EDFAN= 1.976263-323 (DFA NCa energy)
4122 EDFAB= 8.487983-314 (DFA Beta energy)
4123 ETOT= -8.562473E+01 (total)
4124 RMS deviation from the reference structure: 4.105
4125 % of native contacts: 41.667
4126 % of nonnative contacts: 75.000
4127 contact order: 0.300
4128 TM-score with the reference structure: 0.29
4131 Virtual-chain energies:
4133 EVDW= -5.242247E+01 WEIGHT= 1.352790D+00 (SC-SC)
4134 EVDW2= 5.094253E+01 WEIGHT= 1.593040D+00 (SC-p)
4135 EES= -1.039453E+02 WEIGHT= 7.153400D-01 (p-p)
4136 EVDWPP= -1.909704E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4137 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4138 EBE= -4.130032E+01 WEIGHT= 1.138730D+00 (bending)
4139 ESC= 3.995764E+01 WEIGHT= 1.625800D-01 (SC local)
4140 ETORS= 1.202082E+01 WEIGHT= 1.985990D+00 (torsional)
4141 ETORSD= -5.622197E-01 WEIGHT= 1.570690D+00 (double torsional)
4142 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4143 ECORR4= -7.322901E+01 WEIGHT= 4.288700D-01 (multi-body)
4144 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4145 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4146 EELLO= 6.810647E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
4147 ETURN3= 1.713159E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4148 ETURN4= -6.973771E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
4149 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4150 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4151 EDIHC= 0.000000E+00 (dihedral angle constraints)
4152 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4153 UCONST= 0.000000E+00 (Constraint energy)
4154 EDFAD= 2.377498-315 (DFA distance energy)
4155 EDFAT= 6.953299-310 (DFA torsion energy)
4156 EDFAN= 1.976263-323 (DFA NCa energy)
4157 EDFAB= 8.487983-314 (DFA Beta energy)
4158 ETOT= -8.668793E+01 (total)
4159 RMS deviation from the reference structure: 3.427
4160 % of native contacts: 50.000
4161 % of nonnative contacts: 72.727
4162 contact order: 0.401
4163 TM-score with the reference structure: 0.27
4166 Virtual-chain energies:
4168 EVDW= -5.466147E+01 WEIGHT= 1.352790D+00 (SC-SC)
4169 EVDW2= 4.757848E+01 WEIGHT= 1.593040D+00 (SC-p)
4170 EES= -9.467737E+01 WEIGHT= 7.153400D-01 (p-p)
4171 EVDWPP= -2.411117E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4172 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4173 EBE= -4.038551E+01 WEIGHT= 1.138730D+00 (bending)
4174 ESC= 5.535855E+01 WEIGHT= 1.625800D-01 (SC local)
4175 ETORS= 9.825309E+00 WEIGHT= 1.985990D+00 (torsional)
4176 ETORSD= 1.369719E+00 WEIGHT= 1.570690D+00 (double torsional)
4177 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4178 ECORR4= -6.550888E+01 WEIGHT= 4.288700D-01 (multi-body)
4179 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4180 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4181 EELLO= 2.418963E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4182 ETURN3= 1.783418E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4183 ETURN4= -5.376279E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4184 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4185 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4186 EDIHC= 0.000000E+00 (dihedral angle constraints)
4187 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4188 UCONST= 0.000000E+00 (Constraint energy)
4189 EDFAD= 2.377498-315 (DFA distance energy)
4190 EDFAT= 6.953299-310 (DFA torsion energy)
4191 EDFAN= 1.976263-323 (DFA NCa energy)
4192 EDFAB= 8.487983-314 (DFA Beta energy)
4193 ETOT= -8.512031E+01 (total)
4194 RMS deviation from the reference structure: 4.896
4195 % of native contacts: 33.333
4196 % of nonnative contacts: 78.947
4197 contact order: 0.282
4198 TM-score with the reference structure: 0.27
4201 Virtual-chain energies:
4203 EVDW= -5.268079E+01 WEIGHT= 1.352790D+00 (SC-SC)
4204 EVDW2= 4.741509E+01 WEIGHT= 1.593040D+00 (SC-p)
4205 EES= -9.630309E+01 WEIGHT= 7.153400D-01 (p-p)
4206 EVDWPP= -2.337914E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4207 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4208 EBE= -3.721869E+01 WEIGHT= 1.138730D+00 (bending)
4209 ESC= 4.598975E+01 WEIGHT= 1.625800D-01 (SC local)
4210 ETORS= 1.157598E+01 WEIGHT= 1.985990D+00 (torsional)
4211 ETORSD= -4.446267E-01 WEIGHT= 1.570690D+00 (double torsional)
4212 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4213 ECORR4= -7.037918E+01 WEIGHT= 4.288700D-01 (multi-body)
4214 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4215 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4216 EELLO= -1.677141E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4217 ETURN3= 1.721241E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4218 ETURN4= -4.211287E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4219 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4220 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4221 EDIHC= 0.000000E+00 (dihedral angle constraints)
4222 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4223 UCONST= 0.000000E+00 (Constraint energy)
4224 EDFAD= 2.377498-315 (DFA distance energy)
4225 EDFAT= 6.953299-310 (DFA torsion energy)
4226 EDFAN= 1.976263-323 (DFA NCa energy)
4227 EDFAB= 8.487983-314 (DFA Beta energy)
4228 ETOT= -8.409392E+01 (total)
4229 RMS deviation from the reference structure: 3.329
4230 % of native contacts: 16.667
4231 % of nonnative contacts: 85.714
4232 contact order: 0.312
4233 TM-score with the reference structure: 0.28
4236 Virtual-chain energies:
4238 EVDW= -4.851068E+01 WEIGHT= 1.352790D+00 (SC-SC)
4239 EVDW2= 4.559134E+01 WEIGHT= 1.593040D+00 (SC-p)
4240 EES= -8.666728E+01 WEIGHT= 7.153400D-01 (p-p)
4241 EVDWPP= -3.081903E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4242 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4243 EBE= -4.144644E+01 WEIGHT= 1.138730D+00 (bending)
4244 ESC= 3.433608E+01 WEIGHT= 1.625800D-01 (SC local)
4245 ETORS= 8.961358E+00 WEIGHT= 1.985990D+00 (torsional)
4246 ETORSD= 4.923647E-01 WEIGHT= 1.570690D+00 (double torsional)
4247 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4248 ECORR4= -6.015026E+01 WEIGHT= 4.288700D-01 (multi-body)
4249 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4250 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4251 EELLO= -2.200885E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4252 ETURN3= 1.436547E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4253 ETURN4= -2.211555E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4254 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4255 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4256 EDIHC= 0.000000E+00 (dihedral angle constraints)
4257 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4258 UCONST= 0.000000E+00 (Constraint energy)
4259 EDFAD= 2.377498-315 (DFA distance energy)
4260 EDFAT= 6.953299-310 (DFA torsion energy)
4261 EDFAN= 1.976263-323 (DFA NCa energy)
4262 EDFAB= 8.487983-314 (DFA Beta energy)
4263 ETOT= -8.491695E+01 (total)
4264 RMS deviation from the reference structure: 4.101
4265 % of native contacts: 33.333
4266 % of nonnative contacts: 76.471
4267 contact order: 0.321
4268 TM-score with the reference structure: 0.31
4271 Virtual-chain energies:
4273 EVDW= -5.346322E+01 WEIGHT= 1.352790D+00 (SC-SC)
4274 EVDW2= 5.023761E+01 WEIGHT= 1.593040D+00 (SC-p)
4275 EES= -9.998350E+01 WEIGHT= 7.153400D-01 (p-p)
4276 EVDWPP= -2.376509E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4277 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4278 EBE= -3.884940E+01 WEIGHT= 1.138730D+00 (bending)
4279 ESC= 4.421117E+01 WEIGHT= 1.625800D-01 (SC local)
4280 ETORS= 8.581503E+00 WEIGHT= 1.985990D+00 (torsional)
4281 ETORSD= 9.189180E-01 WEIGHT= 1.570690D+00 (double torsional)
4282 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4283 ECORR4= -7.527250E+01 WEIGHT= 4.288700D-01 (multi-body)
4284 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4285 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4286 EELLO= -3.767583E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4287 ETURN3= 1.842217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4288 ETURN4= -3.985463E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4289 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4290 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4291 EDIHC= 0.000000E+00 (dihedral angle constraints)
4292 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4293 UCONST= 0.000000E+00 (Constraint energy)
4294 EDFAD= 2.377498-315 (DFA distance energy)
4295 EDFAT= 6.953299-310 (DFA torsion energy)
4296 EDFAN= 1.976263-323 (DFA NCa energy)
4297 EDFAB= 8.487983-314 (DFA Beta energy)
4298 ETOT= -8.952713E+01 (total)
4299 RMS deviation from the reference structure: 2.605
4300 % of native contacts: 50.000
4301 % of nonnative contacts: 71.429
4302 contact order: 0.290
4303 TM-score with the reference structure: 0.30
4306 Virtual-chain energies:
4308 EVDW= -5.380388E+01 WEIGHT= 1.352790D+00 (SC-SC)
4309 EVDW2= 4.929089E+01 WEIGHT= 1.593040D+00 (SC-p)
4310 EES= -1.007499E+02 WEIGHT= 7.153400D-01 (p-p)
4311 EVDWPP= -2.522975E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4312 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4313 EBE= -3.888611E+01 WEIGHT= 1.138730D+00 (bending)
4314 ESC= 4.005202E+01 WEIGHT= 1.625800D-01 (SC local)
4315 ETORS= 9.586364E+00 WEIGHT= 1.985990D+00 (torsional)
4316 ETORSD= 1.416008E-01 WEIGHT= 1.570690D+00 (double torsional)
4317 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4318 ECORR4= -7.570784E+01 WEIGHT= 4.288700D-01 (multi-body)
4319 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4320 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4321 EELLO= -5.751687E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4322 ETURN3= 1.841096E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4323 ETURN4= -2.063106E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4324 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4325 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4326 EDIHC= 0.000000E+00 (dihedral angle constraints)
4327 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4328 UCONST= 0.000000E+00 (Constraint energy)
4329 EDFAD= 2.377498-315 (DFA distance energy)
4330 EDFAT= 6.953299-310 (DFA torsion energy)
4331 EDFAN= 1.976263-323 (DFA NCa energy)
4332 EDFAB= 8.487983-314 (DFA Beta energy)
4333 ETOT= -9.140481E+01 (total)
4334 RMS deviation from the reference structure: 2.858
4335 % of native contacts: 50.000
4336 % of nonnative contacts: 72.727
4337 contact order: 0.289
4338 TM-score with the reference structure: 0.31
4341 Virtual-chain energies:
4343 EVDW= -5.473366E+01 WEIGHT= 1.352790D+00 (SC-SC)
4344 EVDW2= 4.748520E+01 WEIGHT= 1.593040D+00 (SC-p)
4345 EES= -9.408364E+01 WEIGHT= 7.153400D-01 (p-p)
4346 EVDWPP= -2.371021E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4347 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4348 EBE= -3.653478E+01 WEIGHT= 1.138730D+00 (bending)
4349 ESC= 5.576976E+01 WEIGHT= 1.625800D-01 (SC local)
4350 ETORS= 8.362834E+00 WEIGHT= 1.985990D+00 (torsional)
4351 ETORSD= -8.256213E-01 WEIGHT= 1.570690D+00 (double torsional)
4352 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4353 ECORR4= -7.182680E+01 WEIGHT= 4.288700D-01 (multi-body)
4354 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4355 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4356 EELLO= -4.795840E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4357 ETURN3= 1.913738E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4358 ETURN4= -6.272803E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
4359 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4360 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4361 EDIHC= 0.000000E+00 (dihedral angle constraints)
4362 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4363 UCONST= 0.000000E+00 (Constraint energy)
4364 EDFAD= 2.377498-315 (DFA distance energy)
4365 EDFAT= 6.953299-310 (DFA torsion energy)
4366 EDFAN= 1.976263-323 (DFA NCa energy)
4367 EDFAB= 8.487983-314 (DFA Beta energy)
4368 ETOT= -8.531961E+01 (total)
4369 RMS deviation from the reference structure: 6.958
4370 % of native contacts: 33.333
4371 % of nonnative contacts: 78.947
4372 contact order: 0.242
4373 TM-score with the reference structure: 0.32
4376 Virtual-chain energies:
4378 EVDW= -5.331289E+01 WEIGHT= 1.352790D+00 (SC-SC)
4379 EVDW2= 5.197919E+01 WEIGHT= 1.593040D+00 (SC-p)
4380 EES= -1.034185E+02 WEIGHT= 7.153400D-01 (p-p)
4381 EVDWPP= -2.415722E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4382 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4383 EBE= -3.593423E+01 WEIGHT= 1.138730D+00 (bending)
4384 ESC= 3.257268E+01 WEIGHT= 1.625800D-01 (SC local)
4385 ETORS= 9.460077E+00 WEIGHT= 1.985990D+00 (torsional)
4386 ETORSD= -2.555538E-01 WEIGHT= 1.570690D+00 (double torsional)
4387 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4388 ECORR4= -7.828408E+01 WEIGHT= 4.288700D-01 (multi-body)
4389 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4390 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4391 EELLO= -5.731395E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4392 ETURN3= 1.829565E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4393 ETURN4= -2.497159E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4394 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4395 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4396 EDIHC= 0.000000E+00 (dihedral angle constraints)
4397 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4398 UCONST= 0.000000E+00 (Constraint energy)
4399 EDFAD= 2.377498-315 (DFA distance energy)
4400 EDFAT= 6.953299-310 (DFA torsion energy)
4401 EDFAN= 1.976263-323 (DFA NCa energy)
4402 EDFAB= 8.487983-314 (DFA Beta energy)
4403 ETOT= -8.855785E+01 (total)
4404 RMS deviation from the reference structure: 2.345
4405 % of native contacts: 50.000
4406 % of nonnative contacts: 72.727
4407 contact order: 0.339
4408 TM-score with the reference structure: 0.30
4411 Virtual-chain energies:
4413 EVDW= -5.245759E+01 WEIGHT= 1.352790D+00 (SC-SC)
4414 EVDW2= 4.785545E+01 WEIGHT= 1.593040D+00 (SC-p)
4415 EES= -9.565685E+01 WEIGHT= 7.153400D-01 (p-p)
4416 EVDWPP= -1.726442E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4417 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4418 EBE= -3.671211E+01 WEIGHT= 1.138730D+00 (bending)
4419 ESC= 4.104623E+01 WEIGHT= 1.625800D-01 (SC local)
4420 ETORS= 1.056144E+01 WEIGHT= 1.985990D+00 (torsional)
4421 ETORSD= -1.657052E+00 WEIGHT= 1.570690D+00 (double torsional)
4422 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4423 ECORR4= -6.969030E+01 WEIGHT= 4.288700D-01 (multi-body)
4424 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4425 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4426 EELLO= -1.870574E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4427 ETURN3= 1.838355E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4428 ETURN4= -3.707941E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4429 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4430 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4431 EDIHC= 0.000000E+00 (dihedral angle constraints)
4432 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4433 UCONST= 0.000000E+00 (Constraint energy)
4434 EDFAD= 2.377498-315 (DFA distance energy)
4435 EDFAT= 6.953299-310 (DFA torsion energy)
4436 EDFAN= 1.976263-323 (DFA NCa energy)
4437 EDFAB= 8.487983-314 (DFA Beta energy)
4438 ETOT= -8.350516E+01 (total)
4439 RMS deviation from the reference structure: 4.702
4440 % of native contacts: 25.000
4441 % of nonnative contacts: 85.714
4442 contact order: 0.333
4443 TM-score with the reference structure: 0.31
4446 Virtual-chain energies:
4448 EVDW= -5.255036E+01 WEIGHT= 1.352790D+00 (SC-SC)
4449 EVDW2= 4.319276E+01 WEIGHT= 1.593040D+00 (SC-p)
4450 EES= -8.049037E+01 WEIGHT= 7.153400D-01 (p-p)
4451 EVDWPP= -2.373347E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4452 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4453 EBE= -3.757464E+01 WEIGHT= 1.138730D+00 (bending)
4454 ESC= 4.334404E+01 WEIGHT= 1.625800D-01 (SC local)
4455 ETORS= 8.310507E+00 WEIGHT= 1.985990D+00 (torsional)
4456 ETORSD= -1.922061E+00 WEIGHT= 1.570690D+00 (double torsional)
4457 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4458 ECORR4= -5.967022E+01 WEIGHT= 4.288700D-01 (multi-body)
4459 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4460 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4461 EELLO= -8.513161E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
4462 ETURN3= 1.663557E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4463 ETURN4= -3.138070E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4464 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4465 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4466 EDIHC= 0.000000E+00 (dihedral angle constraints)
4467 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4468 UCONST= 0.000000E+00 (Constraint energy)
4469 EDFAD= 2.377498-315 (DFA distance energy)
4470 EDFAT= 6.953299-310 (DFA torsion energy)
4471 EDFAN= 1.976263-323 (DFA NCa energy)
4472 EDFAB= 8.487983-314 (DFA Beta energy)
4473 ETOT= -8.455116E+01 (total)
4474 RMS deviation from the reference structure: 5.585
4475 % of native contacts: 41.667
4476 % of nonnative contacts: 76.190
4477 contact order: 0.390
4478 TM-score with the reference structure: 0.31
4481 Virtual-chain energies:
4483 EVDW= -5.397051E+01 WEIGHT= 1.352790D+00 (SC-SC)
4484 EVDW2= 4.522836E+01 WEIGHT= 1.593040D+00 (SC-p)
4485 EES= -8.637573E+01 WEIGHT= 7.153400D-01 (p-p)
4486 EVDWPP= -3.004786E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4487 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4488 EBE= -3.737668E+01 WEIGHT= 1.138730D+00 (bending)
4489 ESC= 4.173907E+01 WEIGHT= 1.625800D-01 (SC local)
4490 ETORS= 7.419750E+00 WEIGHT= 1.985990D+00 (torsional)
4491 ETORSD= 7.381508E-01 WEIGHT= 1.570690D+00 (double torsional)
4492 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4493 ECORR4= -6.527590E+01 WEIGHT= 4.288700D-01 (multi-body)
4494 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4495 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4496 EELLO= -4.332358E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4497 ETURN3= 1.653681E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4498 ETURN4= -1.917443E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4499 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4500 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4501 EDIHC= 0.000000E+00 (dihedral angle constraints)
4502 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4503 UCONST= 0.000000E+00 (Constraint energy)
4504 EDFAD= 2.377498-315 (DFA distance energy)
4505 EDFAT= 6.953299-310 (DFA torsion energy)
4506 EDFAN= 1.976263-323 (DFA NCa energy)
4507 EDFAB= 8.487983-314 (DFA Beta energy)
4508 ETOT= -8.810428E+01 (total)
4509 RMS deviation from the reference structure: 2.962
