+++ /dev/null
---------------------------------------------------------------------------------
- FILE ASSIGNMENT
---------------------------------------------------------------------------------
- Input file : 1l2y_remini.inp
- Output file : 1l2y_remini.out_GB000
-
- Sidechain potential file :
- /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
- 10-8k
- SCp potential file : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
- Electrostatic potential file :
- /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
- Cumulant coefficient file :
- /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
- Torsional parameter file :
- /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
- Double torsional parameter file :
- /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
- SCCOR parameter file : /users/czarek/UNRES/GIT/unres/PARAM/rotcorr_AM1.parm
- Bond & inertia constant file : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
- Bending parameter file :
- /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
- Rotamer parameter file :
- /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
- Threading database :
- /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
---------------------------------------------------------------------------------
-********************************************************************************
-United-residue force field calculation - parallel job.
-********************************************************************************
- ### LAST MODIFIED 11/03/09 1:19PM by czarek
- ++++ Compile info ++++
- Version CSA and DFA only
-
-Potential is GB , exponents are 6 12
-
-Disulfide bridge parameters:
-S-S bridge energy: -5.50
-d0cm: 3.78 akcm: 15.10
-akth: 11.00 akct: 12.00
-v1ss: -1.08 v2ss: 7.61 v3ss: 13.70
- MPI: node= 0 iseed= -3059742
- ran_num 0.273754117333397
-RMSDBC = 3.0
-RMSDBC1 = 0.5
-RMSDBC1MAX = 1.5
-DRMS = 0.1
-RMSDBCM = 3.0
-Time limit (min): 960.0
- RESCALE_MODE 0
-Library routine used to diagonalize matrices.
-
-********************************************************************************
- Options in energy minimization:
-********************************************************************************
-MaxMin: 2000 MaxFun: 3000MinMin: 2000 MinFun: 2000 TolF: 1.00000E-02 RTolF: 1.00000E-04
-
-Energy-term weights (unscaled):
-
-WSCC= 1.352790 (SC-SC)
-WSCP= 1.593040 (SC-p)
-WELEC= 0.715340 (p-p electr)
-WVDWPP= 0.113710 (p-p VDW)
-WBOND= 1.000000 (stretching)
-WANG= 1.138730 (bending)
-WSCLOC= 0.162580 (SC local)
-WTOR= 1.985990 (torsional)
-WTORD= 1.570690 (double torsional)
-WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
-WEL_LOC= 0.160360 (multi-body 3-rd order)
-WCORR4= 0.428870 (multi-body 4th order)
-WCORR5= 0.000000 (multi-body 5th order)
-WCORR6= 0.000000 (multi-body 6th order)
-WSCCOR= 0.000000 (back-scloc correlation)
-WTURN3= 1.687220 (turns, 3rd order)
-WTURN4= 0.662300 (turns, 4th order)
-WTURN6= 0.000000 (turns, 6th order)
-WDFA_D= 0.000000 (DFA, distance)
-WDFA_T= 0.000000 (DFA, torsional)
-WDFA_N= 0.000000 (DFA, number of neighbor)
-WDFA_B= 0.000000 (DFA, beta formation)
-
-Hydrogen-bonding correlation between contact pairs of peptide groups
-
-Scaling factor of 1,4 SC-p interactions: 0.400
-General scaling factor of SC-p interactions: 1.000
-
-Energy-term weights (scaled):
-
-WSCC= 1.352790 (SC-SC)
-WSCP= 1.593040 (SC-p)
-WELEC= 0.715340 (p-p electr)
-WVDWPP= 0.113710 (p-p VDW)
-WBOND= 1.000000 (stretching)
-WANG= 1.138730 (bending)
-WSCLOC= 0.162580 (SC local)
-WTOR= 1.985990 (torsional)
-WTORD= 1.570690 (double torsional)
-WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
-WEL_LOC= 0.160360 (multi-body 3-rd order)
-WCORR4= 0.428870 (multi-body 4th order)
-WCORR5= 0.000000 (multi-body 5th order)
-WCORR6= 0.000000 (multi-body 6th order)
-WSCCOR= 0.000000 (back-scloc correlatkion)
-WTURN3= 1.687220 (turns, 3rd order)
-WTURN4= 0.662300 (turns, 4th order)
-WTURN6= 0.000000 (turns, 6th order)
-WDFA_D= 0.000000 (DFA, distance)
-WDFA_T= 0.000000 (DFA, torsional)
-WDFA_N= 0.000000 (DFA, number of neighbor)
-WDFA_B= 0.000000 (DFA, beta formation)
- Reference temperature for weights calculation: 300.000000000000
- Parameters of the SS-bond potential:
- D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH
- 11.0000000000000 AKCT 12.0000000000000
- V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
- 13.7000000000000
- EBR -5.50000000000000
-PDB data will be read from file 1l2y.pdb
- Nres: 21
-Backbone and SC coordinates as read from the PDB
- 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051
- 2 14 ASN -8.608 3.135 -1.618 -10.909 3.249 -2.846
- 3 5 LEU -4.923 4.002 -2.452 -4.502 6.849 -1.550
- 4 8 TYR -3.690 2.738 0.981 -1.959 3.143 3.797
- 5 4 ILE -5.857 -0.449 0.613 -7.910 -0.417 1.393
- 6 13 GLN -4.122 -1.167 -2.743 -5.540 -1.315 -5.233
- 7 7 TRP -0.716 -0.631 -0.993 1.727 0.440 1.450
- 8 5 LEU -1.641 -2.932 1.963 -2.262 -1.871 4.556
- 9 19 LYS -3.024 -5.791 -0.269 -3.820 -5.527 -3.146
- 10 16 ASP 0.466 -6.016 -1.905 0.653 -5.125 -3.676
- 11 10 GLY 2.060 -6.618 1.593 2.060 -6.618 1.593
- 12 10 GLY 2.626 -2.967 2.723 2.626 -2.967 2.723
- 13 20 PRO 6.333 -2.533 3.806 5.724 -2.372 5.058
- 14 12 SER 7.049 -6.179 2.704 6.757 -6.938 3.675
- 15 12 SER 6.389 -5.315 -1.015 5.245 -5.350 -1.546
- 16 10 GLY 9.451 -3.116 -1.870 9.451 -3.116 -1.870
- 17 18 ARG 7.289 0.084 -2.054 5.225 -1.826 -3.986
- 18 20 PRO 6.782 3.088 0.345 7.458 3.741 -0.688
- 19 20 PRO 3.287 4.031 1.686 4.025 4.206 2.856
- 20 20 PRO 1.185 6.543 -0.353 0.358 5.421 -0.430
- 21 12 SER 0.852 10.027 1.285 1.151 10.636 1.488
- 22 21 D -1.250 12.539 -0.754 -1.250 12.539 -0.754
-nsup= 20 nstart_sup= 2
- ITEL
- 1 21 0
- 2 14 1
- 3 5 1
- 4 8 1
- 5 4 1
- 6 13 1
- 7 7 1
- 8 5 1
- 9 19 1
- 10 16 1
- 11 10 1
- 12 10 2
- 13 20 1
- 14 12 1
- 15 12 1
- 16 10 1
- 17 18 2
- 18 20 2
- 19 20 2
- 20 20 1
- 21 12 0
- ns= 0 iss:
-Boundaries in phi angle sampling:
-D 1 -180.0 180.0
-ASN 2 -180.0 180.0
-LEU 3 -180.0 180.0
-TYR 4 -180.0 180.0
-ILE 5 -180.0 180.0
-GLN 6 -180.0 180.0
-TRP 7 -180.0 180.0
-LEU 8 -180.0 180.0
-LYS 9 -180.0 180.0
-ASP 10 -180.0 180.0
-GLY 11 -180.0 180.0
-GLY 12 -180.0 180.0
-PRO 13 -180.0 180.0
-SER 14 -180.0 180.0
-SER 15 -180.0 180.0
-GLY 16 -180.0 180.0
-ARG 17 -180.0 180.0
-PRO 18 -180.0 180.0
-PRO 19 -180.0 180.0
-PRO 20 -180.0 180.0
-SER 21 -180.0 180.0
-D 22 -180.0 180.0
-nsup= 20
- nsup= 20 nstart_sup= 2 nstart_seq= 2
- NZ_START= 2 NZ_END= 21
- IZ_SC= 0
- Processor 0 CG group 0 absolute rank 0 nhpb
- 0 link_start= 1 link_end 0
- Contact order: 0.337121212121212
- Shifting contacts: 2 2
- 1 TRP 7 TYR 4
- 2 LEU 8 TYR 4
- 3 LYS 9 GLN 6
- 4 GLY 12 TRP 7
- 5 GLY 12 LEU 8
- 6 SER 14 GLY 11
- 7 SER 15 ASP 10
- 8 SER 15 GLY 11
- 9 PRO 19 TRP 7
- 10 PRO 20 LEU 3
- 11 PRO 20 TYR 4
- 12 PRO 20 TRP 7
-intinname
-1l2y_csa_GB000.int
-
-Geometry of the virtual chain.
- Res d Theta Gamma Dsc Alpha Beta
-D 1 0.000 0.000 0.000 0.000 0.000 0.000
-ASN 2 3.800 0.000 0.000 1.684 90.531 -178.452
-LEU 3 3.800 92.239 0.000 1.939 101.575 -78.530
-TYR 4 3.800 92.239 -180.000 2.484 163.195 -7.440
-ILE 5 3.800 90.357 45.849 1.776 148.228 -110.333
-GLN 6 3.800 89.090 55.194 2.240 164.593 -141.638
-TRP 7 3.800 88.657 49.396 2.605 123.650 -21.913
-LEU 8 3.800 93.032 48.298 1.939 156.202 -108.750
-LYS 9 3.800 94.826 46.843 2.541 106.974 -55.960
-ASP 10 3.800 87.966 59.623 1.709 153.447 -128.646
-GLY 11 3.800 89.908 56.679 0.000 0.000 0.000
-GLY 12 3.800 100.181 -87.304 0.000 0.000 0.000
-PRO 13 3.800 109.073 -127.499 1.345 101.771 -115.580
-SER 14 3.800 89.537 4.261 1.150 144.515 -129.218
-SER 15 3.800 91.815 66.108 1.150 161.047 -100.177
-GLY 16 3.800 101.784 70.140 0.000 0.000 0.000
-ARG 17 3.800 92.201 -108.949 3.020 139.846 -132.716
-PRO 18 3.800 133.225 103.824 1.345 115.610 -118.024
-PRO 19 3.800 121.502 -122.527 1.345 118.575 -122.417
-PRO 20 3.800 117.950 -90.285 1.345 118.959 -126.207
-SER 21 3.800 114.201 -108.328 1.150 128.925 -37.341
-D 22 3.800 114.201 180.000 0.000 0.000 0.000
-
-
-********************************************************************************
- Processor 0: end reading molecular data.
-********************************************************************************
-
-
-Energy minimization of multiple conformations calculation.
-
-Conformations will be energy-minimized.
