Friday, November 01 2024 00:02:09
UNRES
0.08s| Processors | [Graph]1 |
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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: 0.25997415184974670 0.22981546819210052 -0.34312832355499268 -0.87284660339355469
Conformation 1 Is accepted after 3 13 1 1 38 attempts. Dist between CoM of previous= 16.541374999999999
Extr 15.778834244903964 8.9054801513581943 7.2834690793242212
Conformation will be saved to file:model02.pdb
Rotation vector: 4.4487353414297104E-002 -0.12677571177482605 0.99058753252029419 2.6173710823059082E-002
Conformation 2 Is accepted after 3 5 1 4 40 attempts. Dist between CoM of previous= 16.537405911865847
Extr 3.6134295780952734 26.078157541684110 0.10622744849204628
Conformation will be saved to file:model03.pdb
Rotation vector: -0.56637805700302124 -0.79033154249191284 7.9122141003608704E-002 -0.21984434127807617
Conformation 3 Is accepted after 3 1 1 1 2 attempts. Dist between CoM of previous= 16.541374999999999
Extr 12.957817262378443 13.709915221212373 2.7626215067137676
Conformation will be saved to file:model04.pdb
Rotation vector: 0.41096511483192444 -6.3632167875766754E-002 -0.50369065999984741 -0.75720167160034180
Conformation 4 Is accepted after 3 4 1 4 24 attempts. Dist between CoM of previous= 16.537405911865847
Extr 7.6660031501107628 1.7637010545511087 16.979062173782481
Conformation will be saved to file:model05.pdb
Rotation vector: -0.48061668872833252 0.47199395298957825 0.46577793359756470 -0.57382941246032715
Conformation 5 Is accepted after 3 3 1 2 8 attempts. Dist between CoM of previous= 16.540051864787934
Extr 1.0256625766963494 1.3000248093251772 18.990014513495215
Conformation will be saved to file:model06.pdb
Rotation vector: 0.17566192150115967 -0.50035279989242554 0.33749619126319885 0.77774435281753540
Conformation 6 Is accepted after 3 1 1 4 6 attempts. Dist between CoM of previous= 16.537405911865847
Extr 11.980369062547330 12.763760507927309 13.661540025850133
Conformation will be saved to file:model07.pdb
Rotation vector: -0.48347696661949158 -0.56326270103454590 -0.16827887296676636 -0.64858877658843994
Conformation 7 Is accepted after 3 2 1 24 46 attempts. Dist between CoM of previous= 16.510969651854992
Extr 13.406383407771903 1.4128527443234828 8.3819069067168499
Conformation will be saved to file:model08.pdb
Rotation vector: -0.47389367222785950 0.36194467544555664 0.76385205984115601 -0.24688220024108887
Conformation 8 Is accepted after 3 6 1 183 361 attempts. Dist between CoM of previous= 16.302299293349598
Extr 14.132978895466389 4.0263325221404047 9.3477753052917087
8 starting models generated