4510 % of native contacts: 50.000
4511 % of nonnative contacts: 72.727
4512 contact order: 0.312
4513 TM-score with the reference structure: 0.30
4516 Virtual-chain energies:
4518 EVDW= -4.818315E+01 WEIGHT= 1.352790D+00 (SC-SC)
4519 EVDW2= 4.869225E+01 WEIGHT= 1.593040D+00 (SC-p)
4520 EES= -9.087120E+01 WEIGHT= 7.153400D-01 (p-p)
4521 EVDWPP= -3.098304E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4522 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4523 EBE= -3.900804E+01 WEIGHT= 1.138730D+00 (bending)
4524 ESC= 2.979270E+01 WEIGHT= 1.625800D-01 (SC local)
4525 ETORS= 1.048510E+01 WEIGHT= 1.985990D+00 (torsional)
4526 ETORSD= -2.670095E+00 WEIGHT= 1.570690D+00 (double torsional)
4527 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4528 ECORR4= -6.762313E+01 WEIGHT= 4.288700D-01 (multi-body)
4529 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4530 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4531 EELLO= 1.112760E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4532 ETURN3= 1.350125E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4533 ETURN4= -1.989297E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
4534 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4535 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4536 EDIHC= 0.000000E+00 (dihedral angle constraints)
4537 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4538 UCONST= 0.000000E+00 (Constraint energy)
4539 EDFAD= 2.377498-315 (DFA distance energy)
4540 EDFAT= 6.953299-310 (DFA torsion energy)
4541 EDFAN= 1.976263-323 (DFA NCa energy)
4542 EDFAB= 8.487983-314 (DFA Beta energy)
4543 ETOT= -8.526164E+01 (total)
4544 RMS deviation from the reference structure: 4.105
4545 % of native contacts: 50.000
4546 % of nonnative contacts: 70.000
4547 contact order: 0.357
4548 TM-score with the reference structure: 0.31
4551 Virtual-chain energies:
4553 EVDW= -5.216522E+01 WEIGHT= 1.352790D+00 (SC-SC)
4554 EVDW2= 5.397929E+01 WEIGHT= 1.593040D+00 (SC-p)
4555 EES= -1.099481E+02 WEIGHT= 7.153400D-01 (p-p)
4556 EVDWPP= -3.059393E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4557 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4558 EBE= -4.016532E+01 WEIGHT= 1.138730D+00 (bending)
4559 ESC= 4.743461E+01 WEIGHT= 1.625800D-01 (SC local)
4560 ETORS= 1.139471E+01 WEIGHT= 1.985990D+00 (torsional)
4561 ETORSD= -1.010814E+00 WEIGHT= 1.570690D+00 (double torsional)
4562 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4563 ECORR4= -8.096292E+01 WEIGHT= 4.288700D-01 (multi-body)
4564 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4565 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4566 EELLO= -4.274862E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4567 ETURN3= 1.929948E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4568 ETURN4= -2.804395E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4569 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4570 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4571 EDIHC= 0.000000E+00 (dihedral angle constraints)
4572 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4573 UCONST= 0.000000E+00 (Constraint energy)
4574 EDFAD= 2.377498-315 (DFA distance energy)
4575 EDFAT= 6.953299-310 (DFA torsion energy)
4576 EDFAN= 1.976263-323 (DFA NCa energy)
4577 EDFAB= 8.487983-314 (DFA Beta energy)
4578 ETOT= -8.839295E+01 (total)
4579 RMS deviation from the reference structure: 2.961
4580 % of native contacts: 25.000
4581 % of nonnative contacts: 85.000
4582 contact order: 0.250
4583 TM-score with the reference structure: 0.28
4586 Virtual-chain energies:
4588 EVDW= -5.078950E+01 WEIGHT= 1.352790D+00 (SC-SC)
4589 EVDW2= 4.913631E+01 WEIGHT= 1.593040D+00 (SC-p)
4590 EES= -9.987614E+01 WEIGHT= 7.153400D-01 (p-p)
4591 EVDWPP= -2.172987E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4592 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4593 EBE= -4.042024E+01 WEIGHT= 1.138730D+00 (bending)
4594 ESC= 4.081295E+01 WEIGHT= 1.625800D-01 (SC local)
4595 ETORS= 1.022220E+01 WEIGHT= 1.985990D+00 (torsional)
4596 ETORSD= 6.869584E-02 WEIGHT= 1.570690D+00 (double torsional)
4597 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4598 ECORR4= -7.216795E+01 WEIGHT= 4.288700D-01 (multi-body)
4599 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4600 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4601 EELLO= -5.321539E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4602 ETURN3= 1.944246E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4603 ETURN4= -2.186088E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4604 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4605 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4606 EDIHC= 0.000000E+00 (dihedral angle constraints)
4607 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4608 UCONST= 0.000000E+00 (Constraint energy)
4609 EDFAD= 2.377498-315 (DFA distance energy)
4610 EDFAT= 6.953299-310 (DFA torsion energy)
4611 EDFAN= 1.976263-323 (DFA NCa energy)
4612 EDFAB= 8.487983-314 (DFA Beta energy)
4613 ETOT= -8.377916E+01 (total)
4614 RMS deviation from the reference structure: 4.191
4615 % of native contacts: 33.333
4616 % of nonnative contacts: 80.952
4617 contact order: 0.294
4618 TM-score with the reference structure: 0.36
4621 Virtual-chain energies:
4623 EVDW= -5.315045E+01 WEIGHT= 1.352790D+00 (SC-SC)
4624 EVDW2= 4.487287E+01 WEIGHT= 1.593040D+00 (SC-p)
4625 EES= -8.414539E+01 WEIGHT= 7.153400D-01 (p-p)
4626 EVDWPP= -2.008801E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4627 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4628 EBE= -3.792331E+01 WEIGHT= 1.138730D+00 (bending)
4629 ESC= 4.397455E+01 WEIGHT= 1.625800D-01 (SC local)
4630 ETORS= 6.827420E+00 WEIGHT= 1.985990D+00 (torsional)
4631 ETORSD= 2.220290E+00 WEIGHT= 1.570690D+00 (double torsional)
4632 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4633 ECORR4= -6.174877E+01 WEIGHT= 4.288700D-01 (multi-body)
4634 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4635 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4636 EELLO= -3.627230E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4637 ETURN3= 1.563713E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4638 ETURN4= -4.295362E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4639 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4640 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4641 EDIHC= 0.000000E+00 (dihedral angle constraints)
4642 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4643 UCONST= 0.000000E+00 (Constraint energy)
4644 EDFAD= 2.377498-315 (DFA distance energy)
4645 EDFAT= 6.953299-310 (DFA torsion energy)
4646 EDFAN= 1.976263-323 (DFA NCa energy)
4647 EDFAB= 8.487983-314 (DFA Beta energy)
4648 ETOT= -8.540774E+01 (total)
4649 RMS deviation from the reference structure: 5.716
4650 % of native contacts: 33.333
4651 % of nonnative contacts: 80.000
4652 contact order: 0.361
4653 TM-score with the reference structure: 0.29
4656 Virtual-chain energies:
4658 EVDW= -5.219792E+01 WEIGHT= 1.352790D+00 (SC-SC)
4659 EVDW2= 4.767414E+01 WEIGHT= 1.593040D+00 (SC-p)
4660 EES= -8.382230E+01 WEIGHT= 7.153400D-01 (p-p)
4661 EVDWPP= -4.109974E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4662 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4663 EBE= -4.128860E+01 WEIGHT= 1.138730D+00 (bending)
4664 ESC= 3.503076E+01 WEIGHT= 1.625800D-01 (SC local)
4665 ETORS= 8.940973E+00 WEIGHT= 1.985990D+00 (torsional)
4666 ETORSD= 6.380910E-01 WEIGHT= 1.570690D+00 (double torsional)
4667 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4668 ECORR4= -5.982760E+01 WEIGHT= 4.288700D-01 (multi-body)
4669 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4670 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4671 EELLO= -5.301500E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4672 ETURN3= 1.491043E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4673 ETURN4= -1.548721E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4674 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4675 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4676 EDIHC= 0.000000E+00 (dihedral angle constraints)
4677 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4678 UCONST= 0.000000E+00 (Constraint energy)
4679 EDFAD= 2.377498-315 (DFA distance energy)
4680 EDFAT= 6.953299-310 (DFA torsion energy)
4681 EDFAN= 1.976263-323 (DFA NCa energy)
4682 EDFAB= 8.487983-314 (DFA Beta energy)
4683 ETOT= -8.424020E+01 (total)
4684 RMS deviation from the reference structure: 3.844
4685 % of native contacts: 41.667
4686 % of nonnative contacts: 76.190
4687 contact order: 0.335
4688 TM-score with the reference structure: 0.27
4691 Virtual-chain energies:
4693 EVDW= -5.109617E+01 WEIGHT= 1.352790D+00 (SC-SC)
4694 EVDW2= 4.613037E+01 WEIGHT= 1.593040D+00 (SC-p)
4695 EES= -9.116321E+01 WEIGHT= 7.153400D-01 (p-p)
4696 EVDWPP= -2.004613E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4697 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4698 EBE= -3.783319E+01 WEIGHT= 1.138730D+00 (bending)
4699 ESC= 3.334490E+01 WEIGHT= 1.625800D-01 (SC local)
4700 ETORS= 8.888703E+00 WEIGHT= 1.985990D+00 (torsional)
4701 ETORSD= -1.266939E+00 WEIGHT= 1.570690D+00 (double torsional)
4702 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4703 ECORR4= -6.914308E+01 WEIGHT= 4.288700D-01 (multi-body)
4704 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4705 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4706 EELLO= -3.941928E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4707 ETURN3= 1.833628E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4708 ETURN4= -2.484904E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4709 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4710 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4711 EDIHC= 0.000000E+00 (dihedral angle constraints)
4712 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4713 UCONST= 0.000000E+00 (Constraint energy)
4714 EDFAD= 2.377498-315 (DFA distance energy)
4715 EDFAT= 6.953299-310 (DFA torsion energy)
4716 EDFAN= 1.976263-323 (DFA NCa energy)
4717 EDFAB= 8.487983-314 (DFA Beta energy)
4718 ETOT= -8.611861E+01 (total)
4719 RMS deviation from the reference structure: 6.516
4720 % of native contacts: 16.667
4721 % of nonnative contacts: 88.889
4722 contact order: 0.240
4723 TM-score with the reference structure: 0.29
4726 Virtual-chain energies:
4728 EVDW= -4.991929E+01 WEIGHT= 1.352790D+00 (SC-SC)
4729 EVDW2= 5.429486E+01 WEIGHT= 1.593040D+00 (SC-p)
4730 EES= -1.131385E+02 WEIGHT= 7.153400D-01 (p-p)
4731 EVDWPP= -1.881675E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4732 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4733 EBE= -4.192360E+01 WEIGHT= 1.138730D+00 (bending)
4734 ESC= 3.779318E+01 WEIGHT= 1.625800D-01 (SC local)
4735 ETORS= 1.133681E+01 WEIGHT= 1.985990D+00 (torsional)
4736 ETORSD= 1.496256E-01 WEIGHT= 1.570690D+00 (double torsional)
4737 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4738 ECORR4= -8.165029E+01 WEIGHT= 4.288700D-01 (multi-body)
4739 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4740 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4741 EELLO= -6.689023E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4742 ETURN3= 2.142960E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4743 ETURN4= -3.161631E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4744 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4745 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4746 EDIHC= 0.000000E+00 (dihedral angle constraints)
4747 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4748 UCONST= 0.000000E+00 (Constraint energy)
4749 EDFAD= 2.377498-315 (DFA distance energy)
4750 EDFAT= 6.953299-310 (DFA torsion energy)
4751 EDFAN= 1.976263-323 (DFA NCa energy)
4752 EDFAB= 8.487983-314 (DFA Beta energy)
4753 ETOT= -8.498152E+01 (total)
4754 RMS deviation from the reference structure: 4.133
4755 % of native contacts: 33.333
4756 % of nonnative contacts: 80.952
4757 contact order: 0.292
4758 TM-score with the reference structure: 0.33
4761 Virtual-chain energies:
4763 EVDW= -5.390344E+01 WEIGHT= 1.352790D+00 (SC-SC)
4764 EVDW2= 4.964969E+01 WEIGHT= 1.593040D+00 (SC-p)
4765 EES= -1.013023E+02 WEIGHT= 7.153400D-01 (p-p)
4766 EVDWPP= -1.566425E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4767 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4768 EBE= -4.096682E+01 WEIGHT= 1.138730D+00 (bending)
4769 ESC= 4.208028E+01 WEIGHT= 1.625800D-01 (SC local)
4770 ETORS= 1.040709E+01 WEIGHT= 1.985990D+00 (torsional)
4771 ETORSD= -3.597037E-01 WEIGHT= 1.570690D+00 (double torsional)
4772 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4773 ECORR4= -6.941283E+01 WEIGHT= 4.288700D-01 (multi-body)
4774 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4775 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4776 EELLO= 1.127071E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4777 ETURN3= 1.979077E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4778 ETURN4= -2.398058E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4779 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4780 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4781 EDIHC= 0.000000E+00 (dihedral angle constraints)
4782 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4783 UCONST= 0.000000E+00 (Constraint energy)
4784 EDFAD= 2.377498-315 (DFA distance energy)
4785 EDFAT= 6.953299-310 (DFA torsion energy)
4786 EDFAN= 1.976263-323 (DFA NCa energy)
4787 EDFAB= 8.487983-314 (DFA Beta energy)
4788 ETOT= -8.556338E+01 (total)
4789 RMS deviation from the reference structure: 4.737
4790 % of native contacts: 25.000
4791 % of nonnative contacts: 84.211
4792 contact order: 0.323
4793 TM-score with the reference structure: 0.29
4796 Virtual-chain energies:
4798 EVDW= -4.897358E+01 WEIGHT= 1.352790D+00 (SC-SC)
4799 EVDW2= 3.915164E+01 WEIGHT= 1.593040D+00 (SC-p)
4800 EES= -7.616403E+01 WEIGHT= 7.153400D-01 (p-p)
4801 EVDWPP= -1.790274E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4802 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4803 EBE= -3.976098E+01 WEIGHT= 1.138730D+00 (bending)
4804 ESC= 3.234260E+01 WEIGHT= 1.625800D-01 (SC local)
4805 ETORS= 8.585411E+00 WEIGHT= 1.985990D+00 (torsional)
4806 ETORSD= -1.311838E+00 WEIGHT= 1.570690D+00 (double torsional)
4807 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4808 ECORR4= -5.707833E+01 WEIGHT= 4.288700D-01 (multi-body)
4809 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4810 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4811 EELLO= 9.255826E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
4812 ETURN3= 1.512623E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4813 ETURN4= -2.021034E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4814 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4815 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4816 EDIHC= 0.000000E+00 (dihedral angle constraints)
4817 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4818 UCONST= 0.000000E+00 (Constraint energy)
4819 EDFAD= 2.377498-315 (DFA distance energy)
4820 EDFAT= 6.953299-310 (DFA torsion energy)
4821 EDFAN= 1.976263-323 (DFA NCa energy)
4822 EDFAB= 8.487983-314 (DFA Beta energy)
4823 ETOT= -8.557646E+01 (total)
4824 RMS deviation from the reference structure: 4.777
4825 % of native contacts: 16.667
4826 % of nonnative contacts: 85.714
4827 contact order: 0.419
4828 TM-score with the reference structure: 0.31
4831 Virtual-chain energies:
4833 EVDW= -5.235574E+01 WEIGHT= 1.352790D+00 (SC-SC)
4834 EVDW2= 5.207795E+01 WEIGHT= 1.593040D+00 (SC-p)
4835 EES= -1.071050E+02 WEIGHT= 7.153400D-01 (p-p)
4836 EVDWPP= -1.711560E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4837 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4838 EBE= -3.941221E+01 WEIGHT= 1.138730D+00 (bending)
4839 ESC= 4.129141E+01 WEIGHT= 1.625800D-01 (SC local)
4840 ETORS= 1.124428E+01 WEIGHT= 1.985990D+00 (torsional)
4841 ETORSD= -6.971892E-01 WEIGHT= 1.570690D+00 (double torsional)
4842 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4843 ECORR4= -8.103883E+01 WEIGHT= 4.288700D-01 (multi-body)
4844 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4845 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4846 EELLO= -6.315052E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4847 ETURN3= 2.005795E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4848 ETURN4= -8.402141E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
4849 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4850 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4851 EDIHC= 0.000000E+00 (dihedral angle constraints)
4852 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4853 UCONST= 0.000000E+00 (Constraint energy)
4854 EDFAD= 2.377498-315 (DFA distance energy)
4855 EDFAT= 6.953299-310 (DFA torsion energy)
4856 EDFAN= 1.976263-323 (DFA NCa energy)
4857 EDFAB= 8.487983-314 (DFA Beta energy)
4858 ETOT= -8.583962E+01 (total)
4859 RMS deviation from the reference structure: 2.352
4860 % of native contacts: 66.667
4861 % of nonnative contacts: 61.905
4862 contact order: 0.281
4863 TM-score with the reference structure: 0.33
4866 Virtual-chain energies:
4868 EVDW= -5.189506E+01 WEIGHT= 1.352790D+00 (SC-SC)
4869 EVDW2= 4.757256E+01 WEIGHT= 1.593040D+00 (SC-p)
4870 EES= -9.838629E+01 WEIGHT= 7.153400D-01 (p-p)
4871 EVDWPP= -1.633343E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4872 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4873 EBE= -3.915135E+01 WEIGHT= 1.138730D+00 (bending)
4874 ESC= 5.536124E+01 WEIGHT= 1.625800D-01 (SC local)
4875 ETORS= 9.916706E+00 WEIGHT= 1.985990D+00 (torsional)
4876 ETORSD= -2.210189E+00 WEIGHT= 1.570690D+00 (double torsional)
4877 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4878 ECORR4= -7.380771E+01 WEIGHT= 4.288700D-01 (multi-body)
4879 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4880 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4881 EELLO= 1.990572E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4882 ETURN3= 1.962722E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4883 ETURN4= -1.617477E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
4884 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4885 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4886 EDIHC= 0.000000E+00 (dihedral angle constraints)
4887 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4888 UCONST= 0.000000E+00 (Constraint energy)
4889 EDFAD= 2.377498-315 (DFA distance energy)
4890 EDFAT= 6.953299-310 (DFA torsion energy)
4891 EDFAN= 1.976263-323 (DFA NCa energy)
4892 EDFAB= 8.487983-314 (DFA Beta energy)
4893 ETOT= -8.434067E+01 (total)
4894 RMS deviation from the reference structure: 6.540
4895 % of native contacts: 33.333
4896 % of nonnative contacts: 76.471
4897 contact order: 0.230
4898 TM-score with the reference structure: 0.31