-********************************************************************************
-
- Conformation # 1 read
- Conformation # 2 read
- Conformation # 3 read
- Conformation # 4 read
- Conformation # 5 read
- Conformation # 6 read
- Conformation # 7 read
-
-
- Conformation # 1 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.277354E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.508194E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.028195E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.823418E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.853950E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.678532E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.535113E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -6.847777E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.543204E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.344015E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.734097E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.504341E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.811500E+01 (total)
-RMS deviation from the reference structure: 4.330
- % of native contacts: 25.000
- % of nonnative contacts: 86.364
- contact order: 0.380
- TM-score with the reference structure: 0.28
- Conformation # 8 read
-
-
- Conformation # 2 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.251962E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.557509E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.190080E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.790640E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.825219E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.402944E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.601050E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -8.209400E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.006181E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.725545E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.530709E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -7.157145E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.672666E+01 (total)
-RMS deviation from the reference structure: 3.773
- % of native contacts: 33.333
- % of nonnative contacts: 81.818
- contact order: 0.390
- TM-score with the reference structure: 0.29
- Conformation # 9 read
-
-
- Conformation # 8 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.862641E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.301176E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.055439E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.881512E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.731283E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.999344E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.274223E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.776734E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.174841E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -6.338756E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.909217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 4.173937E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.926226E+01 (total)
-RMS deviation from the reference structure: 2.390
- % of native contacts: 50.000
- % of nonnative contacts: 76.000
- contact order: 0.336
- TM-score with the reference structure: 0.31
- Conformation # 10 read
-
-
- Conformation # 3 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.446570E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.095837E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.014688E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.553049E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.717367E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.886158E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.379677E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.577902E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.663803E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.522605E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.798679E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.750991E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -9.084990E+01 (total)
-RMS deviation from the reference structure: 2.363
- % of native contacts: 50.000
- % of nonnative contacts: 73.913
- contact order: 0.328
- TM-score with the reference structure: 0.30
- Conformation # 11 read
-
-
- Conformation # 4 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.606096E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.183437E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.589161E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.463962E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.689767E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.826127E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.089311E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.224204E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.305783E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.019873E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.660095E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.544380E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.650422E+01 (total)
-RMS deviation from the reference structure: 2.838
- % of native contacts: 66.667
- % of nonnative contacts: 66.667
- contact order: 0.360
- TM-score with the reference structure: 0.30
- Conformation # 12 read
-
-
- Conformation # 5 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.255290E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.613237E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.862998E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.686846E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.122921E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.531262E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.092826E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.038125E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.579283E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.609632E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.869754E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.053111E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.590119E+01 (total)
-RMS deviation from the reference structure: 5.007
- % of native contacts: 33.333
- % of nonnative contacts: 83.333
- contact order: 0.339
- TM-score with the reference structure: 0.26
- Conformation # 13 read
-
-
- Conformation # 12 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.113255E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.019779E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.003293E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.975284E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.403177E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.528815E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 6.670682E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 3.814703E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.732171E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.201922E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.498134E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.412060E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.495066E+01 (total)
-RMS deviation from the reference structure: 3.856
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.409
- TM-score with the reference structure: 0.26
- Conformation # 14 read
-
-
- Conformation # 9 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.332975E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.661068E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.453295E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.569863E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.585748E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.161979E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.791943E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.211485E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.511112E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.001138E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.467991E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 2.448021E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.393890E+01 (total)
-RMS deviation from the reference structure: 3.263
- % of native contacts: 41.667
- % of nonnative contacts: 72.222
- contact order: 0.313
- TM-score with the reference structure: 0.28
- Conformation # 15 read
-
-
- Conformation # 11 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.294992E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.050672E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.003682E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.331990E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.851707E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.201115E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.081144E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -8.681825E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.698306E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -7.837837E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.913565E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.242277E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.370635E+01 (total)
-RMS deviation from the reference structure: 2.662
- % of native contacts: 50.000
- % of nonnative contacts: 68.421
- contact order: 0.268
- TM-score with the reference structure: 0.34
- Conformation # 16 read
-
-
- Conformation # 13 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.568824E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.807903E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.705815E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.142859E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.949115E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.020830E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.211619E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.989802E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.175321E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.799534E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.920286E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.109910E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.619624E+01 (total)
-RMS deviation from the reference structure: 3.189
- % of native contacts: 33.333
- % of nonnative contacts: 77.778
- contact order: 0.333
- TM-score with the reference structure: 0.30
- Conformation # 17 read
-
-
- Conformation # 14 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.435598E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.746673E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.188868E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.550369E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.309544E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.501581E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.332449E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.706847E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.438464E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.386849E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.927296E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.127999E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.524364E+01 (total)
-RMS deviation from the reference structure: 2.759
- % of native contacts: 25.000
- % of nonnative contacts: 85.714
- contact order: 0.284
- TM-score with the reference structure: 0.28
- Conformation # 18 read
-
-
- Conformation # 10 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.981905E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.887691E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.530715E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.323506E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.149720E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.631020E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.887848E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 3.522291E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.770895E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.963244E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.745600E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.277685E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.410371E+01 (total)
-RMS deviation from the reference structure: 4.352
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.314
- TM-score with the reference structure: 0.31
- Conformation # 19 read
-
-
- Conformation # 6 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.823637E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.043497E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.041185E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.478391E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.213669E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.308211E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.276850E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.275841E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.557997E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -9.440949E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.819141E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 5.679845E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.412650E+01 (total)
-RMS deviation from the reference structure: 4.360
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.340
- TM-score with the reference structure: 0.26
- Conformation # 20 read
-
-
- Conformation # 18 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.320903E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.265324E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.984191E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.514152E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.043931E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.975010E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.844163E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.039428E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.337439E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.043572E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.310750E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.164680E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.452105E+01 (total)
-RMS deviation from the reference structure: 4.901
- % of native contacts: 16.667
- % of nonnative contacts: 88.889
- contact order: 0.354
- TM-score with the reference structure: 0.27
- Conformation # 21 read
-
-
- Conformation # 19 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.355968E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.202265E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.105238E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.860241E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.883534E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.166351E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.340612E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.521998E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.293655E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.693420E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.130382E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.424474E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.612065E+01 (total)
-RMS deviation from the reference structure: 2.066
- % of native contacts: 41.667
- % of nonnative contacts: 73.684
- contact order: 0.321
- TM-score with the reference structure: 0.30
- Conformation # 22 read
-
-
- Conformation # 15 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.393971E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.119798E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.697123E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.107123E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.782482E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.791055E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.046919E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.223048E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.759077E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.842830E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.337713E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.286381E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.510817E+01 (total)
-RMS deviation from the reference structure: 5.534
- % of native contacts: 16.667
- % of nonnative contacts: 88.889
- contact order: 0.364
- TM-score with the reference structure: 0.22
- Conformation # 23 read
-
-
- Conformation # 16 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.178581E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.899764E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.022824E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.355912E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.973775E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.925084E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.045547E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.030940E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.143612E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.207441E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.751181E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.219025E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.644219E+01 (total)
-RMS deviation from the reference structure: 3.751
- % of native contacts: 41.667
- % of nonnative contacts: 72.222
- contact order: 0.280
- TM-score with the reference structure: 0.35
- Conformation # 24 read
-
-
- Conformation # 21 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.209547E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.960598E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.007532E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.312577E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.692262E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.668591E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.319555E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 7.202522E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.522025E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.412357E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.859969E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.150648E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.593686E+01 (total)
-RMS deviation from the reference structure: 3.048
- % of native contacts: 41.667
- % of nonnative contacts: 72.222
- contact order: 0.308
- TM-score with the reference structure: 0.30
- Conformation # 25 read
-
-
- Conformation # 24 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.959887E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.259419E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.036390E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.768958E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.730950E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.379161E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.228088E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.606335E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.016506E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.103705E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.889639E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.885530E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -9.076142E+01 (total)
-RMS deviation from the reference structure: 2.745
- % of native contacts: 50.000
- % of nonnative contacts: 73.913
- contact order: 0.362
- TM-score with the reference structure: 0.32
- Conformation # 26 read
-
-
- Conformation # 17 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.235103E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.749328E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.670471E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.194073E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.858333E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.961369E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.220687E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.575766E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.013102E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.186376E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.709036E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.631072E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.595398E+01 (total)
-RMS deviation from the reference structure: 3.547
- % of native contacts: 41.667
- % of nonnative contacts: 77.273
- contact order: 0.372
- TM-score with the reference structure: 0.29
- Conformation # 27 read
-
-
- Conformation # 20 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.712491E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.358028E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.023690E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.246488E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.627658E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.396225E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.207184E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.068193E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.012362E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -8.833236E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.858513E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 2.893610E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.635467E+01 (total)
-RMS deviation from the reference structure: 3.133
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.377
- TM-score with the reference structure: 0.34
- Conformation # 28 read
-
-
- Conformation # 26 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.966943E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.446479E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.230876E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.845007E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.848795E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.563903E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.357351E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 2.882131E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.997400E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.754856E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.339753E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -6.125247E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.643936E+01 (total)
-RMS deviation from the reference structure: 3.024
- % of native contacts: 41.667
- % of nonnative contacts: 77.273
- contact order: 0.343
- TM-score with the reference structure: 0.26
- Conformation # 29 read
-
-
- Conformation # 22 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.095490E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.112544E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.033653E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.049796E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.929489E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.705659E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.206529E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.136614E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.597056E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.526397E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.713811E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.676851E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.689564E+01 (total)
-RMS deviation from the reference structure: 4.042
- % of native contacts: 25.000
- % of nonnative contacts: 86.364
- contact order: 0.355
- TM-score with the reference structure: 0.31
- Conformation # 30 read
-
-
- Conformation # 25 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.446035E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.539208E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.761378E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -4.074882E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.583179E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.395832E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.728579E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 9.396842E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.664059E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.264020E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.267235E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.607153E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.763985E+01 (total)
-RMS deviation from the reference structure: 4.183
- % of native contacts: 58.333
- % of nonnative contacts: 68.182
- contact order: 0.424
- TM-score with the reference structure: 0.25
- Conformation # 31 read
-
-
- Conformation # 30 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.148083E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.919638E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.012524E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.945164E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.129858E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.837667E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.795962E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.690453E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.350380E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.266637E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.042621E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.045593E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.623175E+01 (total)
-RMS deviation from the reference structure: 4.179
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.301
- TM-score with the reference structure: 0.29
- Conformation # 32 read
-
-
- Conformation # 27 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.566753E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.517394E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.058416E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.988803E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.773549E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.458700E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.060499E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 2.037703E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.367488E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.339849E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.580666E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.287983E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.439862E+01 (total)
-RMS deviation from the reference structure: 3.767
- % of native contacts: 25.000
- % of nonnative contacts: 86.364
- contact order: 0.353
- TM-score with the reference structure: 0.27
- Conformation # 33 read
-
-
- Conformation # 23 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.151114E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.421244E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.191587E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.098248E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.122926E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.963812E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.456210E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -9.609385E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.853870E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.469015E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.007029E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 6.260857E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.666835E+01 (total)
-RMS deviation from the reference structure: 1.656
- % of native contacts: 66.667
- % of nonnative contacts: 61.905
- contact order: 0.288
- TM-score with the reference structure: 0.33
- Conformation # 34 read
-
-
- Conformation # 32 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.386177E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.358034E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.529005E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.630550E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.952087E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.102800E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.013799E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -8.097761E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.343370E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.398494E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.752346E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.399737E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.621067E+01 (total)
-RMS deviation from the reference structure: 4.884
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.307
- TM-score with the reference structure: 0.30
- Conformation # 35 read
-
-
- Conformation # 31 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.757403E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.776098E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.490258E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.951580E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.045533E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.454962E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.451787E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.248463E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.417918E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.548068E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.704547E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.132449E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.373142E+01 (total)
