Sunday, November 03 2024 22:39:24
UNRES
0.10s| Processors | [Graph]1 |
|---|
Show Command Line
Show Test Time Graph
Show Failing/Passing Graph
All files read
Option 0 selected (0 for protein, 1 for peptide)
Molecule 1 read
Molecule 2 read
Molecule 1 calculated
Chain 1 is starting from Gly GLY 1
How many dummy atoms: 3
Molecule 2 calculated
Number of atoms: 161 173
Min and max coordinates in the systems
1.81 23.30 -7.36 17.50 5.07 21.71
-2.36 16.81 -9.62 15.28 -1.31 23.95
Distances in axes x, y, z
21.49 24.86 16.65
19.17 24.90 25.26
Maximum distances:
28.266671080974497 29.868445992384672
Boxsize (suggested)
89.762143260129406
Center of masses:
0.00 -0.00 0.00
-0.00 0.00 0.00
Center of masses atoms:
ATOM 38 SG CYS 6 -0.137 -2.253 -0.293
ATOM 255 N LEU 14 -1.444 0.310 -0.206
Number of amino-acid residues in two proteins:
22 24
Original number of the first residue in the first protein:
1
Correction of the first residue in the first protein:
1
Rotation space (+/-): 28.930722996192337 30.614222996192336 26.508222996192337
Conformation will be saved to file:model01.pdb
Initial minimum distance between centers of mass: 16.541374999999999
Rotation vector: 7.5350195169448853E-002 -4.8749979585409164E-002 0.11488569527864456 -0.98931646347045898
Conformation 1 Is accepted after 3 8 1 1 23 attempts. Dist between CoM of previous= 16.541374999999999
Extr 4.6337947811961211 10.480326891628916 8.3798718496955296
Conformation will be saved to file:model02.pdb
Rotation vector: 5.3512267768383026E-002 0.57566791772842407 -0.64955914020538330 0.49377715587615967
Conformation 2 Is accepted after 3 1 1 1 5 attempts. Dist between CoM of previous= 16.541374999999999
Extr 11.398058029111384 12.013394158492321 0.79819739616563057
Conformation will be saved to file:model03.pdb
Rotation vector: 0.51342946290969849 -0.40641844272613525 -0.72298574447631836 0.22024047374725342
Conformation 3 Is accepted after 3 4 1 6 17 attempts. Dist between CoM of previous= 16.534760382223379
Extr 8.7530545614423989 7.0466001427135465 22.707090403316396
Conformation will be saved to file:model04.pdb
Rotation vector: 0.34528350830078125 0.23832431435585022 -8.6202077567577362E-002 -0.90363156795501709
Conformation 4 Is accepted after 3 4 1 12 48 attempts. Dist between CoM of previous= 16.526826332296622
Extr 14.163852650952622 5.6508270573301660 13.247311121217450
Conformation will be saved to file:model05.pdb
Rotation vector: 0.84592157602310181 0.48746404051780701 0.20356252789497375 7.3196470737457275E-002
Conformation 5 Is accepted after 3 4 1 31 77 attempts. Dist between CoM of previous= 16.501726948308935
Extr 20.164521567467379 10.904588539300779 8.7874773389295981
Conformation will be saved to file:model06.pdb
Rotation vector: -0.52469849586486816 0.26228791475296021 0.59287077188491821 0.55172532796859741
Conformation 6 Is accepted after 3 1 1 19 40 attempts. Dist between CoM of previous= 16.517574752312676
Extr 6.2891412583256372 23.246758833390444 8.0730712035985412
Conformation will be saved to file:model07.pdb
Rotation vector: -0.65576124191284180 -0.55950880050659180 -0.30901855230331421 0.40178930759429932
Conformation 7 Is accepted after 3 8 1 48 94 attempts. Dist between CoM of previous= 16.479301917499772
Extr 18.317145297501202 7.0249951040542777 13.652123147086851
Conformation will be saved to file:model08.pdb
Rotation vector: 0.55945277214050293 0.65774559974670410 5.9493381530046463E-002 -0.50084316730499268
Conformation 8 Is accepted after 3 6 1 39 77 attempts. Dist between CoM of previous= 16.491170193869358
Extr 12.107312895426857 16.174101262293927 5.9372851797702149
8 starting models generated