4901 Virtual-chain energies:
4903 EVDW= -5.756768E+01 WEIGHT= 1.352790D+00 (SC-SC)
4904 EVDW2= 4.536445E+01 WEIGHT= 1.593040D+00 (SC-p)
4905 EES= -8.876928E+01 WEIGHT= 7.153400D-01 (p-p)
4906 EVDWPP= -2.032442E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4907 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4908 EBE= -3.564439E+01 WEIGHT= 1.138730D+00 (bending)
4909 ESC= 5.664898E+01 WEIGHT= 1.625800D-01 (SC local)
4910 ETORS= 8.344200E+00 WEIGHT= 1.985990D+00 (torsional)
4911 ETORSD= -5.974411E-01 WEIGHT= 1.570690D+00 (double torsional)
4912 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4913 ECORR4= -6.272068E+01 WEIGHT= 4.288700D-01 (multi-body)
4914 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4915 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4916 EELLO= -3.448782E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
4917 ETURN3= 1.772446E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4918 ETURN4= -3.314834E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4919 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4920 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4921 EDIHC= 0.000000E+00 (dihedral angle constraints)
4922 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4923 UCONST= 0.000000E+00 (Constraint energy)
4924 EDFAD= 2.377498-315 (DFA distance energy)
4925 EDFAT= 6.953299-310 (DFA torsion energy)
4926 EDFAN= 1.976263-323 (DFA NCa energy)
4927 EDFAB= 8.487983-314 (DFA Beta energy)
4928 ETOT= -8.641183E+01 (total)
4929 RMS deviation from the reference structure: 5.109
4930 % of native contacts: 33.333
4931 % of nonnative contacts: 78.947
4932 contact order: 0.273
4933 TM-score with the reference structure: 0.29
4936 Virtual-chain energies:
4938 EVDW= -5.430664E+01 WEIGHT= 1.352790D+00 (SC-SC)
4939 EVDW2= 4.524149E+01 WEIGHT= 1.593040D+00 (SC-p)
4940 EES= -9.366314E+01 WEIGHT= 7.153400D-01 (p-p)
4941 EVDWPP= -1.848517E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4942 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4943 EBE= -3.707435E+01 WEIGHT= 1.138730D+00 (bending)
4944 ESC= 6.001359E+01 WEIGHT= 1.625800D-01 (SC local)
4945 ETORS= 8.757863E+00 WEIGHT= 1.985990D+00 (torsional)
4946 ETORSD= -4.223698E-01 WEIGHT= 1.570690D+00 (double torsional)
4947 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4948 ECORR4= -7.061723E+01 WEIGHT= 4.288700D-01 (multi-body)
4949 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4950 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4951 EELLO= -3.157446E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4952 ETURN3= 1.909439E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
4953 ETURN4= -3.376186E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4954 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4955 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4956 EDIHC= 0.000000E+00 (dihedral angle constraints)
4957 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4958 UCONST= 0.000000E+00 (Constraint energy)
4959 EDFAD= 2.377498-315 (DFA distance energy)
4960 EDFAT= 6.953299-310 (DFA torsion energy)
4961 EDFAN= 1.976263-323 (DFA NCa energy)
4962 EDFAB= 8.487983-314 (DFA Beta energy)
4963 ETOT= -8.703953E+01 (total)
4964 RMS deviation from the reference structure: 6.698
4965 % of native contacts: 33.333
4966 % of nonnative contacts: 78.947
4967 contact order: 0.232
4968 TM-score with the reference structure: 0.29
4971 Virtual-chain energies:
4973 EVDW= -5.137156E+01 WEIGHT= 1.352790D+00 (SC-SC)
4974 EVDW2= 3.826055E+01 WEIGHT= 1.593040D+00 (SC-p)
4975 EES= -5.567244E+01 WEIGHT= 7.153400D-01 (p-p)
4976 EVDWPP= -3.534349E+01 WEIGHT= 1.137100D-01 (p-p VDW)
4977 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
4978 EBE= -3.385073E+01 WEIGHT= 1.138730D+00 (bending)
4979 ESC= 3.354439E+01 WEIGHT= 1.625800D-01 (SC local)
4980 ETORS= 2.827096E+00 WEIGHT= 1.985990D+00 (torsional)
4981 ETORSD= 4.225704E-01 WEIGHT= 1.570690D+00 (double torsional)
4982 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
4983 ECORR4= -3.948159E+01 WEIGHT= 4.288700D-01 (multi-body)
4984 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4985 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
4986 EELLO= -1.189868E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
4987 ETURN3= 6.395222E+00 WEIGHT= 1.687220D+00 (turns, 3rd order)
4988 ETURN4= 1.667000E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
4989 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
4990 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
4991 EDIHC= 0.000000E+00 (dihedral angle constraints)
4992 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
4993 UCONST= 0.000000E+00 (Constraint energy)
4994 EDFAD= 2.377498-315 (DFA distance energy)
4995 EDFAT= 6.953299-310 (DFA torsion energy)
4996 EDFAN= 1.976263-323 (DFA NCa energy)
4997 EDFAB= 8.487983-314 (DFA Beta energy)
4998 ETOT= -8.443194E+01 (total)
4999 RMS deviation from the reference structure: 4.404
5000 % of native contacts: 25.000
5001 % of nonnative contacts: 83.333
5002 contact order: 0.432
5003 TM-score with the reference structure: 0.16
5006 Virtual-chain energies:
5008 EVDW= -5.367335E+01 WEIGHT= 1.352790D+00 (SC-SC)
5009 EVDW2= 5.318763E+01 WEIGHT= 1.593040D+00 (SC-p)
5010 EES= -1.058133E+02 WEIGHT= 7.153400D-01 (p-p)
5011 EVDWPP= -2.406713E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5012 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5013 EBE= -4.243962E+01 WEIGHT= 1.138730D+00 (bending)
5014 ESC= 3.746250E+01 WEIGHT= 1.625800D-01 (SC local)
5015 ETORS= 1.207439E+01 WEIGHT= 1.985990D+00 (torsional)
5016 ETORSD= -4.580578E-01 WEIGHT= 1.570690D+00 (double torsional)
5017 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5018 ECORR4= -7.450450E+01 WEIGHT= 4.288700D-01 (multi-body)
5019 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5020 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5021 EELLO= -1.356087E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5022 ETURN3= 2.003313E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5023 ETURN4= -2.817199E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5024 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5025 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5026 EDIHC= 0.000000E+00 (dihedral angle constraints)
5027 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5028 UCONST= 0.000000E+00 (Constraint energy)
5029 EDFAD= 2.377498-315 (DFA distance energy)
5030 EDFAT= 6.953299-310 (DFA torsion energy)
5031 EDFAN= 1.976263-323 (DFA NCa energy)
5032 EDFAB= 8.487983-314 (DFA Beta energy)
5033 ETOT= -8.552006E+01 (total)
5034 RMS deviation from the reference structure: 4.658
5035 % of native contacts: 25.000
5036 % of nonnative contacts: 86.957
5037 contact order: 0.318
5038 TM-score with the reference structure: 0.28
5041 Virtual-chain energies:
5043 EVDW= -5.300634E+01 WEIGHT= 1.352790D+00 (SC-SC)
5044 EVDW2= 3.615508E+01 WEIGHT= 1.593040D+00 (SC-p)
5045 EES= -6.090571E+01 WEIGHT= 7.153400D-01 (p-p)
5046 EVDWPP= -2.887526E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5047 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5048 EBE= -3.653731E+01 WEIGHT= 1.138730D+00 (bending)
5049 ESC= 4.899934E+01 WEIGHT= 1.625800D-01 (SC local)
5050 ETORS= 4.951002E+00 WEIGHT= 1.985990D+00 (torsional)
5051 ETORSD= 4.423525E-02 WEIGHT= 1.570690D+00 (double torsional)
5052 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5053 ECORR4= -4.299857E+01 WEIGHT= 4.288700D-01 (multi-body)
5054 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5055 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5056 EELLO= -3.560420E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5057 ETURN3= 1.260466E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5058 ETURN4= -3.665032E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5059 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5060 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5061 EDIHC= 0.000000E+00 (dihedral angle constraints)
5062 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5063 UCONST= 0.000000E+00 (Constraint energy)
5064 EDFAD= 2.377498-315 (DFA distance energy)
5065 EDFAT= 6.953299-310 (DFA torsion energy)
5066 EDFAN= 1.976263-323 (DFA NCa energy)
5067 EDFAB= 8.487983-314 (DFA Beta energy)
5068 ETOT= -8.435777E+01 (total)
5069 RMS deviation from the reference structure: 4.236
5070 % of native contacts: 50.000
5071 % of nonnative contacts: 68.421
5072 contact order: 0.400
5073 TM-score with the reference structure: 0.24
5076 Virtual-chain energies:
5078 EVDW= -5.244727E+01 WEIGHT= 1.352790D+00 (SC-SC)
5079 EVDW2= 5.734513E+01 WEIGHT= 1.593040D+00 (SC-p)
5080 EES= -1.172651E+02 WEIGHT= 7.153400D-01 (p-p)
5081 EVDWPP= -1.521873E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5082 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5083 EBE= -4.199965E+01 WEIGHT= 1.138730D+00 (bending)
5084 ESC= 4.745964E+01 WEIGHT= 1.625800D-01 (SC local)
5085 ETORS= 1.357475E+01 WEIGHT= 1.985990D+00 (torsional)
5086 ETORSD= -1.633357E+00 WEIGHT= 1.570690D+00 (double torsional)
5087 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5088 ECORR4= -9.060955E+01 WEIGHT= 4.288700D-01 (multi-body)
5089 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5090 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5091 EELLO= -1.337503E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5092 ETURN3= 1.868176E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5093 ETURN4= -1.054648E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5094 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5095 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5096 EDIHC= 0.000000E+00 (dihedral angle constraints)
5097 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5098 UCONST= 0.000000E+00 (Constraint energy)
5099 EDFAD= 2.377498-315 (DFA distance energy)
5100 EDFAT= 6.953299-310 (DFA torsion energy)
5101 EDFAN= 1.976263-323 (DFA NCa energy)
5102 EDFAB= 8.487983-314 (DFA Beta energy)
5103 ETOT= -8.835924E+01 (total)
5104 RMS deviation from the reference structure: 2.565
5105 % of native contacts: 50.000
5106 % of nonnative contacts: 64.706
5107 contact order: 0.316
5108 TM-score with the reference structure: 0.30
5111 Virtual-chain energies:
5113 EVDW= -5.645152E+01 WEIGHT= 1.352790D+00 (SC-SC)
5114 EVDW2= 6.044598E+01 WEIGHT= 1.593040D+00 (SC-p)
5115 EES= -1.145363E+02 WEIGHT= 7.153400D-01 (p-p)
5116 EVDWPP= -2.092802E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5117 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5118 EBE= -4.030258E+01 WEIGHT= 1.138730D+00 (bending)
5119 ESC= 3.586688E+01 WEIGHT= 1.625800D-01 (SC local)
5120 ETORS= 1.183785E+01 WEIGHT= 1.985990D+00 (torsional)
5121 ETORSD= 2.569806E-01 WEIGHT= 1.570690D+00 (double torsional)
5122 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5123 ECORR4= -8.174136E+01 WEIGHT= 4.288700D-01 (multi-body)
5124 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5125 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5126 EELLO= -1.712786E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5127 ETURN3= 1.731777E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5128 ETURN4= -6.682442E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
5129 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5130 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5131 EDIHC= 0.000000E+00 (dihedral angle constraints)
5132 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5133 UCONST= 0.000000E+00 (Constraint energy)
5134 EDFAD= 2.377498-315 (DFA distance energy)
5135 EDFAT= 6.953299-310 (DFA torsion energy)
5136 EDFAN= 1.976263-323 (DFA NCa energy)
5137 EDFAB= 8.487983-314 (DFA Beta energy)
5138 ETOT= -8.669181E+01 (total)
5139 RMS deviation from the reference structure: 4.091
5140 % of native contacts: 33.333
5141 % of nonnative contacts: 85.185
5142 contact order: 0.357
5143 TM-score with the reference structure: 0.29
5146 Virtual-chain energies:
5148 EVDW= -5.034205E+01 WEIGHT= 1.352790D+00 (SC-SC)
5149 EVDW2= 5.442170E+01 WEIGHT= 1.593040D+00 (SC-p)
5150 EES= -1.209548E+02 WEIGHT= 7.153400D-01 (p-p)
5151 EVDWPP= -9.416208E+00 WEIGHT= 1.137100D-01 (p-p VDW)
5152 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5153 EBE= -4.015084E+01 WEIGHT= 1.138730D+00 (bending)
5154 ESC= 3.578630E+01 WEIGHT= 1.625800D-01 (SC local)
5155 ETORS= 1.459114E+01 WEIGHT= 1.985990D+00 (torsional)
5156 ETORSD= -1.096650E+00 WEIGHT= 1.570690D+00 (double torsional)
5157 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5158 ECORR4= -9.000035E+01 WEIGHT= 4.288700D-01 (multi-body)
5159 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5160 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5161 EELLO= -6.524371E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5162 ETURN3= 2.030175E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5163 ETURN4= 6.079497E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5164 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5165 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5166 EDIHC= 0.000000E+00 (dihedral angle constraints)
5167 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5168 UCONST= 0.000000E+00 (Constraint energy)
5169 EDFAD= 2.377498-315 (DFA distance energy)
5170 EDFAT= 6.953299-310 (DFA torsion energy)
5171 EDFAN= 1.976263-323 (DFA NCa energy)
5172 EDFAB= 8.487983-314 (DFA Beta energy)
5173 ETOT= -8.569521E+01 (total)
5174 RMS deviation from the reference structure: 1.555
5175 % of native contacts: 66.667
5176 % of nonnative contacts: 60.000
5177 contact order: 0.264
5178 TM-score with the reference structure: 0.33
5181 Virtual-chain energies:
5183 EVDW= -4.896797E+01 WEIGHT= 1.352790D+00 (SC-SC)
5184 EVDW2= 3.899688E+01 WEIGHT= 1.593040D+00 (SC-p)
5185 EES= -7.384341E+01 WEIGHT= 7.153400D-01 (p-p)
5186 EVDWPP= -2.361884E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5187 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5188 EBE= -3.763436E+01 WEIGHT= 1.138730D+00 (bending)
5189 ESC= 2.108321E+01 WEIGHT= 1.625800D-01 (SC local)
5190 ETORS= 7.451765E+00 WEIGHT= 1.985990D+00 (torsional)
5191 ETORSD= -2.117554E+00 WEIGHT= 1.570690D+00 (double torsional)
5192 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5193 ECORR4= -5.527031E+01 WEIGHT= 4.288700D-01 (multi-body)
5194 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5195 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5196 EELLO= -8.815640E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5197 ETURN3= 1.597311E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5198 ETURN4= 6.878322E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5199 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5200 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5201 EDIHC= 0.000000E+00 (dihedral angle constraints)
5202 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5203 UCONST= 0.000000E+00 (Constraint energy)
5204 EDFAD= 2.377498-315 (DFA distance energy)
5205 EDFAT= 6.953299-310 (DFA torsion energy)
5206 EDFAN= 1.976263-323 (DFA NCa energy)
5207 EDFAB= 8.487983-314 (DFA Beta energy)
5208 ETOT= -8.402264E+01 (total)
5209 RMS deviation from the reference structure: 4.847
5210 % of native contacts: 25.000
5211 % of nonnative contacts: 82.353
5212 contact order: 0.393
5213 TM-score with the reference structure: 0.28
5216 Virtual-chain energies:
5218 EVDW= -5.168287E+01 WEIGHT= 1.352790D+00 (SC-SC)
5219 EVDW2= 4.466215E+01 WEIGHT= 1.593040D+00 (SC-p)
5220 EES= -8.769282E+01 WEIGHT= 7.153400D-01 (p-p)
5221 EVDWPP= -1.996642E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5222 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5223 EBE= -3.757046E+01 WEIGHT= 1.138730D+00 (bending)
5224 ESC= 4.149283E+01 WEIGHT= 1.625800D-01 (SC local)
5225 ETORS= 8.785044E+00 WEIGHT= 1.985990D+00 (torsional)
5226 ETORSD= -2.049605E+00 WEIGHT= 1.570690D+00 (double torsional)
5227 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5228 ECORR4= -6.622622E+01 WEIGHT= 4.288700D-01 (multi-body)
5229 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5230 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5231 EELLO= -1.141042E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5232 ETURN3= 1.805023E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5233 ETURN4= -2.270394E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5234 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5235 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5236 EDIHC= 0.000000E+00 (dihedral angle constraints)
5237 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5238 UCONST= 0.000000E+00 (Constraint energy)
5239 EDFAD= 2.377498-315 (DFA distance energy)
5240 EDFAT= 6.953299-310 (DFA torsion energy)
5241 EDFAN= 1.976263-323 (DFA NCa energy)
5242 EDFAB= 8.487983-314 (DFA Beta energy)
5243 ETOT= -8.521141E+01 (total)
5244 RMS deviation from the reference structure: 4.999
5245 % of native contacts: 41.667
5246 % of nonnative contacts: 75.000
5247 contact order: 0.332
5248 TM-score with the reference structure: 0.31
5251 Virtual-chain energies:
5253 EVDW= -5.547648E+01 WEIGHT= 1.352790D+00 (SC-SC)
5254 EVDW2= 5.257667E+01 WEIGHT= 1.593040D+00 (SC-p)
5255 EES= -1.074344E+02 WEIGHT= 7.153400D-01 (p-p)
5256 EVDWPP= -2.074808E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5257 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5258 EBE= -3.852280E+01 WEIGHT= 1.138730D+00 (bending)
5259 ESC= 3.704278E+01 WEIGHT= 1.625800D-01 (SC local)
5260 ETORS= 1.247299E+01 WEIGHT= 1.985990D+00 (torsional)
5261 ETORSD= -1.450897E+00 WEIGHT= 1.570690D+00 (double torsional)
5262 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5263 ECORR4= -8.047102E+01 WEIGHT= 4.288700D-01 (multi-body)
5264 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5265 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5266 EELLO= -2.462344E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5267 ETURN3= 2.058169E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5268 ETURN4= 9.036316E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
5269 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5270 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5271 EDIHC= 0.000000E+00 (dihedral angle constraints)
5272 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5273 UCONST= 0.000000E+00 (Constraint energy)
5274 EDFAD= 2.377498-315 (DFA distance energy)
5275 EDFAT= 6.953299-310 (DFA torsion energy)
5276 EDFAN= 1.976263-323 (DFA NCa energy)
5277 EDFAB= 8.487983-314 (DFA Beta energy)
5278 ETOT= -8.597576E+01 (total)
5279 RMS deviation from the reference structure: 2.114
5280 % of native contacts: 58.333
5281 % of nonnative contacts: 69.565
5282 contact order: 0.354
5283 TM-score with the reference structure: 0.30
5286 Virtual-chain energies:
5288 EVDW= -5.575753E+01 WEIGHT= 1.352790D+00 (SC-SC)
5289 EVDW2= 5.509284E+01 WEIGHT= 1.593040D+00 (SC-p)
5290 EES= -1.110953E+02 WEIGHT= 7.153400D-01 (p-p)