-RMS deviation from the reference structure: 3.878
- % of native contacts: 33.333
- % of nonnative contacts: 75.000
- contact order: 0.298
- TM-score with the reference structure: 0.32
- Conformation # 36 read
-
-
- Conformation # 33 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.579419E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.656001E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.320710E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.039375E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.966957E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.203819E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.061114E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 9.059798E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.987199E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 3.920321E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.865457E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.243262E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.622940E+01 (total)
-RMS deviation from the reference structure: 2.901
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.364
- TM-score with the reference structure: 0.28
- Conformation # 37 read
-
-
- Conformation # 35 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.175155E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.468048E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.926762E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.161758E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.025622E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.330230E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.033048E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.314638E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.617081E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 8.525861E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.768285E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.785642E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.623627E+01 (total)
-RMS deviation from the reference structure: 4.731
- % of native contacts: 25.000
- % of nonnative contacts: 83.333
- contact order: 0.402
- TM-score with the reference structure: 0.27
- Conformation # 38 read
-
-
- Conformation # 29 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.462649E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.339980E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.761039E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.731447E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.514950E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.535474E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.107594E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.008088E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.840195E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.447846E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.412319E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.604587E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.574281E+01 (total)
-RMS deviation from the reference structure: 3.699
- % of native contacts: 50.000
- % of nonnative contacts: 72.727
- contact order: 0.370
- TM-score with the reference structure: 0.21
- Conformation # 39 read
-
-
- Conformation # 38 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.287387E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.673019E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.718779E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.712903E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.720143E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.168521E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.727931E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 3.034983E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.291846E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.820940E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.688590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.252842E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.721708E+01 (total)
-RMS deviation from the reference structure: 6.030
- % of native contacts: 33.333
- % of nonnative contacts: 81.818
- contact order: 0.364
- TM-score with the reference structure: 0.27
- Conformation # 40 read
-
-
- Conformation # 39 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.120313E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.194518E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.136502E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.441422E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.117799E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.161658E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.466327E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -5.137958E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.379204E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.118051E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.040635E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.352274E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.371590E+01 (total)
-RMS deviation from the reference structure: 2.343
- % of native contacts: 50.000
- % of nonnative contacts: 68.421
- contact order: 0.292
- TM-score with the reference structure: 0.32
- Conformation # 41 read
-
-
- Conformation # 40 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.514516E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.303892E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.042350E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.387461E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.684418E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.700316E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.499292E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.122060E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.881446E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.862802E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.834515E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.414443E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -9.033751E+01 (total)
-RMS deviation from the reference structure: 2.466
- % of native contacts: 50.000
- % of nonnative contacts: 73.913
- contact order: 0.356
- TM-score with the reference structure: 0.29
- Conformation # 42 read
-
-
- Conformation # 41 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.493930E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.334427E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.040855E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.753694E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.938477E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.022215E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.009965E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.641297E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.797576E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.804926E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.895956E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.615353E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.738089E+01 (total)
-RMS deviation from the reference structure: 1.785
- % of native contacts: 50.000
- % of nonnative contacts: 72.727
- contact order: 0.316
- TM-score with the reference structure: 0.31
- Conformation # 43 read
-
-
- Conformation # 36 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.201704E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.263827E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.824097E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.501478E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.052596E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.928588E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.712220E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.113755E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.152853E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.512091E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.890564E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.896462E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.821554E+01 (total)
-RMS deviation from the reference structure: 4.369
- % of native contacts: 8.333
- % of nonnative contacts: 93.333
- contact order: 0.333
- TM-score with the reference structure: 0.30
- Conformation # 44 read
-
-
- Conformation # 42 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.435531E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.158663E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.701329E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.455228E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.759777E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.178419E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.130353E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.789281E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.415274E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.109289E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.630242E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 7.205578E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.564345E+01 (total)
-RMS deviation from the reference structure: 2.997
- % of native contacts: 58.333
- % of nonnative contacts: 69.565
- contact order: 0.338
- TM-score with the reference structure: 0.29
- Conformation # 45 read
-
-
- Conformation # 37 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.106634E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.947319E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.446918E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.826681E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.011402E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.411674E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.269172E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.987229E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.432415E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.298715E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.598204E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.192934E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.669815E+01 (total)
-RMS deviation from the reference structure: 4.583
- % of native contacts: 33.333
- % of nonnative contacts: 77.778
- contact order: 0.371
- TM-score with the reference structure: 0.34
- Conformation # 46 read
-
-
- Conformation # 28 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.277345E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.881418E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.118778E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.463355E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.740744E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.577051E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.127622E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.755303E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.370857E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 5.273519E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.502927E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 8.126764E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.614926E+01 (total)
-RMS deviation from the reference structure: 4.957
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.411
- TM-score with the reference structure: 0.29
- Conformation # 47 read
-
-
- Conformation # 45 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.021897E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.322494E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.169029E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.020991E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.196052E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.899855E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.364603E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -4.346978E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.405317E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.593220E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.015378E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -6.595084E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.569208E+01 (total)
-RMS deviation from the reference structure: 3.041
- % of native contacts: 41.667
- % of nonnative contacts: 72.222
- contact order: 0.293
- TM-score with the reference structure: 0.30
- Conformation # 48 read
-
-
- Conformation # 43 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.140411E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.674911E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.712785E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.173440E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.858754E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.809296E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.223522E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.164073E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.163596E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.643892E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.696658E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.347090E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.687022E+01 (total)
-RMS deviation from the reference structure: 3.524
- % of native contacts: 16.667
- % of nonnative contacts: 88.889
- contact order: 0.323
- TM-score with the reference structure: 0.26
- Conformation # 49 read
-
-
- Conformation # 48 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.307913E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.607981E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.970217E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.999373E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.575311E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.353289E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.550874E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 3.550561E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.830007E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.628660E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.618282E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.376640E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.769988E+01 (total)
-RMS deviation from the reference structure: 3.343
- % of native contacts: 66.667
- % of nonnative contacts: 63.636
- contact order: 0.289
- TM-score with the reference structure: 0.31
- Conformation # 50 read
-
-
- Conformation # 49 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.336219E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.753434E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.708992E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.305965E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.616040E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.552006E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.996487E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.079296E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.616065E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.521817E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.194346E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.693277E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.377046E+01 (total)
-RMS deviation from the reference structure: 4.936
- % of native contacts: 16.667
- % of nonnative contacts: 89.474
- contact order: 0.404
- TM-score with the reference structure: 0.25
- Conformation # 51 read
-
-
- Conformation # 50 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.018245E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.688365E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.133675E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.448294E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.750686E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.082606E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.188676E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.040964E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.981068E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.948025E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.956677E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.539262E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.511121E+01 (total)
-RMS deviation from the reference structure: 4.210
- % of native contacts: 41.667
- % of nonnative contacts: 77.273
- contact order: 0.345
- TM-score with the reference structure: 0.28
- Conformation # 52 read
-
-
- Conformation # 51 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.201463E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.743827E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.951823E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.956350E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.210352E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.136984E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.460472E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.146980E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.428962E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.826255E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.725980E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.159555E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.687626E+01 (total)
-RMS deviation from the reference structure: 4.608
- % of native contacts: 25.000
- % of nonnative contacts: 85.714
- contact order: 0.383
- TM-score with the reference structure: 0.30
- Conformation # 53 read
-
-
- Conformation # 46 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.154839E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.191969E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.798772E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.459589E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.902199E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.865102E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.698028E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.822699E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.142248E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.636060E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.890536E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.905968E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.681196E+01 (total)
-RMS deviation from the reference structure: 4.358
- % of native contacts: 8.333
- % of nonnative contacts: 93.333
- contact order: 0.333
- TM-score with the reference structure: 0.30
- Conformation # 54 read
-
-
- Conformation # 52 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.374343E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.076389E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -4.007468E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.555488E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.854066E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.101077E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 4.361876E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.136974E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -2.627170E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.328577E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 7.859060E+00 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.249852E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.608564E+01 (total)
-RMS deviation from the reference structure: 5.439
- % of native contacts: 33.333
- % of nonnative contacts: 76.471
- contact order: 0.377
- TM-score with the reference structure: 0.20
- Conformation # 55 read
-
-
- Conformation # 54 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.502204E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.995068E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.998450E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.419177E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.874727E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.916947E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.124203E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.679689E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.658062E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -8.262522E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.592054E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 3.803124E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.427270E+01 (total)
-RMS deviation from the reference structure: 3.064
- % of native contacts: 58.333
- % of nonnative contacts: 63.158
- contact order: 0.354
- TM-score with the reference structure: 0.25
- Conformation # 56 read
-
-
- Conformation # 47 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.992304E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.363912E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.166606E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.666033E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.367353E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.147513E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.198322E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.530666E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.173211E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.102444E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.027820E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -6.930762E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.780053E+01 (total)
-RMS deviation from the reference structure: 3.356
- % of native contacts: 25.000
- % of nonnative contacts: 84.211
- contact order: 0.306
- TM-score with the reference structure: 0.27
- Conformation # 57 read
-
-
- Conformation # 7 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.928307E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.086777E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.803956E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.614427E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.767728E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.987521E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.313348E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.215591E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.787940E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 5.761960E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.546097E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.277757E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.528609E+01 (total)
-RMS deviation from the reference structure: 3.631
- % of native contacts: 33.333
- % of nonnative contacts: 76.471
- contact order: 0.313
- TM-score with the reference structure: 0.30
- Conformation # 58 read
-
-
- Conformation # 56 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.229926E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.445137E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.631679E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.527296E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.865243E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.912605E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.862867E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.200357E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.261065E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.482872E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.806390E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -6.282756E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.550809E+01 (total)
-RMS deviation from the reference structure: 3.945
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.338
- TM-score with the reference structure: 0.29
- Conformation # 59 read
-
-
- Conformation # 53 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.364036E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.404233E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.760155E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.758501E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.738427E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.781087E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.626289E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.512410E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.329352E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 3.769700E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.809807E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.885832E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.502478E+01 (total)
-RMS deviation from the reference structure: 4.868
- % of native contacts: 16.667
- % of nonnative contacts: 86.667
- contact order: 0.324
- TM-score with the reference structure: 0.29
- Conformation # 60 read
-
-
- Conformation # 44 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.188388E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.029902E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.027856E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.449355E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.812501E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.204499E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.719410E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 7.237824E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.720037E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.693599E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.815449E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.968524E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.754707E+01 (total)
-RMS deviation from the reference structure: 3.198
- % of native contacts: 50.000
- % of nonnative contacts: 70.000
- contact order: 0.327
- TM-score with the reference structure: 0.29
- Conformation # 61 read
-
-
- Conformation # 55 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.453480E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.842847E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.558465E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.665044E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.689607E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.344523E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.459575E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.275427E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.585480E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.107669E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.468449E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 2.553064E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.543896E+01 (total)
-RMS deviation from the reference structure: 3.301
- % of native contacts: 50.000
- % of nonnative contacts: 70.000
- contact order: 0.330
- TM-score with the reference structure: 0.28
- Conformation # 62 read
-
-
- Conformation # 61 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.317755E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.529984E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.070004E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.923018E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.062870E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.442335E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.530746E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -8.878436E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.241854E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 2.760952E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.832901E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.414633E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.601411E+01 (total)
-RMS deviation from the reference structure: 4.202
- % of native contacts: 8.333
- % of nonnative contacts: 94.737
- contact order: 0.333
- TM-score with the reference structure: 0.29
- Conformation # 63 read
-
-
- Conformation # 59 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.179106E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.629455E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.841907E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.028376E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.740849E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.534205E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.102459E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 4.089874E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.720389E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.760680E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.538745E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.996456E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.827031E+01 (total)
-RMS deviation from the reference structure: 3.170
- % of native contacts: 66.667
- % of nonnative contacts: 61.905
- contact order: 0.271
- TM-score with the reference structure: 0.30
- Conformation # 64 read
-
-
- Conformation # 57 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.042310E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.600243E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.490518E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.285929E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.988336E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.607804E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.210209E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.324364E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.755724E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.722919E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.653230E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.184771E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.521035E+01 (total)
-RMS deviation from the reference structure: 3.790
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.366
- TM-score with the reference structure: 0.26
- Conformation # 65 read
-
-
- Conformation # 64 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.295550E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.795870E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.040875E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.132648E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.699492E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.102125E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.902693E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 7.791768E-02 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.708701E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -6.280698E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.656308E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.938435E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.526715E+01 (total)
-RMS deviation from the reference structure: 3.284
- % of native contacts: 50.000
- % of nonnative contacts: 72.727
- contact order: 0.351
- TM-score with the reference structure: 0.30
- Conformation # 66 read
-
-
- Conformation # 60 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.630734E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.879338E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.755453E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.152566E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.046953E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.955701E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.221616E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.112377E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.225855E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.713139E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.932526E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -7.551985E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.723730E+01 (total)
-RMS deviation from the reference structure: 3.297
- % of native contacts: 25.000
- % of nonnative contacts: 82.353
- contact order: 0.353
- TM-score with the reference structure: 0.30
- Conformation # 67 read
-
-
- Conformation # 65 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.186846E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.687270E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.703374E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.641379E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.036413E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.676547E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.012940E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.382653E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.979189E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 5.277529E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.436494E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 4.574259E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.494206E+01 (total)
-RMS deviation from the reference structure: 5.112
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.361
- TM-score with the reference structure: 0.28
- Conformation # 68 read
-
-
- Conformation # 58 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.186232E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.807428E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.112529E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.420347E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.603353E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.265332E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.397902E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.708645E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.377590E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 5.479509E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.506095E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 9.441086E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.429742E+01 (total)
-RMS deviation from the reference structure: 4.907
- % of native contacts: 33.333
- % of nonnative contacts: 77.778
- contact order: 0.399
- TM-score with the reference structure: 0.29
- Conformation # 69 read
-
-
- Conformation # 62 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.057064E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.074661E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.577540E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.142730E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.529805E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.135663E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.106742E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.708433E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.984167E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 3.690159E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.699486E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.680174E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.457385E+01 (total)
-RMS deviation from the reference structure: 4.729
- % of native contacts: 16.667
- % of nonnative contacts: 87.500
- contact order: 0.398
- TM-score with the reference structure: 0.31
- Conformation # 70 read
-
-
- Conformation # 67 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.455168E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.219747E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.050905E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.381681E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.878552E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.519645E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.338368E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 3.081421E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.962151E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.479811E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.881440E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.180121E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -9.104212E+01 (total)
-RMS deviation from the reference structure: 3.058
- % of native contacts: 58.333
- % of nonnative contacts: 68.182
- contact order: 0.279
- TM-score with the reference structure: 0.30
- Conformation # 71 read
-
-
- Conformation # 63 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.838675E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.329709E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.156802E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.743391E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.220411E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.582485E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.225123E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 4.195183E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.224275E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.075349E+01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.969166E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 9.440083E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.567723E+01 (total)
-RMS deviation from the reference structure: 3.888
- % of native contacts: 50.000
- % of nonnative contacts: 71.429
- contact order: 0.323
- TM-score with the reference structure: 0.32
- Conformation # 72 read
-
-
- Conformation # 71 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.955611E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.930650E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.298890E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.833676E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.043403E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.435709E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.041503E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.684490E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.150136E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.720917E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.743149E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.804284E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.482491E+01 (total)
-RMS deviation from the reference structure: 3.837
- % of native contacts: 50.000
- % of nonnative contacts: 68.421
- contact order: 0.278
- TM-score with the reference structure: 0.33
- Conformation # 73 read
-
-
- Conformation # 66 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.558862E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.099564E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.263991E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.871983E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.983438E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.878720E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.077193E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.090169E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.736706E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 3.065615E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.303590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -7.783258E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.446727E+01 (total)
-RMS deviation from the reference structure: 4.248
- % of native contacts: 25.000
- % of nonnative contacts: 80.000
- contact order: 0.355
- TM-score with the reference structure: 0.26
- Conformation # 74 read
-
-
- Conformation # 73 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.070442E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.873356E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.528914E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.629209E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.705370E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.089260E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.532795E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.191087E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.469123E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 3.129515E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.442443E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.119318E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.375117E+01 (total)
-RMS deviation from the reference structure: 4.797
- % of native contacts: 25.000
- % of nonnative contacts: 83.333
- contact order: 0.449
- TM-score with the reference structure: 0.28
- Conformation # 75 read
-
-
- Conformation # 68 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.185202E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.306902E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.142382E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -4.068427E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.737453E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.911609E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.209737E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.672418E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.441112E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.262242E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.274248E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 4.334053E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.367279E+01 (total)
-RMS deviation from the reference structure: 3.393
- % of native contacts: 41.667
- % of nonnative contacts: 78.261
- contact order: 0.403
- TM-score with the reference structure: 0.25
- Conformation # 76 read
-
-
- Conformation # 70 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.941332E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.327549E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.973914E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.224179E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.907734E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.175026E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.108134E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.746853E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.063216E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.044895E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.277766E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.359596E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.553904E+01 (total)
-RMS deviation from the reference structure: 4.457
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.343
- TM-score with the reference structure: 0.32
- Conformation # 77 read
-
-
- Conformation # 75 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.092030E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.785689E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.703989E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.112290E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.155311E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.015582E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.117221E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.062745E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.085881E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.861471E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.888590E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.256480E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.662372E+01 (total)
-RMS deviation from the reference structure: 3.111
- % of native contacts: 25.000
- % of nonnative contacts: 82.353
- contact order: 0.345
- TM-score with the reference structure: 0.30
- Conformation # 78 read
-
-
- Conformation # 72 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.202642E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.719718E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.632733E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.983163E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.708483E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.442534E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.991446E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -8.175710E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.825685E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -7.114080E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.436691E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.579530E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.559688E+01 (total)
-RMS deviation from the reference structure: 4.213
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.380
- TM-score with the reference structure: 0.29
- Conformation # 79 read
-
-
- Conformation # 77 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.270228E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.502728E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.136852E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.504331E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.093744E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.996051E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.458986E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.929067E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.308958E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.665224E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.893201E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.541986E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.490451E+01 (total)
-RMS deviation from the reference structure: 3.061
- % of native contacts: 58.333
- % of nonnative contacts: 69.565
- contact order: 0.370
- TM-score with the reference structure: 0.31
- Conformation # 80 read
-
-
- Conformation # 79 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.341258E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.243747E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.050399E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.565287E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.714976E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.875607E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.727249E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -4.808561E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.774905E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -6.233475E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.861225E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.151985E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.960553E+01 (total)
-RMS deviation from the reference structure: 2.212
- % of native contacts: 66.667
- % of nonnative contacts: 60.000
- contact order: 0.314
- TM-score with the reference structure: 0.31
- Conformation # 81 read
-
-
- Conformation # 80 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.034280E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.944940E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.039191E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.890786E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.181616E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.984295E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.106015E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.023298E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.323080E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -9.436675E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.777731E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.457531E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.561058E+01 (total)
-RMS deviation from the reference structure: 4.041
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.261
- TM-score with the reference structure: 0.31
- Conformation # 82 read
-
-
- Conformation # 34 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.327677E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.785569E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.408768E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.013096E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.638280E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.624299E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.782741E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 6.159791E-02 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.185862E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -7.298110E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.723138E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.151824E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.762345E+01 (total)
-RMS deviation from the reference structure: 3.373
- % of native contacts: 50.000
- % of nonnative contacts: 73.913
- contact order: 0.318
- TM-score with the reference structure: 0.32
- Conformation # 83 read
-
-
- Conformation # 78 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.259873E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.539096E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.292482E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.530713E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.174051E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.192592E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.110695E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -9.768233E-02 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.361707E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.792713E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.655658E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 2.321222E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.558602E+01 (total)
-RMS deviation from the reference structure: 3.730
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.312
- TM-score with the reference structure: 0.27
- Conformation # 84 read
-
-
- Conformation # 83 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.967079E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.575443E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.058588E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.802426E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.814456E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.798496E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.347573E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.343764E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.813979E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.057028E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.857192E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.560471E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.509093E+01 (total)
-RMS deviation from the reference structure: 6.810
- % of native contacts: 25.000
- % of nonnative contacts: 83.333
- contact order: 0.255
- TM-score with the reference structure: 0.29
- Conformation # 85 read
-
-
- Conformation # 82 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.396731E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.114525E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.000224E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.232399E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.899427E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 6.074529E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.985932E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.963411E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.628854E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 2.874693E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.922625E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.775780E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.637846E+01 (total)
-RMS deviation from the reference structure: 5.517
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.230
- TM-score with the reference structure: 0.29
- Conformation # 86 read
-
-
- Conformation # 85 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.496483E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.737495E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.628896E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.645443E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.798831E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.645872E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.100794E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -4.124845E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.695107E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.140425E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.548896E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 3.138638E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.592375E+01 (total)
-RMS deviation from the reference structure: 3.788
- % of native contacts: 41.667
- % of nonnative contacts: 78.261
- contact order: 0.312
- TM-score with the reference structure: 0.25
- Conformation # 87 read
-
-
- Conformation # 86 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.151675E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.153825E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.001696E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.837889E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.828980E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.395919E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.660517E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.218463E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.406717E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.610724E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.647882E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.451240E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.924784E+01 (total)
-RMS deviation from the reference structure: 3.027
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.323
- TM-score with the reference structure: 0.32
- Conformation # 88 read
-
-
- Conformation # 84 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.383932E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.041252E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.015163E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.501080E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.771459E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.189949E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.859283E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -4.275785E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.620882E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.821388E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.794374E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.240153E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -9.090063E+01 (total)
-RMS deviation from the reference structure: 2.049
- % of native contacts: 75.000
- % of nonnative contacts: 57.143
- contact order: 0.314
- TM-score with the reference structure: 0.31
- Conformation # 89 read
-
-
- Conformation # 88 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.659903E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.510575E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.109343E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.466897E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.977390E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.986767E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.305861E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.570175E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.425735E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.296543E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.984228E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.540303E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.805042E+01 (total)
-RMS deviation from the reference structure: 2.700
- % of native contacts: 50.000
- % of nonnative contacts: 70.000
- contact order: 0.332
- TM-score with the reference structure: 0.30
- Conformation # 90 read
-
-
- Conformation # 87 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.210634E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.846949E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.843086E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.025934E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.642635E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.606879E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.144374E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.792157E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.031317E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.755653E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.642101E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.240078E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.347934E+01 (total)
-RMS deviation from the reference structure: 3.861
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.285
- TM-score with the reference structure: 0.27
- Conformation # 91 read
-
-
- Conformation # 90 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.071208E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.534097E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.866029E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.940096E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.866068E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.522199E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.788583E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.193343E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.683117E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.065909E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.787543E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.817383E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.700782E+01 (total)
-RMS deviation from the reference structure: 6.747
- % of native contacts: 25.000
- % of nonnative contacts: 81.250
- contact order: 0.250
- TM-score with the reference structure: 0.29
- Conformation # 92 read
-
-
- Conformation # 91 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.146604E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.202908E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.715811E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.629966E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.906362E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.600431E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.031970E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.479356E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.306525E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.842392E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.622524E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.432079E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.586317E+01 (total)
-RMS deviation from the reference structure: 3.982
- % of native contacts: 16.667
- % of nonnative contacts: 88.889
- contact order: 0.270