5291 EVDWPP= -2.497661E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5292 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5293 EBE= -3.835896E+01 WEIGHT= 1.138730D+00 (bending)
5294 ESC= 4.966412E+01 WEIGHT= 1.625800D-01 (SC local)
5295 ETORS= 1.307339E+01 WEIGHT= 1.985990D+00 (torsional)
5296 ETORSD= -1.560249E+00 WEIGHT= 1.570690D+00 (double torsional)
5297 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5298 ECORR4= -8.435212E+01 WEIGHT= 4.288700D-01 (multi-body)
5299 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5300 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5301 EELLO= -2.372683E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5302 ETURN3= 1.993729E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5303 ETURN4= -5.666365E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5304 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5305 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5306 EDIHC= 0.000000E+00 (dihedral angle constraints)
5307 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5308 UCONST= 0.000000E+00 (Constraint energy)
5309 EDFAD= 2.377498-315 (DFA distance energy)
5310 EDFAT= 6.953299-310 (DFA torsion energy)
5311 EDFAN= 1.976263-323 (DFA NCa energy)
5312 EDFAB= 8.487983-314 (DFA Beta energy)
5313 ETOT= -8.536057E+01 (total)
5314 RMS deviation from the reference structure: 2.696
5315 % of native contacts: 50.000
5316 % of nonnative contacts: 68.421
5317 contact order: 0.342
5318 TM-score with the reference structure: 0.30
5321 Virtual-chain energies:
5323 EVDW= -4.706778E+01 WEIGHT= 1.352790D+00 (SC-SC)
5324 EVDW2= 4.079802E+01 WEIGHT= 1.593040D+00 (SC-p)
5325 EES= -7.896255E+01 WEIGHT= 7.153400D-01 (p-p)
5326 EVDWPP= -1.797725E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5327 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5328 EBE= -4.035765E+01 WEIGHT= 1.138730D+00 (bending)
5329 ESC= 2.621484E+01 WEIGHT= 1.625800D-01 (SC local)
5330 ETORS= 7.445699E+00 WEIGHT= 1.985990D+00 (torsional)
5331 ETORSD= 7.402409E-01 WEIGHT= 1.570690D+00 (double torsional)
5332 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5333 ECORR4= -5.810555E+01 WEIGHT= 4.288700D-01 (multi-body)
5334 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5335 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5336 EELLO= -1.798875E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5337 ETURN3= 1.595764E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5338 ETURN4= -4.683044E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5339 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5340 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5341 EDIHC= 0.000000E+00 (dihedral angle constraints)
5342 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5343 UCONST= 0.000000E+00 (Constraint energy)
5344 EDFAD= 2.377498-315 (DFA distance energy)
5345 EDFAT= 6.953299-310 (DFA torsion energy)
5346 EDFAN= 1.976263-323 (DFA NCa energy)
5347 EDFAB= 8.487983-314 (DFA Beta energy)
5348 ETOT= -8.433961E+01 (total)
5349 RMS deviation from the reference structure: 4.735
5350 % of native contacts: 25.000
5351 % of nonnative contacts: 84.211
5352 contact order: 0.404
5353 TM-score with the reference structure: 0.30
5356 Virtual-chain energies:
5358 EVDW= -5.155740E+01 WEIGHT= 1.352790D+00 (SC-SC)
5359 EVDW2= 4.819225E+01 WEIGHT= 1.593040D+00 (SC-p)
5360 EES= -8.335415E+01 WEIGHT= 7.153400D-01 (p-p)
5361 EVDWPP= -3.925201E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5362 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5363 EBE= -3.648122E+01 WEIGHT= 1.138730D+00 (bending)
5364 ESC= 2.712286E+01 WEIGHT= 1.625800D-01 (SC local)
5365 ETORS= 7.176786E+00 WEIGHT= 1.985990D+00 (torsional)
5366 ETORSD= -1.216196E-02 WEIGHT= 1.570690D+00 (double torsional)
5367 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5368 ECORR4= -6.235443E+01 WEIGHT= 4.288700D-01 (multi-body)
5369 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5370 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5371 EELLO= -5.791411E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5372 ETURN3= 1.316162E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5373 ETURN4= -1.942828E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5374 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5375 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5376 EDIHC= 0.000000E+00 (dihedral angle constraints)
5377 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5378 UCONST= 0.000000E+00 (Constraint energy)
5379 EDFAD= 2.377498-315 (DFA distance energy)
5380 EDFAT= 6.953299-310 (DFA torsion energy)
5381 EDFAN= 1.976263-323 (DFA NCa energy)
5382 EDFAB= 8.487983-314 (DFA Beta energy)
5383 ETOT= -8.671359E+01 (total)
5384 RMS deviation from the reference structure: 3.593
5385 % of native contacts: 41.667
5386 % of nonnative contacts: 76.190
5387 contact order: 0.381
5388 TM-score with the reference structure: 0.27
5391 Virtual-chain energies:
5393 EVDW= -5.359520E+01 WEIGHT= 1.352790D+00 (SC-SC)
5394 EVDW2= 4.873015E+01 WEIGHT= 1.593040D+00 (SC-p)
5395 EES= -8.716418E+01 WEIGHT= 7.153400D-01 (p-p)
5396 EVDWPP= -3.501093E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5397 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5398 EBE= -3.731397E+01 WEIGHT= 1.138730D+00 (bending)
5399 ESC= 4.018699E+01 WEIGHT= 1.625800D-01 (SC local)
5400 ETORS= 7.680233E+00 WEIGHT= 1.985990D+00 (torsional)
5401 ETORSD= -8.194496E-01 WEIGHT= 1.570690D+00 (double torsional)
5402 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5403 ECORR4= -6.604673E+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= -4.929522E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5407 ETURN3= 1.525267E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5408 ETURN4= -1.006970E+00 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= 2.377498-315 (DFA distance energy)
5415 EDFAT= 6.953299-310 (DFA torsion energy)
5416 EDFAN= 1.976263-323 (DFA NCa energy)
5417 EDFAB= 8.487983-314 (DFA Beta energy)
5418 ETOT= -8.724651E+01 (total)
5419 RMS deviation from the reference structure: 3.544
5420 % of native contacts: 58.333
5421 % of nonnative contacts: 65.000
5422 contact order: 0.318
5423 TM-score with the reference structure: 0.28
5426 Virtual-chain energies:
5428 EVDW= -5.240861E+01 WEIGHT= 1.352790D+00 (SC-SC)
5429 EVDW2= 4.463184E+01 WEIGHT= 1.593040D+00 (SC-p)
5430 EES= -7.976357E+01 WEIGHT= 7.153400D-01 (p-p)
5431 EVDWPP= -3.251548E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5432 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5433 EBE= -3.889332E+01 WEIGHT= 1.138730D+00 (bending)
5434 ESC= 3.021376E+01 WEIGHT= 1.625800D-01 (SC local)
5435 ETORS= 8.528147E+00 WEIGHT= 1.985990D+00 (torsional)
5436 ETORSD= -1.299416E+00 WEIGHT= 1.570690D+00 (double torsional)
5437 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5438 ECORR4= -6.016904E+01 WEIGHT= 4.288700D-01 (multi-body)
5439 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5440 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5441 EELLO= -3.474934E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5442 ETURN3= 1.497718E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5443 ETURN4= -9.722638E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
5444 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5445 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5446 EDIHC= 0.000000E+00 (dihedral angle constraints)
5447 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5448 UCONST= 0.000000E+00 (Constraint energy)
5449 EDFAD= 2.377498-315 (DFA distance energy)
5450 EDFAT= 6.953299-310 (DFA torsion energy)
5451 EDFAN= 1.976263-323 (DFA NCa energy)
5452 EDFAB= 8.487983-314 (DFA Beta energy)
5453 ETOT= -8.619048E+01 (total)
5454 RMS deviation from the reference structure: 3.750
5455 % of native contacts: 41.667
5456 % of nonnative contacts: 76.190
5457 contact order: 0.390
5458 TM-score with the reference structure: 0.30
5461 Virtual-chain energies:
5463 EVDW= -5.396918E+01 WEIGHT= 1.352790D+00 (SC-SC)
5464 EVDW2= 4.430139E+01 WEIGHT= 1.593040D+00 (SC-p)
5465 EES= -8.179463E+01 WEIGHT= 7.153400D-01 (p-p)
5466 EVDWPP= -3.128989E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5467 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5468 EBE= -3.421375E+01 WEIGHT= 1.138730D+00 (bending)
5469 ESC= 4.086691E+01 WEIGHT= 1.625800D-01 (SC local)
5470 ETORS= 6.028777E+00 WEIGHT= 1.985990D+00 (torsional)
5471 ETORSD= 2.895196E-01 WEIGHT= 1.570690D+00 (double torsional)
5472 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5473 ECORR4= -6.095508E+01 WEIGHT= 4.288700D-01 (multi-body)
5474 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5475 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5476 EELLO= -2.618368E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5477 ETURN3= 1.479259E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5478 ETURN4= -5.330205E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
5479 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5480 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5481 EDIHC= 0.000000E+00 (dihedral angle constraints)
5482 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5483 UCONST= 0.000000E+00 (Constraint energy)
5484 EDFAD= 2.377498-315 (DFA distance energy)
5485 EDFAT= 6.953299-310 (DFA torsion energy)
5486 EDFAN= 1.976263-323 (DFA NCa energy)
5487 EDFAB= 8.487983-314 (DFA Beta energy)
5488 ETOT= -8.603089E+01 (total)
5489 RMS deviation from the reference structure: 3.301
5490 % of native contacts: 66.667
5491 % of nonnative contacts: 60.000
5492 contact order: 0.295
5493 TM-score with the reference structure: 0.30
5496 Virtual-chain energies:
5498 EVDW= -5.330571E+01 WEIGHT= 1.352790D+00 (SC-SC)
5499 EVDW2= 4.282896E+01 WEIGHT= 1.593040D+00 (SC-p)
5500 EES= -8.267857E+01 WEIGHT= 7.153400D-01 (p-p)
5501 EVDWPP= -1.994821E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5502 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5503 EBE= -3.994139E+01 WEIGHT= 1.138730D+00 (bending)
5504 ESC= 3.598401E+01 WEIGHT= 1.625800D-01 (SC local)
5505 ETORS= 9.245756E+00 WEIGHT= 1.985990D+00 (torsional)
5506 ETORSD= -4.582350E-01 WEIGHT= 1.570690D+00 (double torsional)
5507 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5508 ECORR4= -5.968019E+01 WEIGHT= 4.288700D-01 (multi-body)
5509 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5510 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5511 EELLO= 1.226798E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5512 ETURN3= 1.780270E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5513 ETURN4= -1.050122E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5514 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5515 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5516 EDIHC= 0.000000E+00 (dihedral angle constraints)
5517 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5518 UCONST= 0.000000E+00 (Constraint energy)
5519 EDFAD= 2.377498-315 (DFA distance energy)
5520 EDFAT= 6.953299-310 (DFA torsion energy)
5521 EDFAN= 1.976263-323 (DFA NCa energy)
5522 EDFAB= 8.487983-314 (DFA Beta energy)
5523 ETOT= -8.334147E+01 (total)
5524 RMS deviation from the reference structure: 4.004
5525 % of native contacts: 33.333
5526 % of nonnative contacts: 78.947
5527 contact order: 0.361
5528 TM-score with the reference structure: 0.28
5531 Virtual-chain energies:
5533 EVDW= -5.315670E+01 WEIGHT= 1.352790D+00 (SC-SC)
5534 EVDW2= 4.772062E+01 WEIGHT= 1.593040D+00 (SC-p)
5535 EES= -8.983713E+01 WEIGHT= 7.153400D-01 (p-p)
5536 EVDWPP= -3.007515E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5537 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5538 EBE= -3.848400E+01 WEIGHT= 1.138730D+00 (bending)
5539 ESC= 4.971038E+01 WEIGHT= 1.625800D-01 (SC local)
5540 ETORS= 7.032008E+00 WEIGHT= 1.985990D+00 (torsional)
5541 ETORSD= 2.546373E-01 WEIGHT= 1.570690D+00 (double torsional)
5542 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5543 ECORR4= -6.816310E+01 WEIGHT= 4.288700D-01 (multi-body)
5544 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5545 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5546 EELLO= -4.178448E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5547 ETURN3= 1.548422E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5548 ETURN4= -1.915491E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5549 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5550 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5551 EDIHC= 0.000000E+00 (dihedral angle constraints)
5552 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5553 UCONST= 0.000000E+00 (Constraint energy)
5554 EDFAD= 2.377498-315 (DFA distance energy)
5555 EDFAT= 6.953299-310 (DFA torsion energy)
5556 EDFAN= 1.976263-323 (DFA NCa energy)
5557 EDFAB= 8.487983-314 (DFA Beta energy)
5558 ETOT= -8.999497E+01 (total)
5559 RMS deviation from the reference structure: 3.174
5560 % of native contacts: 66.667
5561 % of nonnative contacts: 63.636
5562 contact order: 0.275
5563 TM-score with the reference structure: 0.30
5566 Virtual-chain energies:
5568 EVDW= -5.568478E+01 WEIGHT= 1.352790D+00 (SC-SC)
5569 EVDW2= 4.586926E+01 WEIGHT= 1.593040D+00 (SC-p)
5570 EES= -8.771879E+01 WEIGHT= 7.153400D-01 (p-p)
5571 EVDWPP= -2.086866E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5572 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5573 EBE= -3.770631E+01 WEIGHT= 1.138730D+00 (bending)
5574 ESC= 4.192693E+01 WEIGHT= 1.625800D-01 (SC local)
5575 ETORS= 8.376769E+00 WEIGHT= 1.985990D+00 (torsional)
5576 ETORSD= -3.042697E-01 WEIGHT= 1.570690D+00 (double torsional)
5577 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5578 ECORR4= -6.628283E+01 WEIGHT= 4.288700D-01 (multi-body)
5579 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5580 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5581 EELLO= 3.792471E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5582 ETURN3= 1.739286E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5583 ETURN4= -2.555316E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5584 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5585 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5586 EDIHC= 0.000000E+00 (dihedral angle constraints)
5587 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5588 UCONST= 0.000000E+00 (Constraint energy)
5589 EDFAD= 2.377498-315 (DFA distance energy)
5590 EDFAT= 6.953299-310 (DFA torsion energy)
5591 EDFAN= 1.976263-323 (DFA NCa energy)
5592 EDFAB= 8.487983-314 (DFA Beta energy)
5593 ETOT= -8.805524E+01 (total)
5594 RMS deviation from the reference structure: 4.108
5595 % of native contacts: 33.333
5596 % of nonnative contacts: 81.818
5597 contact order: 0.374
5598 TM-score with the reference structure: 0.27
5601 Virtual-chain energies:
5603 EVDW= -5.249585E+01 WEIGHT= 1.352790D+00 (SC-SC)
5604 EVDW2= 4.202786E+01 WEIGHT= 1.593040D+00 (SC-p)
5605 EES= -7.767928E+01 WEIGHT= 7.153400D-01 (p-p)
5606 EVDWPP= -2.826543E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5607 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5608 EBE= -3.674459E+01 WEIGHT= 1.138730D+00 (bending)
5609 ESC= 2.612666E+01 WEIGHT= 1.625800D-01 (SC local)
5610 ETORS= 7.759308E+00 WEIGHT= 1.985990D+00 (torsional)
5611 ETORSD= -1.920498E+00 WEIGHT= 1.570690D+00 (double torsional)
5612 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5613 ECORR4= -5.787297E+01 WEIGHT= 4.288700D-01 (multi-body)
5614 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5615 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5616 EELLO= 6.220521E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5617 ETURN3= 1.591956E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5618 ETURN4= 4.970434E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
5619 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5620 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5621 EDIHC= 0.000000E+00 (dihedral angle constraints)
5622 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5623 UCONST= 0.000000E+00 (Constraint energy)
5624 EDFAD= 2.377498-315 (DFA distance energy)
5625 EDFAT= 6.953299-310 (DFA torsion energy)
5626 EDFAN= 1.976263-323 (DFA NCa energy)
5627 EDFAB= 8.487983-314 (DFA Beta energy)
5628 ETOT= -8.587356E+01 (total)
5629 RMS deviation from the reference structure: 4.128
5630 % of native contacts: 25.000
5631 % of nonnative contacts: 85.714
5632 contact order: 0.405
5633 TM-score with the reference structure: 0.26
5636 Virtual-chain energies:
5638 EVDW= -5.102477E+01 WEIGHT= 1.352790D+00 (SC-SC)
5639 EVDW2= 5.347916E+01 WEIGHT= 1.593040D+00 (SC-p)
5640 EES= -1.144876E+02 WEIGHT= 7.153400D-01 (p-p)
5641 EVDWPP= -2.468088E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5642 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5643 EBE= -4.097735E+01 WEIGHT= 1.138730D+00 (bending)
5644 ESC= 3.815886E+01 WEIGHT= 1.625800D-01 (SC local)
5645 ETORS= 1.388736E+01 WEIGHT= 1.985990D+00 (torsional)
5646 ETORSD= 1.983706E+00 WEIGHT= 1.570690D+00 (double torsional)
5647 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5648 ECORR4= -8.097906E+01 WEIGHT= 4.288700D-01 (multi-body)
5649 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5650 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5651 EELLO= -7.695389E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5652 ETURN3= 1.882668E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5653 ETURN4= -1.962572E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5654 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5655 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5656 EDIHC= 0.000000E+00 (dihedral angle constraints)
5657 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5658 UCONST= 0.000000E+00 (Constraint energy)
5659 EDFAD= 2.377498-315 (DFA distance energy)
5660 EDFAT= 6.953299-310 (DFA torsion energy)
5661 EDFAN= 1.976263-323 (DFA NCa energy)
5662 EDFAB= 8.487983-314 (DFA Beta energy)
5663 ETOT= -8.379630E+01 (total)
5664 RMS deviation from the reference structure: 3.185
5665 % of native contacts: 33.333
5666 % of nonnative contacts: 80.000
5667 contact order: 0.291
5668 TM-score with the reference structure: 0.39
5671 Virtual-chain energies:
5673 EVDW= -5.177081E+01 WEIGHT= 1.352790D+00 (SC-SC)
5674 EVDW2= 4.779995E+01 WEIGHT= 1.593040D+00 (SC-p)
5675 EES= -8.842012E+01 WEIGHT= 7.153400D-01 (p-p)
5676 EVDWPP= -2.872860E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5677 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5678 EBE= -3.856523E+01 WEIGHT= 1.138730D+00 (bending)
5679 ESC= 5.905271E+01 WEIGHT= 1.625800D-01 (SC local)
5680 ETORS= 7.244510E+00 WEIGHT= 1.985990D+00 (torsional)
5681 ETORSD= -2.026737E+00 WEIGHT= 1.570690D+00 (double torsional)
5682 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5683 ECORR4= -6.770850E+01 WEIGHT= 4.288700D-01 (multi-body)