- TM-score with the reference structure: 0.28
- Conformation # 93 read
-
-
- Conformation # 81 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.208552E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.149303E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.046039E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.534714E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.622360E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.707095E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.153770E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -4.547313E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.751411E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -6.090236E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.859781E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.169534E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.721159E+01 (total)
-RMS deviation from the reference structure: 2.044
- % of native contacts: 66.667
- % of nonnative contacts: 57.895
- contact order: 0.289
- TM-score with the reference structure: 0.31
- Conformation # 94 read
-
-
- Conformation # 92 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.303220E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.180239E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.717061E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.519101E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.811720E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.025393E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.394769E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.470874E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.621015E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 2.533027E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.420583E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.014127E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.744387E+01 (total)
-RMS deviation from the reference structure: 4.453
- % of native contacts: 16.667
- % of nonnative contacts: 90.476
- contact order: 0.422
- TM-score with the reference structure: 0.30
- Conformation # 95 read
-
-
- Conformation # 93 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.226614E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.745809E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.028931E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.597513E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.931165E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.317458E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.154076E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.785145E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.515554E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -7.990279E-02 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.776963E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.350796E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.407985E+01 (total)
-RMS deviation from the reference structure: 4.627
- % of native contacts: 41.667
- % of nonnative contacts: 75.000
- contact order: 0.366
- TM-score with the reference structure: 0.30
- Conformation # 96 read
-
-
- Conformation # 89 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.216780E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.605876E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.915539E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.864593E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.764524E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.728191E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.457121E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -5.867677E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.196797E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.961794E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.051707E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.748902E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.789903E+01 (total)
-RMS deviation from the reference structure: 3.018
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.311
- TM-score with the reference structure: 0.31
- Conformation # 97 read
-
-
- Conformation # 95 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.158360E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.240418E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -5.123465E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.257724E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.959967E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.889849E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.591502E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 2.569923E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -3.446819E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.747673E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.036650E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.305998E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.522942E+01 (total)
-RMS deviation from the reference structure: 6.253
- % of native contacts: 16.667
- % of nonnative contacts: 87.500
- contact order: 0.327
- TM-score with the reference structure: 0.23
- Conformation # 98 read
-
-
- Conformation # 97 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.545589E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.332955E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.803422E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.502614E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.879955E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.383544E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.130221E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.385504E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.478508E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -6.288442E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.634837E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.152505E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.721072E+01 (total)
-RMS deviation from the reference structure: 2.819
- % of native contacts: 58.333
- % of nonnative contacts: 72.000
- contact order: 0.373
- TM-score with the reference structure: 0.29
- Conformation # 99 read
-
-
- Conformation # 96 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.326091E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.708400E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.976567E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.956288E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.744768E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.796956E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.044781E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 3.133864E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.799923E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.442120E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.585610E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.833803E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.931648E+01 (total)
-RMS deviation from the reference structure: 3.239
- % of native contacts: 66.667
- % of nonnative contacts: 61.905
- contact order: 0.264
- TM-score with the reference structure: 0.31
- Conformation # 100 read
-
-
- Conformation # 94 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.305504E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.040257E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.338760E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.906528E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.507829E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.942963E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.760565E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -7.554845E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.481652E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.535032E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.537199E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -6.138054E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.471788E+01 (total)
-RMS deviation from the reference structure: 6.453
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.259
- TM-score with the reference structure: 0.26
- Conformation # 101 read
-
-
- Conformation # 100 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.724607E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.144378E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.716260E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.743794E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.757445E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.796478E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.260098E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.875661E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.403382E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -7.543812E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.718962E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.812276E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.841506E+01 (total)
-RMS deviation from the reference structure: 3.317
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.354
- TM-score with the reference structure: 0.29
- Conformation # 102 read
-
-
- Conformation # 101 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.535100E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.839144E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.759179E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.979413E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.837418E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 6.252031E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.699362E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -4.486982E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.327375E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.023829E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.939267E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.329018E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.820701E+01 (total)
-RMS deviation from the reference structure: 6.768
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.239
- TM-score with the reference structure: 0.30
- Conformation # 103 read
-
-
- Conformation # 98 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.023063E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.036288E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.829780E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.090614E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.855234E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.318744E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.763032E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.230908E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.963788E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.842996E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.489684E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.092994E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.619176E+01 (total)
-RMS deviation from the reference structure: 4.544
- % of native contacts: 16.667
- % of nonnative contacts: 86.667
- contact order: 0.412
- TM-score with the reference structure: 0.31
- Conformation # 104 read
-
-
- Conformation # 102 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.143525E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.330895E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.094929E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.933403E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.827661E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.515089E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.127806E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -8.212386E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.108285E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.450661E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.904740E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.458355E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.643466E+01 (total)
-RMS deviation from the reference structure: 2.882
- % of native contacts: 25.000
- % of nonnative contacts: 84.211
- contact order: 0.203
- TM-score with the reference structure: 0.27
- Conformation # 105 read
-
-
- Conformation # 104 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.656538E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.258591E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.034152E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.375174E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.793318E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.643550E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.281829E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.594245E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.810727E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.733387E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.809409E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.663255E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -9.254286E+01 (total)
-RMS deviation from the reference structure: 2.382
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.323
- TM-score with the reference structure: 0.29
- Conformation # 106 read
-
-
- Conformation # 105 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.289427E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.605960E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.295068E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.980231E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.718328E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.526407E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.806244E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.783770E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.623660E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.962557E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.398270E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.266852E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.633541E+01 (total)
-RMS deviation from the reference structure: 4.495
- % of native contacts: 41.667
- % of nonnative contacts: 75.000
- contact order: 0.370
- TM-score with the reference structure: 0.28
- Conformation # 107 read
-
-
- Conformation # 74 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.160989E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.712138E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.602211E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.953271E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.820742E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.485379E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.983691E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 2.219656E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.176673E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.653175E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.842888E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.271701E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.576844E+01 (total)
-RMS deviation from the reference structure: 2.441
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.353
- TM-score with the reference structure: 0.36
- Conformation # 108 read
-
-
- Conformation # 106 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.302326E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.551519E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.062950E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.814223E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.701165E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.226743E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.326678E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 5.504132E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.826524E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.372321E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.749307E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.991077E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.396620E+01 (total)
-RMS deviation from the reference structure: 5.572
- % of native contacts: 33.333
- % of nonnative contacts: 81.818
- contact order: 0.320
- TM-score with the reference structure: 0.32
- Conformation # 109 read
-
-
- Conformation # 107 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.264810E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.669071E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.895333E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.958729E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.920952E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.800744E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.542073E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -6.834831E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.181027E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.270745E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.046080E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.835284E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.928515E+01 (total)
-RMS deviation from the reference structure: 3.100
- % of native contacts: 41.667
- % of nonnative contacts: 75.000
- contact order: 0.330
- TM-score with the reference structure: 0.31
- Conformation # 110 read
-
-
- Conformation # 76 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.100546E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.225860E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.688269E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.518619E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.920444E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.608150E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.241781E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.790444E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.548464E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.115284E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.801226E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.038171E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.705180E+01 (total)
-RMS deviation from the reference structure: 5.173
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.300
- TM-score with the reference structure: 0.31
- Conformation # 111 read
-
-
- Conformation # 109 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.511754E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.203137E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.003876E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.872842E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.447944E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.851850E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.954505E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 8.876741E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.413289E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.851723E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.654788E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.446977E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.508046E+01 (total)
-RMS deviation from the reference structure: 2.970
- % of native contacts: 58.333
- % of nonnative contacts: 73.077
- contact order: 0.329
- TM-score with the reference structure: 0.28
- Conformation # 112 read
-
-
- Conformation # 110 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.235956E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.791795E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.765061E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.432428E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.926526E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.043079E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.901212E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -8.860118E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.471032E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.627734E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.606694E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.519354E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.483028E+01 (total)
-RMS deviation from the reference structure: 4.780
- % of native contacts: 41.667
- % of nonnative contacts: 73.684
- contact order: 0.359
- TM-score with the reference structure: 0.29
- Conformation # 113 read
-
-
- Conformation # 103 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.590397E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.353249E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.085338E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.416531E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.856788E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.894802E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.206290E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.159705E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.397918E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.885036E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.912651E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 3.510779E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.900905E+01 (total)
-RMS deviation from the reference structure: 2.513
- % of native contacts: 58.333
- % of nonnative contacts: 69.565
- contact order: 0.312
- TM-score with the reference structure: 0.33
- Conformation # 114 read
-
-
- Conformation # 113 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.466127E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.757760E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.467414E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.411362E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.038540E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.535708E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.824628E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.369934E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.550612E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 2.419460E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.783336E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.375778E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.512033E+01 (total)
-RMS deviation from the reference structure: 4.896
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.282
- TM-score with the reference structure: 0.27
- Conformation # 115 read
-
-
- Conformation # 112 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.242327E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.094404E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.039435E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.910171E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.130438E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.997114E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.202100E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -5.630433E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.322731E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 6.838928E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.713124E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -6.964243E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.668798E+01 (total)
-RMS deviation from the reference structure: 3.428
- % of native contacts: 50.000
- % of nonnative contacts: 72.727
- contact order: 0.401
- TM-score with the reference structure: 0.27
- Conformation # 116 read
-
-
- Conformation # 115 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.851068E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.559134E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.666728E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.081903E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.144644E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.433608E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.961358E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 4.923647E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.015026E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.200885E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.436547E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.211555E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.491695E+01 (total)
-RMS deviation from the reference structure: 4.101
- % of native contacts: 33.333
- % of nonnative contacts: 76.471
- contact order: 0.321
- TM-score with the reference structure: 0.31
- Conformation # 117 read
-
-
- Conformation # 116 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.346322E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.023763E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.998351E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.376518E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.884941E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.421116E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.581505E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 9.189142E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.527252E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.767585E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.842217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.985457E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.952713E+01 (total)
-RMS deviation from the reference structure: 2.605
- % of native contacts: 50.000
- % of nonnative contacts: 71.429
- contact order: 0.290
- TM-score with the reference structure: 0.30
- Conformation # 118 read
-
-
- Conformation # 114 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.268079E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.741509E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.630309E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.337914E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.721869E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.598975E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.157598E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -4.446267E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.037918E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.677141E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.721241E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.211287E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.409392E+01 (total)
-RMS deviation from the reference structure: 3.329
- % of native contacts: 16.667
- % of nonnative contacts: 85.714
- contact order: 0.312
- TM-score with the reference structure: 0.28
- Conformation # 119 read
-
-
- Conformation # 108 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.860408E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 6.122271E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.220830E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.535458E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.524350E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.195598E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.190706E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.261634E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -9.534241E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -8.280665E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.781935E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.590914E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.636945E+01 (total)
-RMS deviation from the reference structure: 3.095
- % of native contacts: 58.333
- % of nonnative contacts: 65.000
- contact order: 0.261
- TM-score with the reference structure: 0.29
- Conformation # 120 read
-
-
- Conformation # 111 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.378916E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.375793E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.063399E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.885744E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.094057E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.870332E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.416172E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.469450E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.827931E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.511283E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.794873E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.158831E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.562473E+01 (total)
-RMS deviation from the reference structure: 4.105
- % of native contacts: 41.667
- % of nonnative contacts: 75.000
- contact order: 0.300
- TM-score with the reference structure: 0.29
- Conformation # 121 read
-
-
- Conformation # 119 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.331292E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.197925E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.034186E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.415704E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.593420E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.257270E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.460081E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.555473E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.828414E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.731423E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.829564E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.497192E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.855785E+01 (total)
-RMS deviation from the reference structure: 2.345
- % of native contacts: 50.000
- % of nonnative contacts: 72.727
- contact order: 0.339
- TM-score with the reference structure: 0.30
- Conformation # 122 read
-
-
- Conformation # 117 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.380249E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.929180E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.007539E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.523339E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.888660E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.005106E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.586017E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.418497E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.570984E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.752869E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.841239E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.063718E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -9.140482E+01 (total)
-RMS deviation from the reference structure: 2.858
- % of native contacts: 50.000
- % of nonnative contacts: 72.727
- contact order: 0.289
- TM-score with the reference structure: 0.31
- Conformation # 123 read
-
-
- Conformation # 69 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.920319E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.643192E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.548397E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.941732E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.939065E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.485384E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.975187E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.133724E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.566465E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.733689E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.409397E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.713680E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.377753E+01 (total)
-RMS deviation from the reference structure: 4.423
- % of native contacts: 25.000
- % of nonnative contacts: 83.333
- contact order: 0.394
- TM-score with the reference structure: 0.26
- Conformation # 124 read
-
-
- Conformation # 123 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.818313E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.869203E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.087081E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.098310E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.900805E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.979270E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.048510E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.670117E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.762290E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.112720E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.350122E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.988614E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.526164E+01 (total)
-RMS deviation from the reference structure: 4.105
- % of native contacts: 50.000
- % of nonnative contacts: 70.000
- contact order: 0.357
- TM-score with the reference structure: 0.31
- Conformation # 125 read
-
-
- Conformation # 122 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.397051E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.522837E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.637575E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.004787E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.737668E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.173907E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.419752E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 7.381487E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.527592E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.332356E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.653682E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.917438E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.810428E+01 (total)
-RMS deviation from the reference structure: 2.962
- % of native contacts: 50.000
- % of nonnative contacts: 72.727
- contact order: 0.312
- TM-score with the reference structure: 0.30
- Conformation # 126 read
-
-
- Conformation # 125 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.078950E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.913631E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.987614E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.172987E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.042024E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.081295E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.022220E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 6.869584E-02 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.216795E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.321539E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.944246E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.186088E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.377916E+01 (total)
-RMS deviation from the reference structure: 4.191
- % of native contacts: 33.333
- % of nonnative contacts: 80.952
- contact order: 0.294
- TM-score with the reference structure: 0.36
- Conformation # 127 read
-
-
- Conformation # 120 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.245943E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.785583E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.565528E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.726569E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.671199E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.105299E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.056150E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.657892E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.968664E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.870011E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.838360E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.709290E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.350519E+01 (total)
-RMS deviation from the reference structure: 4.702
- % of native contacts: 25.000
- % of nonnative contacts: 85.714
- contact order: 0.333
- TM-score with the reference structure: 0.31
- Conformation # 128 read
-
-
- Conformation # 127 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.219792E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.767414E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.382230E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -4.109974E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.128860E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.503076E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.940973E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 6.380910E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.982760E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.301500E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.491043E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.548721E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.424020E+01 (total)
-RMS deviation from the reference structure: 3.844
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.335
- TM-score with the reference structure: 0.27
- Conformation # 129 read
-
-
- Conformation # 121 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.255276E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.319358E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.048973E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.373419E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.757984E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.333407E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.312364E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.918612E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.966874E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -8.470271E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.663548E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.139967E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.455124E+01 (total)
-RMS deviation from the reference structure: 5.585
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.390
- TM-score with the reference structure: 0.31
- Conformation # 130 read
-
-
- Conformation # 124 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.216570E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.398055E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.099487E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.059308E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.016517E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.743627E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.139440E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.010718E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.096375E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.274612E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.929906E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.804433E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.839296E+01 (total)
-RMS deviation from the reference structure: 2.961
- % of native contacts: 25.000
- % of nonnative contacts: 85.000
- contact order: 0.250
- TM-score with the reference structure: 0.28
- Conformation # 131 read
-
-
- Conformation # 126 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.315049E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.486980E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.414008E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.009192E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.792281E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.398079E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 6.827375E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 2.220531E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.174507E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.626258E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.563617E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.296002E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.540776E+01 (total)
-RMS deviation from the reference structure: 5.716
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.361
- TM-score with the reference structure: 0.29
- Conformation # 132 read
-
-
- Conformation # 118 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.474473E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.750560E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.412480E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.369423E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.653839E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.578797E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.368973E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -8.265766E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.186114E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.812655E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.914220E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -6.140353E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.532067E+01 (total)
-RMS deviation from the reference structure: 6.960
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.242
- TM-score with the reference structure: 0.32
- Conformation # 133 read
-
-
- Conformation # 129 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.992025E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.429407E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.131370E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.881771E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.192389E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.779735E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.133735E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.500099E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.164916E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -6.690150E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.142928E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.161981E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.498153E+01 (total)
-RMS deviation from the reference structure: 4.133
- % of native contacts: 33.333
- % of nonnative contacts: 80.952
- contact order: 0.292
- TM-score with the reference structure: 0.33
- Conformation # 134 read
-
-
- Conformation # 133 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.189506E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.757256E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.838629E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.633343E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.915135E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.536124E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.916706E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.210189E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.380771E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.990572E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.962722E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.617477E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.434067E+01 (total)
-RMS deviation from the reference structure: 6.540
- % of native contacts: 33.333
- % of nonnative contacts: 76.471
- contact order: 0.230
- TM-score with the reference structure: 0.31
- Conformation # 135 read
-
-
- Conformation # 132 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.235582E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.207807E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.071050E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.711575E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.941223E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.129151E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.124429E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -6.972108E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.103880E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -6.315093E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.005791E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -8.401971E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.583962E+01 (total)
-RMS deviation from the reference structure: 2.352
- % of native contacts: 66.667
- % of nonnative contacts: 61.905
- contact order: 0.281
- TM-score with the reference structure: 0.33
- Conformation # 136 read
-
-
- Conformation # 135 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.430661E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.524140E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.366272E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.848621E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.707444E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 6.001340E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.757867E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -4.223775E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.061694E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.157413E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.909434E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.376204E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.703953E+01 (total)
-RMS deviation from the reference structure: 6.698
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.232
- TM-score with the reference structure: 0.29
- Conformation # 137 read
-
-
- Conformation # 134 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.756770E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.536451E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.876924E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.032483E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.564443E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.664901E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.344204E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -5.974403E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.272067E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.448776E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.772444E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.314844E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.641183E+01 (total)
-RMS deviation from the reference structure: 5.109
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.273
- TM-score with the reference structure: 0.29
- Conformation # 138 read
-
-
- Conformation # 99 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.312104E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.928392E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.012125E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.084398E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.965962E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.104372E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.034439E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 8.635473E-02 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.545925E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.838521E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.896499E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.141075E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.896393E+01 (total)
-RMS deviation from the reference structure: 2.928
- % of native contacts: 41.667
- % of nonnative contacts: 75.000
- contact order: 0.295
- TM-score with the reference structure: 0.30
- Conformation # 139 read
-
-
- Conformation # 137 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.367333E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.318729E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.058128E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.406776E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.243945E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.746250E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.207440E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -4.580531E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.450411E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.356009E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.003308E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.817261E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.552006E+01 (total)
-RMS deviation from the reference structure: 4.658
- % of native contacts: 25.000
- % of nonnative contacts: 86.957
- contact order: 0.318
- TM-score with the reference structure: 0.28
- Conformation # 140 read
-
-
- Conformation # 138 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.300626E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.615496E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.090571E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.887493E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.653725E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.899935E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 4.950980E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 4.426142E-02 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.299856E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.560256E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.260465E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.665086E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.435777E+01 (total)
-RMS deviation from the reference structure: 4.236
- % of native contacts: 50.000
- % of nonnative contacts: 68.421
- contact order: 0.400
- TM-score with the reference structure: 0.24
- Conformation # 141 read
-
-
- Conformation # 140 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.645151E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 6.044597E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.145364E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.092793E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.030256E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.586689E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.183785E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 2.569821E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.174140E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.712792E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.731778E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -6.682769E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.669181E+01 (total)
-RMS deviation from the reference structure: 4.091
- % of native contacts: 33.333
- % of nonnative contacts: 85.185
- contact order: 0.357
- TM-score with the reference structure: 0.29
- Conformation # 142 read
-
-
- Conformation # 141 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.034257E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.442400E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.209596E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -9.411377E+00 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.015021E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.578735E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.459115E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.096742E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -9.000401E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -6.529157E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.030217E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 6.080775E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.569521E+01 (total)
-RMS deviation from the reference structure: 1.555
- % of native contacts: 66.667
- % of nonnative contacts: 60.000
- contact order: 0.264
- TM-score with the reference structure: 0.33
- Conformation # 143 read
-
-
- Conformation # 139 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.244726E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.734514E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.172652E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.521856E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.199964E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.745964E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.357475E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.633357E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -9.060960E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.337424E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.868176E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.054629E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.835924E+01 (total)
-RMS deviation from the reference structure: 2.565
- % of native contacts: 50.000
- % of nonnative contacts: 64.706
- contact order: 0.316
- TM-score with the reference structure: 0.30
- Conformation # 144 read
-
-
- Conformation # 143 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.168270E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.466127E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.769092E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.996815E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.757063E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.149268E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.785018E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.049599E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.622474E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.140957E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.805006E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.270515E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.521142E+01 (total)
-RMS deviation from the reference structure: 4.999
- % of native contacts: 41.667
- % of nonnative contacts: 75.000
- contact order: 0.332
- TM-score with the reference structure: 0.31
- Conformation # 145 read
-
-
- Conformation # 136 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.137167E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.826020E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -5.567136E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.534443E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.385100E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.354404E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 2.827090E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 4.226415E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -3.948086E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.189720E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 6.395225E+00 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.666936E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.443194E+01 (total)
-RMS deviation from the reference structure: 4.404
- % of native contacts: 25.000
- % of nonnative contacts: 83.333
- contact order: 0.432
- TM-score with the reference structure: 0.16
- Conformation # 146 read
-
-
- Conformation # 145 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.575753E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.509284E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.110953E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.497661E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.835896E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.966412E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.307339E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.560249E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.435212E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.372683E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.993729E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.666365E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.536057E+01 (total)
-RMS deviation from the reference structure: 2.696
- % of native contacts: 50.000
- % of nonnative contacts: 68.421
- contact order: 0.342
- TM-score with the reference structure: 0.30
- Conformation # 147 read
-
-
- Conformation # 128 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.109691E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.613013E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.116374E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.004559E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.783304E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.334579E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.889354E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.267366E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.914368E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.942563E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.833681E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.484581E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.611861E+01 (total)
-RMS deviation from the reference structure: 6.515
- % of native contacts: 16.667
- % of nonnative contacts: 88.889
- contact order: 0.240
- TM-score with the reference structure: 0.29
- Conformation # 148 read
-
-
- Conformation # 142 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.896946E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.899465E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.383812E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.362475E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.763401E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.108967E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.452641E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.118518E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.526611E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -8.800915E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.597271E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 6.868818E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.402268E+01 (total)
-RMS deviation from the reference structure: 4.847
- % of native contacts: 25.000
- % of nonnative contacts: 82.353
- contact order: 0.393
- TM-score with the reference structure: 0.28
- Conformation # 149 read
-
-
- Conformation # 144 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.547446E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.257319E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.074350E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.074813E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.852376E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.706158E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.247413E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.452256E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.046857E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.466811E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.058328E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 8.747288E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.597580E+01 (total)
-RMS deviation from the reference structure: 2.113
- % of native contacts: 58.333
- % of nonnative contacts: 69.565
- contact order: 0.354
- TM-score with the reference structure: 0.30
- Conformation # 150 read
-
-