5684 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5685 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5686 EELLO= 3.308964E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5687 ETURN3= 1.675411E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5688 ETURN4= -7.434265E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5689 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5690 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5691 EDIHC= 0.000000E+00 (dihedral angle constraints)
5692 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5693 UCONST= 0.000000E+00 (Constraint energy)
5694 EDFAD= 2.377498-315 (DFA distance energy)
5695 EDFAT= 6.953299-310 (DFA torsion energy)
5696 EDFAN= 1.976263-323 (DFA NCa energy)
5697 EDFAB= 8.487983-314 (DFA Beta energy)
5698 ETOT= -8.424745E+01 (total)
5699 RMS deviation from the reference structure: 5.388
5700 % of native contacts: 33.333
5701 % of nonnative contacts: 80.000
5702 contact order: 0.230
5703 TM-score with the reference structure: 0.29
5706 Virtual-chain energies:
5708 EVDW= -5.147910E+01 WEIGHT= 1.352790D+00 (SC-SC)
5709 EVDW2= 4.633668E+01 WEIGHT= 1.593040D+00 (SC-p)
5710 EES= -9.433806E+01 WEIGHT= 7.153400D-01 (p-p)
5711 EVDWPP= -2.368878E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5712 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5713 EBE= -4.131296E+01 WEIGHT= 1.138730D+00 (bending)
5714 ESC= 3.050285E+01 WEIGHT= 1.625800D-01 (SC local)
5715 ETORS= 1.189208E+01 WEIGHT= 1.985990D+00 (torsional)
5716 ETORSD= -1.180633E+00 WEIGHT= 1.570690D+00 (double torsional)
5717 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5718 ECORR4= -6.699077E+01 WEIGHT= 4.288700D-01 (multi-body)
5719 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5720 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5721 EELLO= -2.127433E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5722 ETURN3= 1.639522E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5723 ETURN4= 1.167347E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5724 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5725 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5726 EDIHC= 0.000000E+00 (dihedral angle constraints)
5727 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5728 UCONST= 0.000000E+00 (Constraint energy)
5729 EDFAD= 2.377498-315 (DFA distance energy)
5730 EDFAT= 6.953299-310 (DFA torsion energy)
5731 EDFAN= 1.976263-323 (DFA NCa energy)
5732 EDFAB= 8.487983-314 (DFA Beta energy)
5733 ETOT= -8.695970E+01 (total)
5734 RMS deviation from the reference structure: 3.789
5735 % of native contacts: 33.333
5736 % of nonnative contacts: 80.000
5737 contact order: 0.393
5738 TM-score with the reference structure: 0.26
5741 Virtual-chain energies:
5743 EVDW= -5.595943E+01 WEIGHT= 1.352790D+00 (SC-SC)
5744 EVDW2= 4.650350E+01 WEIGHT= 1.593040D+00 (SC-p)
5745 EES= -8.998444E+01 WEIGHT= 7.153400D-01 (p-p)
5746 EVDWPP= -2.278258E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5747 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5748 EBE= -3.883673E+01 WEIGHT= 1.138730D+00 (bending)
5749 ESC= 4.943259E+01 WEIGHT= 1.625800D-01 (SC local)
5750 ETORS= 1.043143E+01 WEIGHT= 1.985990D+00 (torsional)
5751 ETORSD= -1.731756E+00 WEIGHT= 1.570690D+00 (double torsional)
5752 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5753 ECORR4= -6.305538E+01 WEIGHT= 4.288700D-01 (multi-body)
5754 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5755 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5756 EELLO= 1.827442E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5757 ETURN3= 1.947154E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5758 ETURN4= -5.488161E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5759 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5760 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5761 EDIHC= 0.000000E+00 (dihedral angle constraints)
5762 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5763 UCONST= 0.000000E+00 (Constraint energy)
5764 EDFAD= 2.377498-315 (DFA distance energy)
5765 EDFAT= 6.953299-310 (DFA torsion energy)
5766 EDFAN= 1.976263-323 (DFA NCa energy)
5767 EDFAB= 8.487983-314 (DFA Beta energy)
5768 ETOT= -8.430218E+01 (total)
5769 RMS deviation from the reference structure: 7.144
5770 % of native contacts: 16.667
5771 % of nonnative contacts: 90.000
5772 contact order: 0.270
5773 TM-score with the reference structure: 0.30
5776 Virtual-chain energies:
5778 EVDW= -5.279788E+01 WEIGHT= 1.352790D+00 (SC-SC)
5779 EVDW2= 4.320685E+01 WEIGHT= 1.593040D+00 (SC-p)
5780 EES= -8.623059E+01 WEIGHT= 7.153400D-01 (p-p)
5781 EVDWPP= -1.609650E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5782 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5783 EBE= -3.956218E+01 WEIGHT= 1.138730D+00 (bending)
5784 ESC= 5.898284E+01 WEIGHT= 1.625800D-01 (SC local)
5785 ETORS= 9.671272E+00 WEIGHT= 1.985990D+00 (torsional)
5786 ETORSD= -1.971715E+00 WEIGHT= 1.570690D+00 (double torsional)
5787 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5788 ECORR4= -6.391223E+01 WEIGHT= 4.288700D-01 (multi-body)
5789 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5790 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5791 EELLO= -1.117558E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5792 ETURN3= 1.837988E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5793 ETURN4= -4.530384E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5794 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5795 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5796 EDIHC= 0.000000E+00 (dihedral angle constraints)
5797 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5798 UCONST= 0.000000E+00 (Constraint energy)
5799 EDFAD= 2.377498-315 (DFA distance energy)
5800 EDFAT= 6.953299-310 (DFA torsion energy)
5801 EDFAN= 1.976263-323 (DFA NCa energy)
5802 EDFAB= 8.487983-314 (DFA Beta energy)
5803 ETOT= -8.503867E+01 (total)
5804 RMS deviation from the reference structure: 4.715
5805 % of native contacts: 41.667
5806 % of nonnative contacts: 73.684
5807 contact order: 0.337
5808 TM-score with the reference structure: 0.31
5811 Virtual-chain energies:
5813 EVDW= -5.228108E+01 WEIGHT= 1.352790D+00 (SC-SC)
5814 EVDW2= 4.964236E+01 WEIGHT= 1.593040D+00 (SC-p)
5815 EES= -9.320658E+01 WEIGHT= 7.153400D-01 (p-p)
5816 EVDWPP= -2.852553E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5817 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5818 EBE= -3.819485E+01 WEIGHT= 1.138730D+00 (bending)
5819 ESC= 4.190531E+01 WEIGHT= 1.625800D-01 (SC local)
5820 ETORS= 8.954316E+00 WEIGHT= 1.985990D+00 (torsional)
5821 ETORSD= -2.031568E+00 WEIGHT= 1.570690D+00 (double torsional)
5822 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5823 ECORR4= -6.496078E+01 WEIGHT= 4.288700D-01 (multi-body)
5824 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5825 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5826 EELLO= -2.981529E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
5827 ETURN3= 1.625953E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5828 ETURN4= 4.057453E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5829 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5830 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5831 EDIHC= 0.000000E+00 (dihedral angle constraints)
5832 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5833 UCONST= 0.000000E+00 (Constraint energy)
5834 EDFAD= 2.377498-315 (DFA distance energy)
5835 EDFAT= 6.953299-310 (DFA torsion energy)
5836 EDFAN= 1.976263-323 (DFA NCa energy)
5837 EDFAB= 8.487983-314 (DFA Beta energy)
5838 ETOT= -8.385496E+01 (total)
5839 RMS deviation from the reference structure: 4.542
5840 % of native contacts: 41.667
5841 % of nonnative contacts: 76.190
5842 contact order: 0.294
5843 TM-score with the reference structure: 0.28
5846 Virtual-chain energies:
5848 EVDW= -5.365630E+01 WEIGHT= 1.352790D+00 (SC-SC)
5849 EVDW2= 4.783554E+01 WEIGHT= 1.593040D+00 (SC-p)
5850 EES= -8.158657E+01 WEIGHT= 7.153400D-01 (p-p)
5851 EVDWPP= -4.130717E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5852 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5853 EBE= -3.800202E+01 WEIGHT= 1.138730D+00 (bending)
5854 ESC= 3.046999E+01 WEIGHT= 1.625800D-01 (SC local)
5855 ETORS= 7.342563E+00 WEIGHT= 1.985990D+00 (torsional)
5856 ETORSD= 8.754029E-02 WEIGHT= 1.570690D+00 (double torsional)
5857 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5858 ECORR4= -6.094887E+01 WEIGHT= 4.288700D-01 (multi-body)
5859 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5860 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5861 EELLO= -5.988724E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5862 ETURN3= 1.313683E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5863 ETURN4= -1.659102E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5864 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5865 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5866 EDIHC= 0.000000E+00 (dihedral angle constraints)
5867 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5868 UCONST= 0.000000E+00 (Constraint energy)
5869 EDFAD= 2.377498-315 (DFA distance energy)
5870 EDFAT= 6.953299-310 (DFA torsion energy)
5871 EDFAN= 1.976263-323 (DFA NCa energy)
5872 EDFAB= 8.487983-314 (DFA Beta energy)
5873 ETOT= -8.907503E+01 (total)
5874 RMS deviation from the reference structure: 3.731
5875 % of native contacts: 41.667
5876 % of nonnative contacts: 78.261
5877 contact order: 0.399
5878 TM-score with the reference structure: 0.29
5881 Virtual-chain energies:
5883 EVDW= -5.297241E+01 WEIGHT= 1.352790D+00 (SC-SC)
5884 EVDW2= 4.274991E+01 WEIGHT= 1.593040D+00 (SC-p)
5885 EES= -8.752533E+01 WEIGHT= 7.153400D-01 (p-p)
5886 EVDWPP= -2.449287E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5887 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5888 EBE= -3.874614E+01 WEIGHT= 1.138730D+00 (bending)
5889 ESC= 3.442281E+01 WEIGHT= 1.625800D-01 (SC local)
5890 ETORS= 9.875978E+00 WEIGHT= 1.985990D+00 (torsional)
5891 ETORSD= -1.382058E+00 WEIGHT= 1.570690D+00 (double torsional)
5892 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5893 ECORR4= -6.481851E+01 WEIGHT= 4.288700D-01 (multi-body)
5894 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5895 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5896 EELLO= -2.104275E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5897 ETURN3= 1.906682E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5898 ETURN4= -1.688554E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5899 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5900 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5901 EDIHC= 0.000000E+00 (dihedral angle constraints)
5902 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5903 UCONST= 0.000000E+00 (Constraint energy)
5904 EDFAD= 2.377498-315 (DFA distance energy)
5905 EDFAT= 6.953299-310 (DFA torsion energy)
5906 EDFAN= 1.976263-323 (DFA NCa energy)
5907 EDFAB= 8.487983-314 (DFA Beta energy)
5908 ETOT= -8.712038E+01 (total)
5909 RMS deviation from the reference structure: 3.306
5910 % of native contacts: 41.667
5911 % of nonnative contacts: 76.190
5912 contact order: 0.333
5913 TM-score with the reference structure: 0.30
5916 Virtual-chain energies:
5918 EVDW= -5.413707E+01 WEIGHT= 1.352790D+00 (SC-SC)
5919 EVDW2= 4.954998E+01 WEIGHT= 1.593040D+00 (SC-p)
5920 EES= -9.679720E+01 WEIGHT= 7.153400D-01 (p-p)
5921 EVDWPP= -2.856148E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5922 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5923 EBE= -4.094019E+01 WEIGHT= 1.138730D+00 (bending)
5924 ESC= 2.948753E+01 WEIGHT= 1.625800D-01 (SC local)
5925 ETORS= 1.011391E+01 WEIGHT= 1.985990D+00 (torsional)
5926 ETORSD= 1.502157E+00 WEIGHT= 1.570690D+00 (double torsional)
5927 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5928 ECORR4= -6.710999E+01 WEIGHT= 4.288700D-01 (multi-body)
5929 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5930 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5931 EELLO= -4.607027E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5932 ETURN3= 1.617396E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5933 ETURN4= 7.682222E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
5934 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5935 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5936 EDIHC= 0.000000E+00 (dihedral angle constraints)
5937 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5938 UCONST= 0.000000E+00 (Constraint energy)
5939 EDFAD= 2.377498-315 (DFA distance energy)
5940 EDFAT= 6.953299-310 (DFA torsion energy)
5941 EDFAN= 1.976263-323 (DFA NCa energy)
5942 EDFAB= 8.487983-314 (DFA Beta energy)
5943 ETOT= -8.789424E+01 (total)
5944 RMS deviation from the reference structure: 4.237
5945 % of native contacts: 33.333
5946 % of nonnative contacts: 81.818
5947 contact order: 0.382
5948 TM-score with the reference structure: 0.22
5951 Virtual-chain energies:
5953 EVDW= -5.313241E+01 WEIGHT= 1.352790D+00 (SC-SC)
5954 EVDW2= 4.463756E+01 WEIGHT= 1.593040D+00 (SC-p)
5955 EES= -8.413626E+01 WEIGHT= 7.153400D-01 (p-p)
5956 EVDWPP= -3.015790E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5957 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5958 EBE= -3.651385E+01 WEIGHT= 1.138730D+00 (bending)
5959 ESC= 2.545178E+01 WEIGHT= 1.625800D-01 (SC local)
5960 ETORS= 8.548845E+00 WEIGHT= 1.985990D+00 (torsional)
5961 ETORSD= -1.278906E+00 WEIGHT= 1.570690D+00 (double torsional)
5962 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5963 ECORR4= -6.113233E+01 WEIGHT= 4.288700D-01 (multi-body)
5964 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5965 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
5966 EELLO= 4.911370E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
5967 ETURN3= 1.596022E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
5968 ETURN4= 2.487297E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
5969 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
5970 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
5971 EDIHC= 0.000000E+00 (dihedral angle constraints)
5972 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
5973 UCONST= 0.000000E+00 (Constraint energy)
5974 EDFAD= 2.377498-315 (DFA distance energy)
5975 EDFAT= 6.953299-310 (DFA torsion energy)
5976 EDFAN= 1.976263-323 (DFA NCa energy)
5977 EDFAB= 8.487983-314 (DFA Beta energy)
5978 ETOT= -8.370968E+01 (total)
5979 RMS deviation from the reference structure: 2.831
5980 % of native contacts: 66.667
5981 % of nonnative contacts: 57.895
5982 contact order: 0.344
5983 TM-score with the reference structure: 0.28
5986 Virtual-chain energies:
5988 EVDW= -5.153043E+01 WEIGHT= 1.352790D+00 (SC-SC)
5989 EVDW2= 3.612541E+01 WEIGHT= 1.593040D+00 (SC-p)
5990 EES= -6.648732E+01 WEIGHT= 7.153400D-01 (p-p)
5991 EVDWPP= -2.668268E+01 WEIGHT= 1.137100D-01 (p-p VDW)
5992 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
5993 EBE= -3.891116E+01 WEIGHT= 1.138730D+00 (bending)
5994 ESC= 3.558674E+01 WEIGHT= 1.625800D-01 (SC local)
5995 ETORS= 8.961971E+00 WEIGHT= 1.985990D+00 (torsional)
5996 ETORSD= -2.282328E+00 WEIGHT= 1.570690D+00 (double torsional)
5997 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
5998 ECORR4= -4.938078E+01 WEIGHT= 4.288700D-01 (multi-body)
5999 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6000 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6001 EELLO= 4.734269E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6002 ETURN3= 1.432446E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6003 ETURN4= 3.015683E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6004 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6005 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6006 EDIHC= 0.000000E+00 (dihedral angle constraints)
6007 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6008 UCONST= 0.000000E+00 (Constraint energy)
6009 EDFAD= 2.377498-315 (DFA distance energy)
6010 EDFAT= 6.953299-310 (DFA torsion energy)
6011 EDFAN= 1.976263-323 (DFA NCa energy)
6012 EDFAB= 8.487983-314 (DFA Beta energy)
6013 ETOT= -8.379960E+01 (total)
6014 RMS deviation from the reference structure: 5.136
6015 % of native contacts: 33.333
6016 % of nonnative contacts: 78.947
6017 contact order: 0.361
6018 TM-score with the reference structure: 0.29
6021 Virtual-chain energies:
6023 EVDW= -5.333372E+01 WEIGHT= 1.352790D+00 (SC-SC)
6024 EVDW2= 4.214174E+01 WEIGHT= 1.593040D+00 (SC-p)
6025 EES= -7.906326E+01 WEIGHT= 7.153400D-01 (p-p)
6026 EVDWPP= -2.512722E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6027 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6028 EBE= -3.652211E+01 WEIGHT= 1.138730D+00 (bending)
6029 ESC= 4.160302E+01 WEIGHT= 1.625800D-01 (SC local)
6030 ETORS= 7.267970E+00 WEIGHT= 1.985990D+00 (torsional)
6031 ETORSD= -1.908139E-01 WEIGHT= 1.570690D+00 (double torsional)
6032 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6033 ECORR4= -6.039359E+01 WEIGHT= 4.288700D-01 (multi-body)
6034 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6035 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6036 EELLO= -2.218988E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6037 ETURN3= 1.594634E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6038 ETURN4= -1.696019E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6039 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6040 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6041 EDIHC= 0.000000E+00 (dihedral angle constraints)
6042 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6043 UCONST= 0.000000E+00 (Constraint energy)
6044 EDFAD= 2.377498-315 (DFA distance energy)
6045 EDFAT= 6.953299-310 (DFA torsion energy)
6046 EDFAN= 1.976263-323 (DFA NCa energy)
6047 EDFAB= 8.487983-314 (DFA Beta energy)
6048 ETOT= -8.559590E+01 (total)
6049 RMS deviation from the reference structure: 3.750
6050 % of native contacts: 41.667
6051 % of nonnative contacts: 76.190
6052 contact order: 0.310
6053 TM-score with the reference structure: 0.28
6056 Virtual-chain energies:
6058 EVDW= -5.233590E+01 WEIGHT= 1.352790D+00 (SC-SC)
6059 EVDW2= 4.579514E+01 WEIGHT= 1.593040D+00 (SC-p)
6060 EES= -8.564930E+01 WEIGHT= 7.153400D-01 (p-p)
6061 EVDWPP= -3.120477E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6062 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6063 EBE= -3.894754E+01 WEIGHT= 1.138730D+00 (bending)
6064 ESC= 4.277457E+01 WEIGHT= 1.625800D-01 (SC local)
6065 ETORS= 7.104404E+00 WEIGHT= 1.985990D+00 (torsional)
6066 ETORSD= 6.917440E-01 WEIGHT= 1.570690D+00 (double torsional)
6067 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6068 ECORR4= -6.483246E+01 WEIGHT= 4.288700D-01 (multi-body)
6069 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6070 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6071 EELLO= -3.661145E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6072 ETURN3= 1.583297E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6073 ETURN4= -2.424703E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6074 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6075 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6076 EDIHC= 0.000000E+00 (dihedral angle constraints)
6077 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6078 UCONST= 0.000000E+00 (Constraint energy)
6079 EDFAD= 2.377498-315 (DFA distance energy)
6080 EDFAT= 6.953299-310 (DFA torsion energy)
6081 EDFAN= 1.976263-323 (DFA NCa energy)
6082 EDFAB= 8.487983-314 (DFA Beta energy)
6083 ETOT= -8.814729E+01 (total)
6084 RMS deviation from the reference structure: 2.874
6085 % of native contacts: 50.000
6086 % of nonnative contacts: 68.421
6087 contact order: 0.280
6088 TM-score with the reference structure: 0.30
6091 Virtual-chain energies:
6093 EVDW= -5.458793E+01 WEIGHT= 1.352790D+00 (SC-SC)
6094 EVDW2= 4.766631E+01 WEIGHT= 1.593040D+00 (SC-p)
6095 EES= -9.173342E+01 WEIGHT= 7.153400D-01 (p-p)
6096 EVDWPP= -2.962083E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6097 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6098 EBE= -3.686263E+01 WEIGHT= 1.138730D+00 (bending)
6099 ESC= 4.840518E+01 WEIGHT= 1.625800D-01 (SC local)
6100 ETORS= 7.603432E+00 WEIGHT= 1.985990D+00 (torsional)
6101 ETORSD= 1.583738E-01 WEIGHT= 1.570690D+00 (double torsional)
6102 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6103 ECORR4= -6.969786E+01 WEIGHT= 4.288700D-01 (multi-body)
6104 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6105 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6106 EELLO= -5.235372E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6107 ETURN3= 1.642394E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6108 ETURN4= -1.159021E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6109 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6110 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6111 EDIHC= 0.000000E+00 (dihedral angle constraints)
6112 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6113 UCONST= 0.000000E+00 (Constraint energy)
6114 EDFAD= 2.377498-315 (DFA distance energy)
6115 EDFAT= 6.953299-310 (DFA torsion energy)
6116 EDFAN= 1.976263-323 (DFA NCa energy)
6117 EDFAB= 8.487983-314 (DFA Beta energy)
6118 ETOT= -8.944589E+01 (total)
6119 RMS deviation from the reference structure: 3.337
6120 % of native contacts: 66.667
6121 % of nonnative contacts: 65.217
6122 contact order: 0.292
6123 TM-score with the reference structure: 0.32
6126 Virtual-chain energies:
6128 EVDW= -5.590732E+01 WEIGHT= 1.352790D+00 (SC-SC)
6129 EVDW2= 5.995853E+01 WEIGHT= 1.593040D+00 (SC-p)
6130 EES= -1.141290E+02 WEIGHT= 7.153400D-01 (p-p)
6131 EVDWPP= -2.105990E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6132 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6133 EBE= -3.856202E+01 WEIGHT= 1.138730D+00 (bending)
6134 ESC= 3.525809E+01 WEIGHT= 1.625800D-01 (SC local)
6135 ETORS= 1.175106E+01 WEIGHT= 1.985990D+00 (torsional)
6136 ETORSD= 3.341591E-01 WEIGHT= 1.570690D+00 (double torsional)
6137 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6138 ECORR4= -8.129823E+01 WEIGHT= 4.288700D-01 (multi-body)
6139 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6140 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6141 EELLO= -1.773622E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6142 ETURN3= 1.723980E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6143 ETURN4= -2.179139E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6144 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6145 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6146 EDIHC= 0.000000E+00 (dihedral angle constraints)
6147 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6148 UCONST= 0.000000E+00 (Constraint energy)
6149 EDFAD= 2.377498-315 (DFA distance energy)
6150 EDFAT= 6.953299-310 (DFA torsion energy)
6151 EDFAN= 1.976263-323 (DFA NCa energy)
6152 EDFAB= 8.487983-314 (DFA Beta energy)
6153 ETOT= -8.467517E+01 (total)
6154 RMS deviation from the reference structure: 4.091
6155 % of native contacts: 33.333
6156 % of nonnative contacts: 84.615
6157 contact order: 0.348
6158 TM-score with the reference structure: 0.29
6161 Virtual-chain energies:
6163 EVDW= -5.107685E+01 WEIGHT= 1.352790D+00 (SC-SC)
6164 EVDW2= 4.019644E+01 WEIGHT= 1.593040D+00 (SC-p)
6165 EES= -8.102648E+01 WEIGHT= 7.153400D-01 (p-p)
6166 EVDWPP= -2.175857E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6167 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6168 EBE= -3.744361E+01 WEIGHT= 1.138730D+00 (bending)
6169 ESC= 4.045474E+01 WEIGHT= 1.625800D-01 (SC local)
6170 ETORS= 8.404197E+00 WEIGHT= 1.985990D+00 (torsional)
6171 ETORSD= 1.085575E+00 WEIGHT= 1.570690D+00 (double torsional)
6172 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6173 ECORR4= -5.901861E+01 WEIGHT= 4.288700D-01 (multi-body)
6174 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6175 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6176 EELLO= -2.145183E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6177 ETURN3= 1.564513E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6178 ETURN4= -2.510831E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6179 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6180 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6181 EDIHC= 0.000000E+00 (dihedral angle constraints)
6182 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6183 UCONST= 0.000000E+00 (Constraint energy)
6184 EDFAD= 2.377498-315 (DFA distance energy)
6185 EDFAT= 6.953299-310 (DFA torsion energy)
6186 EDFAN= 1.976263-323 (DFA NCa energy)
6187 EDFAB= 8.487983-314 (DFA Beta energy)
6188 ETOT= -8.408412E+01 (total)
6189 RMS deviation from the reference structure: 3.110
6190 % of native contacts: 33.333
6191 % of nonnative contacts: 76.471
6192 contact order: 0.299
6193 TM-score with the reference structure: 0.33
6196 Virtual-chain energies:
6198 EVDW= -5.217352E+01 WEIGHT= 1.352790D+00 (SC-SC)
6199 EVDW2= 5.316961E+01 WEIGHT= 1.593040D+00 (SC-p)
6200 EES= -1.069920E+02 WEIGHT= 7.153400D-01 (p-p)
6201 EVDWPP= -2.892002E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6202 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6203 EBE= -3.772511E+01 WEIGHT= 1.138730D+00 (bending)
6204 ESC= 4.512023E+01 WEIGHT= 1.625800D-01 (SC local)
6205 ETORS= 1.107330E+01 WEIGHT= 1.985990D+00 (torsional)
6206 ETORSD= -1.383318E+00 WEIGHT= 1.570690D+00 (double torsional)
6207 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6208 ECORR4= -8.063653E+01 WEIGHT= 4.288700D-01 (multi-body)
6209 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6210 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6211 EELLO= -6.405779E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6212 ETURN3= 1.858577E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6213 ETURN4= 4.245264E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6214 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6215 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6216 EDIHC= 0.000000E+00 (dihedral angle constraints)
6217 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6218 UCONST= 0.000000E+00 (Constraint energy)
6219 EDFAD= 2.377498-315 (DFA distance energy)
6220 EDFAT= 6.953299-310 (DFA torsion energy)
6221 EDFAN= 1.976263-323 (DFA NCa energy)
6222 EDFAB= 8.487983-314 (DFA Beta energy)
6223 ETOT= -8.547741E+01 (total)
6224 RMS deviation from the reference structure: 3.320
6225 % of native contacts: 16.667
6226 % of nonnative contacts: 88.235
6227 contact order: 0.214
6228 TM-score with the reference structure: 0.30
6231 Virtual-chain energies:
6233 EVDW= -4.839580E+01 WEIGHT= 1.352790D+00 (SC-SC)
6234 EVDW2= 4.889246E+01 WEIGHT= 1.593040D+00 (SC-p)
6235 EES= -9.598716E+01 WEIGHT= 7.153400D-01 (p-p)
6236 EVDWPP= -2.185314E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6237 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6238 EBE= -4.052576E+01 WEIGHT= 1.138730D+00 (bending)
6239 ESC= 3.004324E+01 WEIGHT= 1.625800D-01 (SC local)
6240 ETORS= 8.766751E+00 WEIGHT= 1.985990D+00 (torsional)
6241 ETORSD= -1.798647E+00 WEIGHT= 1.570690D+00 (double torsional)
6242 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6243 ECORR4= -6.964569E+01 WEIGHT= 4.288700D-01 (multi-body)
6244 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6245 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6246 EELLO= -3.281615E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6247 ETURN3= 1.899722E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6248 ETURN4= -1.695619E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6249 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6250 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6251 EDIHC= 0.000000E+00 (dihedral angle constraints)
6252 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6253 UCONST= 0.000000E+00 (Constraint energy)
6254 EDFAD= 2.377498-315 (DFA distance energy)
6255 EDFAT= 6.953299-310 (DFA torsion energy)
6256 EDFAN= 1.976263-323 (DFA NCa energy)
6257 EDFAB= 8.487983-314 (DFA Beta energy)
6258 ETOT= -8.487372E+01 (total)
6259 RMS deviation from the reference structure: 4.975
6260 % of native contacts: 25.000
6261 % of nonnative contacts: 84.211
6262 contact order: 0.347
6263 TM-score with the reference structure: 0.29
6266 Virtual-chain energies:
6268 EVDW= -5.015016E+01 WEIGHT= 1.352790D+00 (SC-SC)
6269 EVDW2= 5.113225E+01 WEIGHT= 1.593040D+00 (SC-p)
6270 EES= -9.474319E+01 WEIGHT= 7.153400D-01 (p-p)
6271 EVDWPP= -2.682693E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6272 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6273 EBE= -4.151048E+01 WEIGHT= 1.138730D+00 (bending)
6274 ESC= 3.973030E+01 WEIGHT= 1.625800D-01 (SC local)
6275 ETORS= 1.190882E+01 WEIGHT= 1.985990D+00 (torsional)
6276 ETORSD= -2.688993E+00 WEIGHT= 1.570690D+00 (double torsional)
6277 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6278 ECORR4= -7.420196E+01 WEIGHT= 4.288700D-01 (multi-body)
6279 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6280 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6281 EELLO= 1.938213E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6282 ETURN3= 1.491488E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6283 ETURN4= 2.365184E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6284 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6285 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6286 EDIHC= 0.000000E+00 (dihedral angle constraints)
6287 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6288 UCONST= 0.000000E+00 (Constraint energy)
6289 EDFAD= 2.377498-315 (DFA distance energy)
6290 EDFAT= 6.953299-310 (DFA torsion energy)
6291 EDFAN= 1.976263-323 (DFA NCa energy)
6292 EDFAB= 8.487983-314 (DFA Beta energy)
6293 ETOT= -8.337470E+01 (total)
6294 RMS deviation from the reference structure: 3.069
6295 % of native contacts: 66.667
6296 % of nonnative contacts: 60.000
6297 contact order: 0.389
6298 TM-score with the reference structure: 0.26
6301 Virtual-chain energies:
6303 EVDW= -4.974371E+01 WEIGHT= 1.352790D+00 (SC-SC)
6304 EVDW2= 6.138501E+01 WEIGHT= 1.593040D+00 (SC-p)
6305 EES= -1.211902E+02 WEIGHT= 7.153400D-01 (p-p)
6306 EVDWPP= -1.711637E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6307 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6308 EBE= -3.653084E+01 WEIGHT= 1.138730D+00 (bending)
6309 ESC= 4.770948E+01 WEIGHT= 1.625800D-01 (SC local)
6310 ETORS= 1.186215E+01 WEIGHT= 1.985990D+00 (torsional)
6311 ETORSD= -2.161305E+00 WEIGHT= 1.570690D+00 (double torsional)
6312 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6313 ECORR4= -9.444581E+01 WEIGHT= 4.288700D-01 (multi-body)
6314 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6315 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6316 EELLO= -8.220764E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6317 ETURN3= 1.774769E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6318 ETURN4= -5.603037E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6319 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6320 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6321 EDIHC= 0.000000E+00 (dihedral angle constraints)
6322 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6323 UCONST= 0.000000E+00 (Constraint energy)
6324 EDFAD= 2.377498-315 (DFA distance energy)
6325 EDFAT= 6.953299-310 (DFA torsion energy)
6326 EDFAN= 1.976263-323 (DFA NCa energy)
6327 EDFAB= 8.487983-314 (DFA Beta energy)
6328 ETOT= -8.741118E+01 (total)
6329 RMS deviation from the reference structure: 3.130
6330 % of native contacts: 58.333
6331 % of nonnative contacts: 66.667
6332 contact order: 0.286
6333 TM-score with the reference structure: 0.29
6336 Virtual-chain energies:
6338 EVDW= -5.137612E+01 WEIGHT= 1.352790D+00 (SC-SC)
6339 EVDW2= 3.959966E+01 WEIGHT= 1.593040D+00 (SC-p)
6340 EES= -6.740236E+01 WEIGHT= 7.153400D-01 (p-p)
6341 EVDWPP= -2.806593E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6342 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6343 EBE= -3.958164E+01 WEIGHT= 1.138730D+00 (bending)
6344 ESC= 3.555228E+01 WEIGHT= 1.625800D-01 (SC local)
6345 ETORS= 8.263582E+00 WEIGHT= 1.985990D+00 (torsional)
6346 ETORSD= -2.735827E+00 WEIGHT= 1.570690D+00 (double torsional)
6347 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6348 ECORR4= -5.165245E+01 WEIGHT= 4.288700D-01 (multi-body)
6349 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6350 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6351 EELLO= 5.494240E-02 WEIGHT= 1.603600D-01 (electrostatic-local)
6352 ETURN3= 1.400654E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6353 ETURN4= -1.689468E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6354 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6355 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6356 EDIHC= 0.000000E+00 (dihedral angle constraints)
6357 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6358 UCONST= 0.000000E+00 (Constraint energy)
6359 EDFAD= 2.377498-315 (DFA distance energy)
6360 EDFAT= 6.953299-310 (DFA torsion energy)
6361 EDFAN= 1.976263-323 (DFA NCa energy)
6362 EDFAB= 8.487983-314 (DFA Beta energy)
6363 ETOT= -8.362585E+01 (total)
6364 RMS deviation from the reference structure: 5.668
6365 % of native contacts: 33.333
6366 % of nonnative contacts: 78.947
6367 contact order: 0.304
6368 TM-score with the reference structure: 0.33
6371 Virtual-chain energies:
6373 EVDW= -5.116510E+01 WEIGHT= 1.352790D+00 (SC-SC)
6374 EVDW2= 3.887010E+01 WEIGHT= 1.593040D+00 (SC-p)
6375 EES= -7.097210E+01 WEIGHT= 7.153400D-01 (p-p)
6376 EVDWPP= -2.484460E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6377 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6378 EBE= -3.784298E+01 WEIGHT= 1.138730D+00 (bending)
6379 ESC= 2.527594E+01 WEIGHT= 1.625800D-01 (SC local)
6380 ETORS= 7.281864E+00 WEIGHT= 1.985990D+00 (torsional)
6381 ETORSD= -1.724487E+00 WEIGHT= 1.570690D+00 (double torsional)
6382 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6383 ECORR4= -5.411070E+01 WEIGHT= 4.288700D-01 (multi-body)
6384 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6385 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6386 EELLO= -9.196959E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6387 ETURN3= 1.497571E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6388 ETURN4= -3.384316E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6389 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6390 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6391 EDIHC= 0.000000E+00 (dihedral angle constraints)
6392 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6393 UCONST= 0.000000E+00 (Constraint energy)
6394 EDFAD= 2.377498-315 (DFA distance energy)
6395 EDFAT= 6.953299-310 (DFA torsion energy)
6396 EDFAN= 1.976263-323 (DFA NCa energy)
6397 EDFAB= 8.487983-314 (DFA Beta energy)
6398 ETOT= -8.642954E+01 (total)
6399 RMS deviation from the reference structure: 4.518
6400 % of native contacts: 33.333
6401 % of nonnative contacts: 80.952
6402 contact order: 0.400
6403 TM-score with the reference structure: 0.28
6406 Virtual-chain energies:
6408 EVDW= -5.659847E+01 WEIGHT= 1.352790D+00 (SC-SC)
6409 EVDW2= 5.440378E+01 WEIGHT= 1.593040D+00 (SC-p)
6410 EES= -1.058589E+02 WEIGHT= 7.153400D-01 (p-p)
6411 EVDWPP= -3.206716E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6412 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6413 EBE= -3.555448E+01 WEIGHT= 1.138730D+00 (bending)
6414 ESC= 5.100877E+01 WEIGHT= 1.625800D-01 (SC local)
6415 ETORS= 1.252722E+01 WEIGHT= 1.985990D+00 (torsional)
6416 ETORSD= -2.967396E+00 WEIGHT= 1.570690D+00 (double torsional)
6417 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6418 ECORR4= -8.295317E+01 WEIGHT= 4.288700D-01 (multi-body)
6419 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6420 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6421 EELLO= -8.453020E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6422 ETURN3= 1.901768E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6423 ETURN4= 2.616127E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6424 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6425 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6426 EDIHC= 0.000000E+00 (dihedral angle constraints)
6427 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6428 UCONST= 0.000000E+00 (Constraint energy)
6429 EDFAD= 2.377498-315 (DFA distance energy)
6430 EDFAT= 6.953299-310 (DFA torsion energy)
6431 EDFAN= 1.976263-323 (DFA NCa energy)
6432 EDFAB= 8.487983-314 (DFA Beta energy)
6433 ETOT= -8.435779E+01 (total)
6434 RMS deviation from the reference structure: 2.834
6435 % of native contacts: 41.667
6436 % of nonnative contacts: 79.167
6437 contact order: 0.343
6438 TM-score with the reference structure: 0.33
6441 Virtual-chain energies:
6443 EVDW= -4.943523E+01 WEIGHT= 1.352790D+00 (SC-SC)
6444 EVDW2= 3.215547E+01 WEIGHT= 1.593040D+00 (SC-p)
6445 EES= -4.837284E+01 WEIGHT= 7.153400D-01 (p-p)
6446 EVDWPP= -3.382276E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6447 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6448 EBE= -3.905376E+01 WEIGHT= 1.138730D+00 (bending)
6449 ESC= 3.200206E+01 WEIGHT= 1.625800D-01 (SC local)
6450 ETORS= 4.610562E+00 WEIGHT= 1.985990D+00 (torsional)
6451 ETORSD= -5.186087E-01 WEIGHT= 1.570690D+00 (double torsional)
6452 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6453 ECORR4= -3.289174E+01 WEIGHT= 4.288700D-01 (multi-body)
6454 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6455 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6456 EELLO= 2.475589E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6457 ETURN3= 9.173584E+00 WEIGHT= 1.687220D+00 (turns, 3rd order)
6458 ETURN4= -1.560244E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6459 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6460 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6461 EDIHC= 0.000000E+00 (dihedral angle constraints)