- Conformation # 147 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.155681E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.818943E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.335082E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.925071E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.648071E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.712920E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.176380E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.154835E-02 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.235225E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.790653E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.316114E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.944163E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.671363E+01 (total)
-RMS deviation from the reference structure: 3.593
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.381
- TM-score with the reference structure: 0.27
- Conformation # 151 read
-
-
- Conformation # 150 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.396932E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.430282E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.179717E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.128901E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.421364E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.086732E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 6.028775E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 2.895443E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.095709E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.618412E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.479271E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.319512E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.603090E+01 (total)
-RMS deviation from the reference structure: 3.301
- % of native contacts: 66.667
- % of nonnative contacts: 60.000
- contact order: 0.295
- TM-score with the reference structure: 0.30
- Conformation # 152 read
-
-
- Conformation # 146 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.706777E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.079806E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.896290E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.797634E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.035758E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.621479E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.445716E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 7.402192E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.810581E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.798879E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.595769E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.682979E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.433961E+01 (total)
-RMS deviation from the reference structure: 4.735
- % of native contacts: 25.000
- % of nonnative contacts: 84.211
- contact order: 0.404
- TM-score with the reference structure: 0.30
- Conformation # 153 read
-
-
- Conformation # 152 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.315680E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.772072E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.983751E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.007430E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.848395E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.971080E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.032006E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 2.546598E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.816331E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.178495E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.548426E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.915466E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.999497E+01 (total)
-RMS deviation from the reference structure: 3.174
- % of native contacts: 66.667
- % of nonnative contacts: 63.636
- contact order: 0.275
- TM-score with the reference structure: 0.30
- Conformation # 154 read
-
-
- Conformation # 149 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.240783E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.463085E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.976189E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.251683E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.889342E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.021142E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.528170E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.299596E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.016795E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.474699E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.497701E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -9.726432E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.619050E+01 (total)
-RMS deviation from the reference structure: 3.750
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.390
- TM-score with the reference structure: 0.30
- Conformation # 155 read
-
-
- Conformation # 151 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.330591E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.282622E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.267678E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.994737E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.994032E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.600043E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.243882E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -4.562866E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.967925E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.227015E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.780265E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.050642E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.334150E+01 (total)
-RMS deviation from the reference structure: 4.003
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.361
- TM-score with the reference structure: 0.28
- Conformation # 156 read
-
-
- Conformation # 153 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.568476E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.586922E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.771877E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.086863E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.770630E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.192691E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.376770E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.042681E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.628281E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 3.792327E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.739286E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.555324E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.805524E+01 (total)
-RMS deviation from the reference structure: 4.108
- % of native contacts: 33.333
- % of nonnative contacts: 81.818
- contact order: 0.374
- TM-score with the reference structure: 0.27
- Conformation # 157 read
-
-
- Conformation # 148 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.359528E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.872944E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.716265E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.501202E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.731413E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.018802E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.680232E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -8.194354E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.604564E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.929471E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.525257E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.007015E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.724651E+01 (total)
-RMS deviation from the reference structure: 3.544
- % of native contacts: 58.333
- % of nonnative contacts: 65.000
- contact order: 0.318
- TM-score with the reference structure: 0.28
- Conformation # 158 read
-
-
- Conformation # 130 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.390323E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.965018E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.013038E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.566271E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.096682E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.208016E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.040712E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.597264E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.941403E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.127132E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.979093E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.397899E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.556338E+01 (total)
-RMS deviation from the reference structure: 4.737
- % of native contacts: 25.000
- % of nonnative contacts: 84.211
- contact order: 0.323
- TM-score with the reference structure: 0.29
- Conformation # 159 read
-
-
- Conformation # 156 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.177085E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.780030E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.842148E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.872680E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.856514E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.905370E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.244463E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.026760E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.770924E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 3.308956E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.675430E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -7.432571E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.424746E+01 (total)
-RMS deviation from the reference structure: 5.387
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.230
- TM-score with the reference structure: 0.29
- Conformation # 160 read
-
-
- Conformation # 154 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.249458E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.202808E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.768082E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.826384E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.674698E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.612357E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.760077E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.921347E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.787341E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 6.220704E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.592056E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 5.023273E-02 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.587361E+01 (total)
-RMS deviation from the reference structure: 4.128
- % of native contacts: 25.000
- % of nonnative contacts: 85.714
- contact order: 0.405
- TM-score with the reference structure: 0.26
- Conformation # 161 read
-
-
- Conformation # 160 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.228110E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.964238E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.320658E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.852559E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.819485E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.190529E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.954317E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.031568E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.496078E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.981499E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.625952E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 4.057457E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.385496E+01 (total)
-RMS deviation from the reference structure: 4.542
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.294
- TM-score with the reference structure: 0.28
- Conformation # 162 read
-
-
- Conformation # 155 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.102233E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.347376E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.144757E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.469975E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.098015E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.814724E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.388686E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.982969E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.096849E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -7.687537E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.882570E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.959563E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.379634E+01 (total)
-RMS deviation from the reference structure: 3.185
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.291
- TM-score with the reference structure: 0.39
- Conformation # 163 read
-
-
- Conformation # 161 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.365628E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.783546E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.158648E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -4.130713E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.800202E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.046997E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.342562E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 8.754059E-02 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.094880E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.988711E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.313683E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.659103E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.907503E+01 (total)
-RMS deviation from the reference structure: 3.731
- % of native contacts: 41.667
- % of nonnative contacts: 78.261
- contact order: 0.399
- TM-score with the reference structure: 0.29
- Conformation # 164 read
-
-
- Conformation # 162 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.297196E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.274867E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.752295E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.449538E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.874635E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.442256E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.875904E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.381948E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.481657E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.104344E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.906658E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.688883E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.712038E+01 (total)
-RMS deviation from the reference structure: 3.306
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.333
- TM-score with the reference structure: 0.30
- Conformation # 165 read
-
-
- Conformation # 158 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.595937E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.650320E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.998371E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.278375E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.883679E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.943238E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.043145E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.731760E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.305491E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.827503E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.947147E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.488167E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.430218E+01 (total)
-RMS deviation from the reference structure: 7.144
- % of native contacts: 16.667
- % of nonnative contacts: 90.000
- contact order: 0.270
- TM-score with the reference structure: 0.30
- Conformation # 166 read
-
-
- Conformation # 165 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.153044E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.612537E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.648725E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.668271E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.891116E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.558682E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.961967E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.282324E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.938073E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 4.734051E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.432445E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 3.015546E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.379960E+01 (total)
-RMS deviation from the reference structure: 5.136
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.361
- TM-score with the reference structure: 0.29
- Conformation # 167 read
-
-
- Conformation # 157 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.147873E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.633755E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.433905E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.368798E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.131301E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.049782E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.189233E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.181067E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.699182E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.127157E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.639522E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 1.167567E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.695974E+01 (total)
-RMS deviation from the reference structure: 3.789
- % of native contacts: 33.333
- % of nonnative contacts: 80.000
- contact order: 0.393
- TM-score with the reference structure: 0.26
- Conformation # 168 read
-
-
- Conformation # 163 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.413799E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.954929E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.679368E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.856542E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.094072E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.949066E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.011359E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.502252E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.710760E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.606871E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.617372E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 7.685175E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.789425E+01 (total)
-RMS deviation from the reference structure: 4.237
- % of native contacts: 33.333
- % of nonnative contacts: 81.818
- contact order: 0.382
- TM-score with the reference structure: 0.22
- Conformation # 169 read
-
-
- Conformation # 167 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.233602E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.579518E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.564827E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.120805E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.894785E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.277435E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.104415E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 6.917291E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.483157E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.661002E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.583285E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.424840E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.814729E+01 (total)
-RMS deviation from the reference structure: 2.874
- % of native contacts: 50.000
- % of nonnative contacts: 68.421
- contact order: 0.280
- TM-score with the reference structure: 0.30
- Conformation # 170 read
-
-
- Conformation # 164 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.312852E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.463897E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.414070E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.016515E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.651662E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.544658E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.549284E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.278552E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.113391E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 4.911480E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.596057E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 2.485834E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.370977E+01 (total)
-RMS deviation from the reference structure: 2.832
- % of native contacts: 66.667
- % of nonnative contacts: 57.895
- contact order: 0.344
- TM-score with the reference structure: 0.28
- Conformation # 171 read
-
-
- Conformation # 169 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.590786E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.996003E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.141322E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.105772E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.856141E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.525815E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.175111E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 3.341056E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.130017E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.773832E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.723996E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.174814E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.467517E+01 (total)
-RMS deviation from the reference structure: 4.091
- % of native contacts: 33.333
- % of nonnative contacts: 84.615
- contact order: 0.348
- TM-score with the reference structure: 0.29
- Conformation # 172 read
-
-
- Conformation # 171 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.217333E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.316804E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.069891E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.892219E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.772521E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.511985E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.107330E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.383298E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.063446E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -6.405735E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.858560E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 4.244372E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.547741E+01 (total)
-RMS deviation from the reference structure: 3.320
- % of native contacts: 16.667
- % of nonnative contacts: 88.235
- contact order: 0.214
- TM-score with the reference structure: 0.30
- Conformation # 173 read
-
-
- Conformation # 168 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.458792E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.766625E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.173334E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.962082E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.686264E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.840521E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.603433E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.583762E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.969779E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.235385E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.642394E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.159022E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.944589E+01 (total)
-RMS deviation from the reference structure: 3.337
- % of native contacts: 66.667
- % of nonnative contacts: 65.217
- contact order: 0.292
- TM-score with the reference structure: 0.32
- Conformation # 174 read
-
-
- Conformation # 172 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.839551E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.889262E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.598909E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.184953E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.052573E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.004370E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.767030E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.798934E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.964763E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.281299E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.899748E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.694982E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.487372E+01 (total)
-RMS deviation from the reference structure: 4.975
- % of native contacts: 25.000
- % of nonnative contacts: 84.211
- contact order: 0.347
- TM-score with the reference structure: 0.29
- Conformation # 175 read
-
-
- Conformation # 173 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.015018E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.113216E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.474292E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.682747E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.151050E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.973033E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.190882E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.688992E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.420177E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 1.938192E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.491486E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 2.365172E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.337470E+01 (total)
-RMS deviation from the reference structure: 3.069
- % of native contacts: 66.667
- % of nonnative contacts: 60.000
- contact order: 0.389
- TM-score with the reference structure: 0.26
- Conformation # 176 read
-
-
- Conformation # 175 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.137608E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.959961E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.740231E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.806596E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.958164E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.555227E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.263582E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.735830E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.165243E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 5.493571E-02 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.400653E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.689443E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.362585E+01 (total)
-RMS deviation from the reference structure: 5.668
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.304
- TM-score with the reference structure: 0.33
- Conformation # 177 read
-
-
- Conformation # 176 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.116541E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.886986E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.097200E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.484384E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.784236E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 2.527404E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.281871E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.724432E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.411084E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -9.192385E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.497576E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.383636E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.642955E+01 (total)
-RMS deviation from the reference structure: 4.518
- % of native contacts: 33.333
- % of nonnative contacts: 80.952
- contact order: 0.400
- TM-score with the reference structure: 0.28
- Conformation # 178 read
-
-
- Conformation # 174 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.974373E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 6.138525E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.211905E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.711596E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.653085E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.770948E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.186215E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.161311E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -9.444611E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -8.220799E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.774770E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.603053E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.741118E+01 (total)
-RMS deviation from the reference structure: 3.130
- % of native contacts: 58.333
- % of nonnative contacts: 66.667
- contact order: 0.286
- TM-score with the reference structure: 0.29
- Conformation # 179 read
-
-