6462 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6463 UCONST= 0.000000E+00 (Constraint energy)
6464 EDFAD= 2.377498-315 (DFA distance energy)
6465 EDFAT= 6.953299-310 (DFA torsion energy)
6466 EDFAN= 1.976263-323 (DFA NCa energy)
6467 EDFAB= 8.487983-314 (DFA Beta energy)
6468 ETOT= -8.429116E+01 (total)
6469 RMS deviation from the reference structure: 5.777
6470 % of native contacts: 33.333
6471 % of nonnative contacts: 71.429
6472 contact order: 0.370
6473 TM-score with the reference structure: 0.26
6476 Virtual-chain energies:
6478 EVDW= -5.042477E+01 WEIGHT= 1.352790D+00 (SC-SC)
6479 EVDW2= 5.031553E+01 WEIGHT= 1.593040D+00 (SC-p)
6480 EES= -9.977371E+01 WEIGHT= 7.153400D-01 (p-p)
6481 EVDWPP= -3.150960E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6482 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6483 EBE= -4.137173E+01 WEIGHT= 1.138730D+00 (bending)
6484 ESC= 4.365134E+01 WEIGHT= 1.625800D-01 (SC local)
6485 ETORS= 9.826290E+00 WEIGHT= 1.985990D+00 (torsional)
6486 ETORSD= 1.139936E+00 WEIGHT= 1.570690D+00 (double torsional)
6487 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6488 ECORR4= -7.122866E+01 WEIGHT= 4.288700D-01 (multi-body)
6489 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6490 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6491 EELLO= -2.376003E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6492 ETURN3= 1.812842E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6493 ETURN4= -3.968979E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6494 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6495 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6496 EDIHC= 0.000000E+00 (dihedral angle constraints)
6497 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6498 UCONST= 0.000000E+00 (Constraint energy)
6499 EDFAD= 2.377498-315 (DFA distance energy)
6500 EDFAT= 6.953299-310 (DFA torsion energy)
6501 EDFAN= 1.976263-323 (DFA NCa energy)
6502 EDFAB= 8.487983-314 (DFA Beta energy)
6503 ETOT= -8.469444E+01 (total)
6504 RMS deviation from the reference structure: 3.290
6505 % of native contacts: 41.667
6506 % of nonnative contacts: 75.000
6507 contact order: 0.327
6508 TM-score with the reference structure: 0.28
6511 Virtual-chain energies:
6513 EVDW= -5.294899E+01 WEIGHT= 1.352790D+00 (SC-SC)
6514 EVDW2= 4.812382E+01 WEIGHT= 1.593040D+00 (SC-p)
6515 EES= -9.213611E+01 WEIGHT= 7.153400D-01 (p-p)
6516 EVDWPP= -2.157043E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6517 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6518 EBE= -3.855573E+01 WEIGHT= 1.138730D+00 (bending)
6519 ESC= 3.654537E+01 WEIGHT= 1.625800D-01 (SC local)
6520 ETORS= 8.779049E+00 WEIGHT= 1.985990D+00 (torsional)
6521 ETORSD= -1.219930E+00 WEIGHT= 1.570690D+00 (double torsional)
6522 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6523 ECORR4= -6.978886E+01 WEIGHT= 4.288700D-01 (multi-body)
6524 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6525 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6526 EELLO= -4.539114E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6527 ETURN3= 1.824649E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6528 ETURN4= -2.513985E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6529 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6530 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6531 EDIHC= 0.000000E+00 (dihedral angle constraints)
6532 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6533 UCONST= 0.000000E+00 (Constraint energy)
6534 EDFAD= 2.377498-315 (DFA distance energy)
6535 EDFAT= 6.953299-310 (DFA torsion energy)
6536 EDFAN= 1.976263-323 (DFA NCa energy)
6537 EDFAB= 8.487983-314 (DFA Beta energy)
6538 ETOT= -8.730857E+01 (total)
6539 RMS deviation from the reference structure: 6.420
6540 % of native contacts: 16.667
6541 % of nonnative contacts: 89.474
6542 contact order: 0.242
6543 TM-score with the reference structure: 0.29
6546 Virtual-chain energies:
6548 EVDW= -5.167434E+01 WEIGHT= 1.352790D+00 (SC-SC)
6549 EVDW2= 5.104411E+01 WEIGHT= 1.593040D+00 (SC-p)
6550 EES= -1.084604E+02 WEIGHT= 7.153400D-01 (p-p)
6551 EVDWPP= -2.602443E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6552 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6553 EBE= -3.813913E+01 WEIGHT= 1.138730D+00 (bending)
6554 ESC= 4.983672E+01 WEIGHT= 1.625800D-01 (SC local)
6555 ETORS= 1.253011E+01 WEIGHT= 1.985990D+00 (torsional)
6556 ETORSD= -2.084881E+00 WEIGHT= 1.570690D+00 (double torsional)
6557 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6558 ECORR4= -8.355084E+01 WEIGHT= 4.288700D-01 (multi-body)
6559 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6560 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6561 EELLO= -2.785905E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6562 ETURN3= 2.099811E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6563 ETURN4= -2.656317E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6564 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6565 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6566 EDIHC= 0.000000E+00 (dihedral angle constraints)
6567 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6568 UCONST= 0.000000E+00 (Constraint energy)
6569 EDFAD= 2.377498-315 (DFA distance energy)
6570 EDFAT= 6.953299-310 (DFA torsion energy)
6571 EDFAN= 1.976263-323 (DFA NCa energy)
6572 EDFAB= 8.487983-314 (DFA Beta energy)
6573 ETOT= -8.506024E+01 (total)
6574 RMS deviation from the reference structure: 3.374
6575 % of native contacts: 33.333
6576 % of nonnative contacts: 78.947
6577 contact order: 0.189
6578 TM-score with the reference structure: 0.28
6581 Virtual-chain energies:
6583 EVDW= -5.183765E+01 WEIGHT= 1.352790D+00 (SC-SC)
6584 EVDW2= 4.743468E+01 WEIGHT= 1.593040D+00 (SC-p)
6585 EES= -9.154358E+01 WEIGHT= 7.153400D-01 (p-p)
6586 EVDWPP= -2.167393E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6587 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6588 EBE= -3.499152E+01 WEIGHT= 1.138730D+00 (bending)
6589 ESC= 3.142622E+01 WEIGHT= 1.625800D-01 (SC local)
6590 ETORS= 1.130861E+01 WEIGHT= 1.985990D+00 (torsional)
6591 ETORSD= -3.803468E+00 WEIGHT= 1.570690D+00 (double torsional)
6592 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6593 ECORR4= -6.666203E+01 WEIGHT= 4.288700D-01 (multi-body)
6594 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6595 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6596 EELLO= -4.392360E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6597 ETURN3= 1.499058E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6598 ETURN4= -4.416254E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6599 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6600 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6601 EDIHC= 0.000000E+00 (dihedral angle constraints)
6602 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6603 UCONST= 0.000000E+00 (Constraint energy)
6604 EDFAD= 2.377498-315 (DFA distance energy)
6605 EDFAT= 6.953299-310 (DFA torsion energy)
6606 EDFAN= 1.976263-323 (DFA NCa energy)
6607 EDFAB= 8.487983-314 (DFA Beta energy)
6608 ETOT= -8.505513E+01 (total)
6609 RMS deviation from the reference structure: 4.486
6610 % of native contacts: 33.333
6611 % of nonnative contacts: 80.952
6612 contact order: 0.335
6613 TM-score with the reference structure: 0.30
6616 Virtual-chain energies:
6618 EVDW= -5.290662E+01 WEIGHT= 1.352790D+00 (SC-SC)
6619 EVDW2= 5.203536E+01 WEIGHT= 1.593040D+00 (SC-p)
6620 EES= -1.058170E+02 WEIGHT= 7.153400D-01 (p-p)
6621 EVDWPP= -1.801336E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6622 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6623 EBE= -4.072209E+01 WEIGHT= 1.138730D+00 (bending)
6624 ESC= 4.100335E+01 WEIGHT= 1.625800D-01 (SC local)
6625 ETORS= 1.109474E+01 WEIGHT= 1.985990D+00 (torsional)
6626 ETORSD= -6.266648E-01 WEIGHT= 1.570690D+00 (double torsional)
6627 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6628 ECORR4= -7.995701E+01 WEIGHT= 4.288700D-01 (multi-body)
6629 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6630 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6631 EELLO= -6.493518E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6632 ETURN3= 1.980891E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6633 ETURN4= -9.313998E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6634 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6635 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6636 EDIHC= 0.000000E+00 (dihedral angle constraints)
6637 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6638 UCONST= 0.000000E+00 (Constraint energy)
6639 EDFAD= 2.377498-315 (DFA distance energy)
6640 EDFAT= 6.953299-310 (DFA torsion energy)
6641 EDFAN= 1.976263-323 (DFA NCa energy)
6642 EDFAB= 8.487983-314 (DFA Beta energy)
6643 ETOT= -8.760333E+01 (total)
6644 RMS deviation from the reference structure: 2.398
6645 % of native contacts: 66.667
6646 % of nonnative contacts: 61.905
6647 contact order: 0.281
6648 TM-score with the reference structure: 0.33
6651 Virtual-chain energies:
6653 EVDW= -5.318955E+01 WEIGHT= 1.352790D+00 (SC-SC)
6654 EVDW2= 4.969908E+01 WEIGHT= 1.593040D+00 (SC-p)
6655 EES= -1.045343E+02 WEIGHT= 7.153400D-01 (p-p)
6656 EVDWPP= -1.798249E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6657 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6658 EBE= -4.003468E+01 WEIGHT= 1.138730D+00 (bending)
6659 ESC= 3.676989E+01 WEIGHT= 1.625800D-01 (SC local)
6660 ETORS= 1.251207E+01 WEIGHT= 1.985990D+00 (torsional)
6661 ETORSD= -2.680267E+00 WEIGHT= 1.570690D+00 (double torsional)
6662 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6663 ECORR4= -7.570199E+01 WEIGHT= 4.288700D-01 (multi-body)
6664 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6665 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6666 EELLO= 7.288076E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6667 ETURN3= 1.891175E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6668 ETURN4= -1.776835E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6669 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6670 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6671 EDIHC= 0.000000E+00 (dihedral angle constraints)
6672 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6673 UCONST= 0.000000E+00 (Constraint energy)
6674 EDFAD= 2.377498-315 (DFA distance energy)
6675 EDFAT= 6.953299-310 (DFA torsion energy)
6676 EDFAN= 1.976263-323 (DFA NCa energy)
6677 EDFAB= 8.487983-314 (DFA Beta energy)
6678 ETOT= -9.019365E+01 (total)
6679 RMS deviation from the reference structure: 3.728
6680 % of native contacts: 33.333
6681 % of nonnative contacts: 81.818
6682 contact order: 0.374
6683 TM-score with the reference structure: 0.28
6686 Virtual-chain energies:
6688 EVDW= -5.122106E+01 WEIGHT= 1.352790D+00 (SC-SC)
6689 EVDW2= 4.786912E+01 WEIGHT= 1.593040D+00 (SC-p)
6690 EES= -1.002588E+02 WEIGHT= 7.153400D-01 (p-p)
6691 EVDWPP= -2.521081E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6692 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6693 EBE= -4.291917E+01 WEIGHT= 1.138730D+00 (bending)
6694 ESC= 3.728613E+01 WEIGHT= 1.625800D-01 (SC local)
6695 ETORS= 1.028393E+01 WEIGHT= 1.985990D+00 (torsional)
6696 ETORSD= 3.914362E+00 WEIGHT= 1.570690D+00 (double torsional)
6697 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6698 ECORR4= -6.994705E+01 WEIGHT= 4.288700D-01 (multi-body)
6699 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6700 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6701 EELLO= -4.417315E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6702 ETURN3= 1.652343E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6703 ETURN4= -5.623878E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6704 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6705 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6706 EDIHC= 0.000000E+00 (dihedral angle constraints)
6707 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6708 UCONST= 0.000000E+00 (Constraint energy)
6709 EDFAD= 2.377498-315 (DFA distance energy)
6710 EDFAT= 6.953299-310 (DFA torsion energy)
6711 EDFAN= 1.976263-323 (DFA NCa energy)
6712 EDFAB= 8.487983-314 (DFA Beta energy)
6713 ETOT= -8.705950E+01 (total)
6714 RMS deviation from the reference structure: 3.761
6715 % of native contacts: 41.667
6716 % of nonnative contacts: 75.000
6717 contact order: 0.307
6718 TM-score with the reference structure: 0.28
6721 Virtual-chain energies:
6723 EVDW= -5.528012E+01 WEIGHT= 1.352790D+00 (SC-SC)
6724 EVDW2= 4.375489E+01 WEIGHT= 1.593040D+00 (SC-p)
6725 EES= -7.806498E+01 WEIGHT= 7.153400D-01 (p-p)
6726 EVDWPP= -3.103907E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6727 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6728 EBE= -3.586159E+01 WEIGHT= 1.138730D+00 (bending)
6729 ESC= 4.123198E+01 WEIGHT= 1.625800D-01 (SC local)
6730 ETORS= 9.267755E+00 WEIGHT= 1.985990D+00 (torsional)
6731 ETORSD= -2.792587E+00 WEIGHT= 1.570690D+00 (double torsional)
6732 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6733 ECORR4= -5.844226E+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= 2.795387E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6737 ETURN3= 1.485417E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6738 ETURN4= 6.474531E-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= 2.377498-315 (DFA distance energy)
6745 EDFAT= 6.953299-310 (DFA torsion energy)
6746 EDFAN= 1.976263-323 (DFA NCa energy)
6747 EDFAB= 8.487983-314 (DFA Beta energy)
6748 ETOT= -8.409360E+01 (total)
6749 RMS deviation from the reference structure: 5.093
6750 % of native contacts: 25.000
6751 % of nonnative contacts: 86.364
6752 contact order: 0.357
6753 TM-score with the reference structure: 0.28
6756 Virtual-chain energies:
6758 EVDW= -5.088958E+01 WEIGHT= 1.352790D+00 (SC-SC)
6759 EVDW2= 4.623924E+01 WEIGHT= 1.593040D+00 (SC-p)
6760 EES= -9.556489E+01 WEIGHT= 7.153400D-01 (p-p)
6761 EVDWPP= -2.950097E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6762 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6763 EBE= -3.688658E+01 WEIGHT= 1.138730D+00 (bending)
6764 ESC= 4.133109E+01 WEIGHT= 1.625800D-01 (SC local)
6765 ETORS= 8.927255E+00 WEIGHT= 1.985990D+00 (torsional)
6766 ETORSD= 2.342472E+00 WEIGHT= 1.570690D+00 (double torsional)
6767 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6768 ECORR4= -7.150829E+01 WEIGHT= 4.288700D-01 (multi-body)
6769 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6770 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6771 EELLO= -5.357881E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6772 ETURN3= 1.835917E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6773 ETURN4= -5.440459E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6774 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6775 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6776 EDIHC= 0.000000E+00 (dihedral angle constraints)
6777 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6778 UCONST= 0.000000E+00 (Constraint energy)
6779 EDFAD= 2.377498-315 (DFA distance energy)
6780 EDFAT= 6.953299-310 (DFA torsion energy)
6781 EDFAN= 1.976263-323 (DFA NCa energy)
6782 EDFAB= 8.487983-314 (DFA Beta energy)
6783 ETOT= -8.492761E+01 (total)
6784 RMS deviation from the reference structure: 2.238
6785 % of native contacts: 41.667
6786 % of nonnative contacts: 75.000
6787 contact order: 0.336
6788 TM-score with the reference structure: 0.37
6791 Virtual-chain energies:
6793 EVDW= -5.396319E+01 WEIGHT= 1.352790D+00 (SC-SC)
6794 EVDW2= 3.559281E+01 WEIGHT= 1.593040D+00 (SC-p)
6795 EES= -6.291020E+01 WEIGHT= 7.153400D-01 (p-p)
6796 EVDWPP= -2.749080E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6797 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6798 EBE= -3.846173E+01 WEIGHT= 1.138730D+00 (bending)
6799 ESC= 4.909050E+01 WEIGHT= 1.625800D-01 (SC local)
6800 ETORS= 6.041038E+00 WEIGHT= 1.985990D+00 (torsional)
6801 ETORSD= 6.820865E-01 WEIGHT= 1.570690D+00 (double torsional)
6802 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6803 ECORR4= -4.213271E+01 WEIGHT= 4.288700D-01 (multi-body)
6804 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6805 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6806 EELLO= -3.741048E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6807 ETURN3= 1.339565E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6808 ETURN4= -2.117899E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6809 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6810 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6811 EDIHC= 0.000000E+00 (dihedral angle constraints)
6812 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6813 UCONST= 0.000000E+00 (Constraint energy)
6814 EDFAD= 2.377498-315 (DFA distance energy)
6815 EDFAT= 6.953299-310 (DFA torsion energy)
6816 EDFAN= 1.976263-323 (DFA NCa energy)
6817 EDFAB= 8.487983-314 (DFA Beta energy)
6818 ETOT= -8.410660E+01 (total)
6819 RMS deviation from the reference structure: 5.616
6820 % of native contacts: 16.667
6821 % of nonnative contacts: 87.500
6822 contact order: 0.355
6823 TM-score with the reference structure: 0.24
6826 Virtual-chain energies:
6828 EVDW= -5.263057E+01 WEIGHT= 1.352790D+00 (SC-SC)
6829 EVDW2= 5.408080E+01 WEIGHT= 1.593040D+00 (SC-p)
6830 EES= -1.113442E+02 WEIGHT= 7.153400D-01 (p-p)
6831 EVDWPP= -2.324953E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6832 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6833 EBE= -4.095652E+01 WEIGHT= 1.138730D+00 (bending)
6834 ESC= 4.467366E+01 WEIGHT= 1.625800D-01 (SC local)
6835 ETORS= 1.263671E+01 WEIGHT= 1.985990D+00 (torsional)
6836 ETORSD= -1.837499E+00 WEIGHT= 1.570690D+00 (double torsional)
6837 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6838 ECORR4= -8.539627E+01 WEIGHT= 4.288700D-01 (multi-body)
6839 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6840 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6841 EELLO= -2.807481E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6842 ETURN3= 2.011410E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6843 ETURN4= -5.825006E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6844 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6845 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6846 EDIHC= 0.000000E+00 (dihedral angle constraints)
6847 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6848 UCONST= 0.000000E+00 (Constraint energy)
6849 EDFAD= 2.377498-315 (DFA distance energy)
6850 EDFAT= 6.953299-310 (DFA torsion energy)
6851 EDFAN= 1.976263-323 (DFA NCa energy)
6852 EDFAB= 8.487983-314 (DFA Beta energy)
6853 ETOT= -8.802600E+01 (total)
6854 RMS deviation from the reference structure: 2.436
6855 % of native contacts: 58.333
6856 % of nonnative contacts: 61.111