- Conformation # 178 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.943524E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.215555E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -4.837296E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.382279E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.905375E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.200207E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 4.610563E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -5.186061E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -3.289182E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 2.475586E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 9.173592E+00 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.560247E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.429116E+01 (total)
-RMS deviation from the reference structure: 5.777
- % of native contacts: 33.333
- % of nonnative contacts: 71.429
- contact order: 0.370
- TM-score with the reference structure: 0.26
- Conformation # 180 read
-
-
- Conformation # 170 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.102378E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.020422E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.113166E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.169392E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.746949E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.032019E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.412692E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.082782E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.910419E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.150570E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.567797E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.506688E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.408609E+01 (total)
-RMS deviation from the reference structure: 3.110
- % of native contacts: 33.333
- % of nonnative contacts: 76.471
- contact order: 0.299
- TM-score with the reference structure: 0.32
- Conformation # 181 read
-
-
- Conformation # 180 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.294898E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.812379E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.213610E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.157037E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.855572E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.654539E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.779046E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.219924E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.978885E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.539127E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.824649E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.513995E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.730857E+01 (total)
-RMS deviation from the reference structure: 6.420
- % of native contacts: 16.667
- % of nonnative contacts: 89.474
- contact order: 0.242
- TM-score with the reference structure: 0.29
- Conformation # 182 read
-
-
- Conformation # 181 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.167435E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.104408E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.084604E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.602434E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.813912E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.983673E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.253011E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.084882E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.355082E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.786102E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.099811E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.656303E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.506024E+01 (total)
-RMS deviation from the reference structure: 3.374
- % of native contacts: 33.333
- % of nonnative contacts: 78.947
- contact order: 0.189
- TM-score with the reference structure: 0.28
- Conformation # 183 read
-
-
- Conformation # 179 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.042455E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.031530E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.977404E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.150805E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.137169E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.365129E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.826279E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.139928E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.122898E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.375760E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.812851E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.968888E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.469444E+01 (total)
-RMS deviation from the reference structure: 3.290
- % of native contacts: 41.667
- % of nonnative contacts: 75.000
- contact order: 0.327
- TM-score with the reference structure: 0.28
- Conformation # 184 read
-
-
- Conformation # 183 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.290662E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.203538E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.058172E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.801298E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.072206E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.100340E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.109474E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -6.266683E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.995712E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -6.493522E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.980893E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -9.313854E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.760333E+01 (total)
-RMS deviation from the reference structure: 2.398
- % of native contacts: 66.667
- % of nonnative contacts: 61.905
- contact order: 0.281
- TM-score with the reference structure: 0.33
- Conformation # 185 read
-
-
- Conformation # 182 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.183758E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.743454E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.154283E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.167486E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.499176E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.142609E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.130860E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.803475E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.666148E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.392275E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.499051E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.417870E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.505513E+01 (total)
-RMS deviation from the reference structure: 4.486
- % of native contacts: 33.333
- % of nonnative contacts: 80.952
- contact order: 0.335
- TM-score with the reference structure: 0.30
- Conformation # 186 read
-
-
- Conformation # 177 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.660066E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.442083E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.058948E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.205653E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.555007E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.102221E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.252794E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.967661E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.298172E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -8.454496E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.902086E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 2.614676E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.435787E+01 (total)
-RMS deviation from the reference structure: 2.834
- % of native contacts: 41.667
- % of nonnative contacts: 79.167
- contact order: 0.343
- TM-score with the reference structure: 0.33
- Conformation # 187 read
-
-
- Conformation # 185 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.122106E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.786912E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.002588E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.521081E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.291917E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.728613E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.028393E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 3.914362E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.994705E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.417315E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.652343E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.623878E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.705950E+01 (total)
-RMS deviation from the reference structure: 3.761
- % of native contacts: 41.667
- % of nonnative contacts: 75.000
- contact order: 0.307
- TM-score with the reference structure: 0.28
- Conformation # 188 read
-
-
- Conformation # 184 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.318955E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.969906E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.045343E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.798253E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.003468E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.676988E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.251207E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.680267E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.570196E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 7.288080E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.891175E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.776835E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -9.019365E+01 (total)
-RMS deviation from the reference structure: 3.728
- % of native contacts: 33.333
- % of nonnative contacts: 81.818
- contact order: 0.374
- TM-score with the reference structure: 0.28
- Conformation # 189 read
-
-
- Conformation # 166 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.333903E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.213416E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.904729E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.512922E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.651884E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.160977E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 7.266246E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.867551E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.037951E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.210958E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.594324E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.698871E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.559597E+01 (total)
-RMS deviation from the reference structure: 3.749
- % of native contacts: 41.667
- % of nonnative contacts: 76.190
- contact order: 0.310
- TM-score with the reference structure: 0.28
- Conformation # 190 read
-
-
- Conformation # 188 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.396331E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.559336E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.291128E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.748976E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.846170E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.909058E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 6.041010E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 6.821197E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.213342E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -3.740863E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.339574E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.117864E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.410660E+01 (total)
-RMS deviation from the reference structure: 5.616
- % of native contacts: 16.667
- % of nonnative contacts: 87.500
- contact order: 0.355
- TM-score with the reference structure: 0.24
- Conformation # 191 read
-
-
- Conformation # 189 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.263079E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 5.408111E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.113443E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.325035E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.095656E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.467374E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.263673E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.837568E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -8.539620E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.807585E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 2.011414E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.824715E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.802600E+01 (total)
-RMS deviation from the reference structure: 2.436
- % of native contacts: 58.333
- % of nonnative contacts: 61.111
- contact order: 0.308
- TM-score with the reference structure: 0.29
- Conformation # 192 read
-
-
- Conformation # 191 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.073871E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.056598E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.352356E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.918988E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.957057E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.761702E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.000853E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.546632E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.250790E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 2.737265E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.727535E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.546896E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.472478E+01 (total)
-RMS deviation from the reference structure: 5.554
- % of native contacts: 25.000
- % of nonnative contacts: 85.000
- contact order: 0.316
- TM-score with the reference structure: 0.31
- Conformation # 193 read
-
-
- Conformation # 186 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.527879E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.375751E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.807597E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.103049E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.585945E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.123252E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.267809E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.792440E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.844763E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 2.758348E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.485649E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= 6.428202E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.409368E+01 (total)
-RMS deviation from the reference structure: 5.093
- % of native contacts: 25.000
- % of nonnative contacts: 86.364
- contact order: 0.357
- TM-score with the reference structure: 0.28
- Conformation # 194 read
-
-
- Conformation # 187 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.088940E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.624359E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.557901E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.950596E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.688642E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.134814E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.929300E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 2.340901E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.151629E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -5.369463E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.836256E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -5.442761E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.492766E+01 (total)
-RMS deviation from the reference structure: 2.237
- % of native contacts: 41.667
- % of nonnative contacts: 75.000
- contact order: 0.336
- TM-score with the reference structure: 0.37
- Conformation # 195 read
-
-
- Conformation # 193 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.549345E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.532214E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.233249E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.144804E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.501135E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.260462E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.996061E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.862324E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.112928E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.678970E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.476247E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.490979E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.792121E+01 (total)
-RMS deviation from the reference structure: 3.379
- % of native contacts: 58.333
- % of nonnative contacts: 65.000
- contact order: 0.307
- TM-score with the reference structure: 0.30
- Conformation # 196 read
-
-
- Conformation # 194 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.151012E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.463204E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.106776E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.006752E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.875413E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.400160E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.056549E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.360475E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.774039E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 4.233215E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.831070E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.527068E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.439082E+01 (total)
-RMS deviation from the reference structure: 4.765
- % of native contacts: 25.000
- % of nonnative contacts: 84.211
- contact order: 0.378
- TM-score with the reference structure: 0.26
- Conformation # 197 read
-
-
- Conformation # 195 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.188865E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.830600E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.851159E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.174164E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.934667E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.572007E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.744843E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.421162E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.113101E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 4.052227E-02 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.391149E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.065063E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.637917E+01 (total)
-RMS deviation from the reference structure: 4.817
- % of native contacts: 16.667
- % of nonnative contacts: 90.476
- contact order: 0.407
- TM-score with the reference structure: 0.32
- Conformation # 198 read
-
-
- Conformation # 196 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.689562E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.953417E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.575149E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -3.242620E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.655341E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.668342E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.437181E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= 1.050091E-02 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.033938E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 6.645582E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.246771E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -7.467353E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.887143E+01 (total)
-RMS deviation from the reference structure: 4.090
- % of native contacts: 41.667
- % of nonnative contacts: 77.273
- contact order: 0.430
- TM-score with the reference structure: 0.23
- Conformation # 199 read
-
-
- Conformation # 198 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.176116E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.918403E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.508124E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.767172E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.849045E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.386108E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.613555E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.102559E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.446175E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 2.582089E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.431340E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -3.237543E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.558028E+01 (total)
-RMS deviation from the reference structure: 4.677
- % of native contacts: 25.000
- % of nonnative contacts: 82.353
- contact order: 0.447
- TM-score with the reference structure: 0.29
- Conformation # 200 read
-
-
- Conformation # 192 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.120452E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.128917E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.326864E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.767216E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.027511E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.642033E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.392966E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.988926E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.319091E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -9.628265E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.739036E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.959788E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.706537E+01 (total)
-RMS deviation from the reference structure: 5.028
- % of native contacts: 50.000
- % of nonnative contacts: 70.000
- contact order: 0.282
- TM-score with the reference structure: 0.33
-
-
- Conformation # 200 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.424967E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.739725E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -6.507971E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.899902E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.664801E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.556747E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 5.566837E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -9.866388E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -4.817315E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.342387E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.437203E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.758924E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.806015E+01 (total)
-RMS deviation from the reference structure: 4.376
- % of native contacts: 41.667
- % of nonnative contacts: 78.261
- contact order: 0.387
- TM-score with the reference structure: 0.28
-
-
- Conformation # 199 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.087801E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.564249E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.564950E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.233310E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.877957E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.756011E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.658746E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -3.650807E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.431442E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -4.083900E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.665896E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.809986E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.334629E+01 (total)
-RMS deviation from the reference structure: 4.681
- % of native contacts: 25.000
- % of nonnative contacts: 84.211
- contact order: 0.330
- TM-score with the reference structure: 0.29
-
-
- Conformation # 197 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.270935E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.600203E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -9.159463E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -2.269199E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -4.033718E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.338191E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.002737E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.607228E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.856459E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.823195E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.817855E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -1.707506E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.752376E+01 (total)
-RMS deviation from the reference structure: 4.660
- % of native contacts: 58.333
- % of nonnative contacts: 66.667
- contact order: 0.327
- TM-score with the reference structure: 0.30
-
-
- Conformation # 190 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.038684E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.850926E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -1.024879E+02 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.444056E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.961792E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 4.782860E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 1.110474E+01 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -2.777569E-01 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -7.324958E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -2.717872E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.743721E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -7.098839E-01 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.406973E+01 (total)
-RMS deviation from the reference structure: 2.163
- % of native contacts: 50.000
- % of nonnative contacts: 66.667
- contact order: 0.323
- TM-score with the reference structure: 0.31
-
-
- Conformation # 159 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -5.279790E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 4.320690E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -8.623065E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.609644E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.956218E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 5.898284E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 9.671271E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.971714E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -6.391228E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= -1.117551E+00 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.837988E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -4.530386E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.503867E+01 (total)
-RMS deviation from the reference structure: 4.715
- % of native contacts: 41.667
- % of nonnative contacts: 73.684
- contact order: 0.337
- TM-score with the reference structure: 0.31
-
-
- Conformation # 131 sumsl return code 4
-
-Virtual-chain energies:
-
-EVDW= -4.897357E+01 WEIGHT= 1.352790D+00 (SC-SC)
-EVDW2= 3.915163E+01 WEIGHT= 1.593040D+00 (SC-p)
-EES= -7.616403E+01 WEIGHT= 7.153400D-01 (p-p)
-EVDWPP= -1.790272E+01 WEIGHT= 1.137100D-01 (p-p VDW)
-ESTR= 0.000000E+00 WEIGHT= 1.000000D+00 (stretching)
-EBE= -3.976098E+01 WEIGHT= 1.138730D+00 (bending)
-ESC= 3.234261E+01 WEIGHT= 1.625800D-01 (SC local)
-ETORS= 8.585411E+00 WEIGHT= 1.985990D+00 (torsional)
-ETORSD= -1.311838E+00 WEIGHT= 1.570690D+00 (double torsional)
-EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.)
-ECORR4= -5.707833E+01 WEIGHT= 4.288700D-01 (multi-body)
-ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body)
-EELLO= 9.255785E-01 WEIGHT= 1.603600D-01 (electrostatic-local)
-ETURN3= 1.512623E+01 WEIGHT= 1.687220D+00 (turns, 3rd order)
-ETURN4= -2.021032E+00 WEIGHT= 6.623000D-01 (turns, 4th order)
-ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order)
-ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr)
-EDIHC= 0.000000E+00 (dihedral angle constraints)
-ESS= 0.000000E+00 (disulfide-bridge intrinsic energy)
-UCONST= 0.000000E+00 (Constraint energy)
-EDFAD= 5.491269-315 (DFA distance energy)
-EDFAT= 6.953158-310 (DFA torsion energy)
-EDFAN= 6.953158-310 (DFA NCa energy)
-EDFAB= 2.650815-317 (DFA Beta energy)
-ETOT= -8.557646E+01 (total)
-RMS deviation from the reference structure: 4.777
- % of native contacts: 16.667
- % of nonnative contacts: 85.714
- contact order: 0.419
- TM-score with the reference structure: 0.31
-CG processor 0 is finishing work.
- Total wall clock time 1.34375000000000 sec
projects / unres.git / blobdiff