6857 contact order: 0.308
6858 TM-score with the reference structure: 0.29
6861 Virtual-chain energies:
6863 EVDW= -5.038688E+01 WEIGHT= 1.352790D+00 (SC-SC)
6864 EVDW2= 4.850968E+01 WEIGHT= 1.593040D+00 (SC-p)
6865 EES= -1.024886E+02 WEIGHT= 7.153400D-01 (p-p)
6866 EVDWPP= -1.443982E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6867 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6868 EBE= -3.961789E+01 WEIGHT= 1.138730D+00 (bending)
6869 ESC= 4.782770E+01 WEIGHT= 1.625800D-01 (SC local)
6870 ETORS= 1.110483E+01 WEIGHT= 1.985990D+00 (torsional)
6871 ETORSD= -2.778135E-01 WEIGHT= 1.570690D+00 (double torsional)
6872 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6873 ECORR4= -7.325016E+01 WEIGHT= 4.288700D-01 (multi-body)
6874 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6875 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6876 EELLO= -2.719852E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6877 ETURN3= 1.743726E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6878 ETURN4= -7.097684E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6879 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6880 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6881 EDIHC= 0.000000E+00 (dihedral angle constraints)
6882 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6883 UCONST= 0.000000E+00 (Constraint energy)
6884 EDFAD= 2.377498-315 (DFA distance energy)
6885 EDFAT= 6.953299-310 (DFA torsion energy)
6886 EDFAN= 1.976263-323 (DFA NCa energy)
6887 EDFAB= 8.487983-314 (DFA Beta energy)
6888 ETOT= -8.406973E+01 (total)
6889 RMS deviation from the reference structure: 2.163
6890 % of native contacts: 50.000
6891 % of nonnative contacts: 66.667
6892 contact order: 0.323
6893 TM-score with the reference structure: 0.31
6896 Virtual-chain energies:
6898 EVDW= -5.073873E+01 WEIGHT= 1.352790D+00 (SC-SC)
6899 EVDW2= 4.056596E+01 WEIGHT= 1.593040D+00 (SC-p)
6900 EES= -8.352338E+01 WEIGHT= 7.153400D-01 (p-p)
6901 EVDWPP= -1.919020E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6902 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6903 EBE= -3.957063E+01 WEIGHT= 1.138730D+00 (bending)
6904 ESC= 4.761694E+01 WEIGHT= 1.625800D-01 (SC local)
6905 ETORS= 1.000854E+01 WEIGHT= 1.985990D+00 (torsional)
6906 ETORSD= -1.546639E+00 WEIGHT= 1.570690D+00 (double torsional)
6907 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6908 ECORR4= -6.250777E+01 WEIGHT= 4.288700D-01 (multi-body)
6909 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6910 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6911 EELLO= 2.737274E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6912 ETURN3= 1.727534E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6913 ETURN4= -2.546895E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6914 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6915 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6916 EDIHC= 0.000000E+00 (dihedral angle constraints)
6917 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6918 UCONST= 0.000000E+00 (Constraint energy)
6919 EDFAD= 2.377498-315 (DFA distance energy)
6920 EDFAT= 6.953299-310 (DFA torsion energy)
6921 EDFAN= 1.976263-323 (DFA NCa energy)
6922 EDFAB= 8.487983-314 (DFA Beta energy)
6923 ETOT= -8.472478E+01 (total)
6924 RMS deviation from the reference structure: 5.554
6925 % of native contacts: 25.000
6926 % of nonnative contacts: 85.000
6927 contact order: 0.316
6928 TM-score with the reference structure: 0.31
6931 Virtual-chain energies:
6933 EVDW= -5.120453E+01 WEIGHT= 1.352790D+00 (SC-SC)
6934 EVDW2= 4.128919E+01 WEIGHT= 1.593040D+00 (SC-p)
6935 EES= -8.326868E+01 WEIGHT= 7.153400D-01 (p-p)
6936 EVDWPP= -1.767219E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6937 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6938 EBE= -4.027511E+01 WEIGHT= 1.138730D+00 (bending)
6939 ESC= 4.642033E+01 WEIGHT= 1.625800D-01 (SC local)
6940 ETORS= 9.392970E+00 WEIGHT= 1.985990D+00 (torsional)
6941 ETORSD= -1.988929E+00 WEIGHT= 1.570690D+00 (double torsional)
6942 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6943 ECORR4= -6.319094E+01 WEIGHT= 4.288700D-01 (multi-body)
6944 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6945 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6946 EELLO= -9.628277E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
6947 ETURN3= 1.739036E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6948 ETURN4= -1.959789E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
6949 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6950 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6951 EDIHC= 0.000000E+00 (dihedral angle constraints)
6952 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6953 UCONST= 0.000000E+00 (Constraint energy)
6954 EDFAD= 2.377498-315 (DFA distance energy)
6955 EDFAT= 6.953299-310 (DFA torsion energy)
6956 EDFAN= 1.976263-323 (DFA NCa energy)
6957 EDFAB= 8.487983-314 (DFA Beta energy)
6958 ETOT= -8.706537E+01 (total)
6959 RMS deviation from the reference structure: 5.028
6960 % of native contacts: 50.000
6961 % of nonnative contacts: 70.000
6962 contact order: 0.282
6963 TM-score with the reference structure: 0.33
6966 Virtual-chain energies:
6968 EVDW= -5.549348E+01 WEIGHT= 1.352790D+00 (SC-SC)
6969 EVDW2= 4.532223E+01 WEIGHT= 1.593040D+00 (SC-p)
6970 EES= -8.233263E+01 WEIGHT= 7.153400D-01 (p-p)
6971 EVDWPP= -3.144795E+01 WEIGHT= 1.137100D-01 (p-p VDW)
6972 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
6973 EBE= -3.501134E+01 WEIGHT= 1.138730D+00 (bending)
6974 ESC= 4.260463E+01 WEIGHT= 1.625800D-01 (SC local)
6975 ETORS= 5.996062E+00 WEIGHT= 1.985990D+00 (torsional)
6976 ETORSD= 1.862331E-01 WEIGHT= 1.570690D+00 (double torsional)
6977 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
6978 ECORR4= -6.112939E+01 WEIGHT= 4.288700D-01 (multi-body)
6979 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6980 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
6981 EELLO= -2.678980E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
6982 ETURN3= 1.476248E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
6983 ETURN4= -1.490907E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
6984 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
6985 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
6986 EDIHC= 0.000000E+00 (dihedral angle constraints)
6987 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
6988 UCONST= 0.000000E+00 (Constraint energy)
6989 EDFAD= 2.377498-315 (DFA distance energy)
6990 EDFAT= 6.953299-310 (DFA torsion energy)
6991 EDFAN= 1.976263-323 (DFA NCa energy)
6992 EDFAB= 8.487983-314 (DFA Beta energy)
6993 ETOT= -8.792121E+01 (total)
6994 RMS deviation from the reference structure: 3.379
6995 % of native contacts: 58.333
6996 % of nonnative contacts: 65.000
6997 contact order: 0.307
6998 TM-score with the reference structure: 0.30
7001 Virtual-chain energies:
7003 EVDW= -5.151011E+01 WEIGHT= 1.352790D+00 (SC-SC)
7004 EVDW2= 4.463203E+01 WEIGHT= 1.593040D+00 (SC-p)
7005 EES= -9.106778E+01 WEIGHT= 7.153400D-01 (p-p)
7006 EVDWPP= -1.006749E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7007 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7008 EBE= -3.875413E+01 WEIGHT= 1.138730D+00 (bending)
7009 ESC= 3.400161E+01 WEIGHT= 1.625800D-01 (SC local)
7010 ETORS= 1.056548E+01 WEIGHT= 1.985990D+00 (torsional)
7011 ETORSD= -1.360474E+00 WEIGHT= 1.570690D+00 (double torsional)
7012 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7013 ECORR4= -6.774041E+01 WEIGHT= 4.288700D-01 (multi-body)
7014 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7015 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7016 EELLO= 4.233186E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7017 ETURN3= 1.831071E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7018 ETURN4= -2.527068E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7019 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7020 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7021 EDIHC= 0.000000E+00 (dihedral angle constraints)
7022 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7023 UCONST= 0.000000E+00 (Constraint energy)
7024 EDFAD= 2.377498-315 (DFA distance energy)
7025 EDFAT= 6.953299-310 (DFA torsion energy)
7026 EDFAN= 1.976263-323 (DFA NCa energy)
7027 EDFAB= 8.487983-314 (DFA Beta energy)
7028 ETOT= -8.439082E+01 (total)
7029 RMS deviation from the reference structure: 4.765
7030 % of native contacts: 25.000
7031 % of nonnative contacts: 84.211
7032 contact order: 0.378
7033 TM-score with the reference structure: 0.26
7036 Virtual-chain energies:
7038 EVDW= -5.188871E+01 WEIGHT= 1.352790D+00 (SC-SC)
7039 EVDW2= 3.830631E+01 WEIGHT= 1.593040D+00 (SC-p)
7040 EES= -6.851210E+01 WEIGHT= 7.153400D-01 (p-p)
7041 EVDWPP= -3.174158E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7042 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7043 EBE= -3.934666E+01 WEIGHT= 1.138730D+00 (bending)
7044 ESC= 3.572018E+01 WEIGHT= 1.625800D-01 (SC local)
7045 ETORS= 8.744851E+00 WEIGHT= 1.985990D+00 (torsional)
7046 ETORSD= -2.421168E+00 WEIGHT= 1.570690D+00 (double torsional)
7047 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7048 ECORR4= -5.113139E+01 WEIGHT= 4.288700D-01 (multi-body)
7049 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7050 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7051 EELLO= 4.057495E-02 WEIGHT= 1.603600D-01 (electrostatic-local)
7052 ETURN3= 1.391153E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7053 ETURN4= -1.065036E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7054 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7055 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7056 EDIHC= 0.000000E+00 (dihedral angle constraints)
7057 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7058 UCONST= 0.000000E+00 (Constraint energy)
7059 EDFAD= 2.377498-315 (DFA distance energy)
7060 EDFAT= 6.953299-310 (DFA torsion energy)
7061 EDFAN= 1.976263-323 (DFA NCa energy)
7062 EDFAB= 8.487983-314 (DFA Beta energy)
7063 ETOT= -8.637917E+01 (total)
7064 RMS deviation from the reference structure: 4.817
7065 % of native contacts: 16.667
7066 % of nonnative contacts: 90.476
7067 contact order: 0.407
7068 TM-score with the reference structure: 0.32
7071 Virtual-chain energies:
7073 EVDW= -5.689562E+01 WEIGHT= 1.352790D+00 (SC-SC)
7074 EVDW2= 3.953417E+01 WEIGHT= 1.593040D+00 (SC-p)
7075 EES= -6.575149E+01 WEIGHT= 7.153400D-01 (p-p)
7076 EVDWPP= -3.242620E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7077 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7078 EBE= -3.655341E+01 WEIGHT= 1.138730D+00 (bending)
7079 ESC= 4.668342E+01 WEIGHT= 1.625800D-01 (SC local)
7080 ETORS= 5.437181E+00 WEIGHT= 1.985990D+00 (torsional)
7081 ETORSD= 1.050091E-02 WEIGHT= 1.570690D+00 (double torsional)
7082 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7083 ECORR4= -5.033938E+01 WEIGHT= 4.288700D-01 (multi-body)
7084 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7085 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7086 EELLO= 6.645582E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7087 ETURN3= 1.246771E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7088 ETURN4= -7.467353E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
7089 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7090 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7091 EDIHC= 0.000000E+00 (dihedral angle constraints)
7092 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7093 UCONST= 0.000000E+00 (Constraint energy)
7094 EDFAD= 2.377498-315 (DFA distance energy)
7095 EDFAT= 6.953299-310 (DFA torsion energy)
7096 EDFAN= 1.976263-323 (DFA NCa energy)
7097 EDFAB= 8.487983-314 (DFA Beta energy)
7098 ETOT= -8.887143E+01 (total)
7099 RMS deviation from the reference structure: 4.090
7100 % of native contacts: 41.667
7101 % of nonnative contacts: 77.273
7102 contact order: 0.430
7103 TM-score with the reference structure: 0.23
7106 Virtual-chain energies:
7108 EVDW= -5.270798E+01 WEIGHT= 1.352790D+00 (SC-SC)
7109 EVDW2= 4.599898E+01 WEIGHT= 1.593040D+00 (SC-p)
7110 EES= -9.159124E+01 WEIGHT= 7.153400D-01 (p-p)
7111 EVDWPP= -2.269573E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7112 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7113 EBE= -4.033579E+01 WEIGHT= 1.138730D+00 (bending)
7114 ESC= 4.337685E+01 WEIGHT= 1.625800D-01 (SC local)
7115 ETORS= 1.002726E+01 WEIGHT= 1.985990D+00 (torsional)
7116 ETORSD= -1.606533E+00 WEIGHT= 1.570690D+00 (double torsional)
7117 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7118 ECORR4= -6.856126E+01 WEIGHT= 4.288700D-01 (multi-body)
7119 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7120 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7121 EELLO= -2.811716E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
7122 ETURN3= 1.817794E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7123 ETURN4= -1.709213E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7124 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7125 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7126 EDIHC= 0.000000E+00 (dihedral angle constraints)
7127 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7128 UCONST= 0.000000E+00 (Constraint energy)
7129 EDFAD= 2.377498-315 (DFA distance energy)
7130 EDFAT= 6.953299-310 (DFA torsion energy)
7131 EDFAN= 1.976263-323 (DFA NCa energy)
7132 EDFAB= 8.487983-314 (DFA Beta energy)
7133 ETOT= -8.752371E+01 (total)
7134 RMS deviation from the reference structure: 4.660
7135 % of native contacts: 58.333
7136 % of nonnative contacts: 66.667
7137 contact order: 0.327
7138 TM-score with the reference structure: 0.30
7141 Virtual-chain energies:
7143 EVDW= -5.176116E+01 WEIGHT= 1.352790D+00 (SC-SC)
7144 EVDW2= 3.918402E+01 WEIGHT= 1.593040D+00 (SC-p)
7145 EES= -7.508123E+01 WEIGHT= 7.153400D-01 (p-p)
7146 EVDWPP= -1.767170E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7147 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7148 EBE= -3.849045E+01 WEIGHT= 1.138730D+00 (bending)
7149 ESC= 4.386108E+01 WEIGHT= 1.625800D-01 (SC local)
7150 ETORS= 8.613556E+00 WEIGHT= 1.985990D+00 (torsional)
7151 ETORSD= -1.102560E+00 WEIGHT= 1.570690D+00 (double torsional)
7152 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7153 ECORR4= -5.446174E+01 WEIGHT= 4.288700D-01 (multi-body)
7154 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7155 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7156 EELLO= 2.582088E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7157 ETURN3= 1.431340E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7158 ETURN4= -3.237542E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7159 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7160 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7161 EDIHC= 0.000000E+00 (dihedral angle constraints)
7162 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7163 UCONST= 0.000000E+00 (Constraint energy)
7164 EDFAD= 2.377498-315 (DFA distance energy)
7165 EDFAT= 6.953299-310 (DFA torsion energy)
7166 EDFAN= 1.976263-323 (DFA NCa energy)
7167 EDFAB= 8.487983-314 (DFA Beta energy)
7168 ETOT= -8.558028E+01 (total)
7169 RMS deviation from the reference structure: 4.677
7170 % of native contacts: 25.000
7171 % of nonnative contacts: 82.353
7172 contact order: 0.447
7173 TM-score with the reference structure: 0.29
7176 Virtual-chain energies:
7178 EVDW= -5.087798E+01 WEIGHT= 1.352790D+00 (SC-SC)
7179 EVDW2= 4.564237E+01 WEIGHT= 1.593040D+00 (SC-p)
7180 EES= -8.564925E+01 WEIGHT= 7.153400D-01 (p-p)
7181 EVDWPP= -2.233342E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7182 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7183 EBE= -3.877960E+01 WEIGHT= 1.138730D+00 (bending)
7184 ESC= 3.756012E+01 WEIGHT= 1.625800D-01 (SC local)
7185 ETORS= 8.658746E+00 WEIGHT= 1.985990D+00 (torsional)
7186 ETORSD= -3.650755E-01 WEIGHT= 1.570690D+00 (double torsional)
7187 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7188 ECORR4= -6.431423E+01 WEIGHT= 4.288700D-01 (multi-body)
7189 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7190 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7191 EELLO= -4.083907E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7192 ETURN3= 1.665893E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7193 ETURN4= -2.809997E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7194 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7195 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7196 EDIHC= 0.000000E+00 (dihedral angle constraints)
7197 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7198 UCONST= 0.000000E+00 (Constraint energy)
7199 EDFAD= 2.377498-315 (DFA distance energy)
7200 EDFAT= 6.953299-310 (DFA torsion energy)
7201 EDFAN= 1.976263-323 (DFA NCa energy)
7202 EDFAB= 8.487983-314 (DFA Beta energy)
7203 ETOT= -8.334629E+01 (total)
7204 RMS deviation from the reference structure: 4.681
7205 % of native contacts: 25.000
7206 % of nonnative contacts: 84.211
7207 contact order: 0.330
7208 TM-score with the reference structure: 0.29
7211 Virtual-chain energies:
7213 EVDW= -5.424966E+01 WEIGHT= 1.352790D+00 (SC-SC)
7214 EVDW2= 3.739722E+01 WEIGHT= 1.593040D+00 (SC-p)
7215 EES= -6.507967E+01 WEIGHT= 7.153400D-01 (p-p)
7216 EVDWPP= -2.899900E+01 WEIGHT= 1.137100D-01 (p-p VDW)
7217 ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
7218 EBE= -3.664801E+01 WEIGHT= 1.138730D+00 (bending)
7219 ESC= 3.556748E+01 WEIGHT= 1.625800D-01 (SC local)
7220 ETORS= 5.566836E+00 WEIGHT= 1.985990D+00 (torsional)
7221 ETORSD= -9.866384E-01 WEIGHT= 1.570690D+00 (double torsional)
7222 EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
7223 ECORR4= -4.817312E+01 WEIGHT= 4.288700D-01 (multi-body)
7224 ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7225 ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
7226 EELLO= -2.342359E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
7227 ETURN3= 1.437203E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
7228 ETURN4= -1.758926E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
7229 ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
7230 ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
7231 EDIHC= 0.000000E+00 (dihedral angle constraints)
7232 ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
7233 UCONST= 0.000000E+00 (Constraint energy)
7234 EDFAD= 2.377498-315 (DFA distance energy)
7235 EDFAT= 6.953299-310 (DFA torsion energy)
7236 EDFAN= 1.976263-323 (DFA NCa energy)
7237 EDFAB= 8.487983-314 (DFA Beta energy)
7238 ETOT= -8.806015E+01 (total)
7239 RMS deviation from the reference structure: 4.376
7240 % of native contacts: 41.667
7241 % of nonnative contacts: 78.261
7242 contact order: 0.387
7243 TM-score with the reference structure: 0.28
7244 CG processor 0 is finishing work.
7245 Total wall clock time 1.41796875000000 sec