MODELLER 9.16, 2016/01/07, r10745 PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS Copyright(c) 1989-2016 Andrej Sali All Rights Reserved Written by A. Sali with help from B. Webb, M.S. Madhusudhan, M-Y. Shen, G.Q. Dong, M.A. Marti-Renom, N. Eswar, F. Alber, M. Topf, B. Oliva, A. Fiser, R. Sanchez, B. Yerkovich, A. Badretdinov, F. Melo, J.P. Overington, E. Feyfant University of California, San Francisco, USA Rockefeller University, New York, USA Harvard University, Cambridge, USA Imperial Cancer Research Fund, London, UK Birkbeck College, University of London, London, UK Kind, OS, HostName, Kernel, Processor: 4, Linux sunflower.rnet.missouri.edu 2.6.32-431.23.3.el6.x86_64 x86_64 Date and time of compilation : 2016/01/07 10:19:44 MODELLER executable type : i386-intel8 Job starting time (YY/MM/DD HH:MM:SS): 2016/04/05 22:42:09 openf___224_> Open $(LIB)/restyp.lib openf___224_> Open ${MODINSTALL9v16}/modlib/resgrp.lib rdresgr_266_> Number of residue groups: 2 openf___224_> Open ${MODINSTALL9v16}/modlib/sstruc.lib Dynamically allocated memory at amaxlibraries [B,KiB,MiB]: 191562 187.072 0.183 Dynamically allocated memory at amaxlibraries [B,KiB,MiB]: 192090 187.588 0.183 openf___224_> Open ${MODINSTALL9v16}/modlib/resdih.lib Dynamically allocated memory at amaxlibraries [B,KiB,MiB]: 240690 235.049 0.230 rdrdih__263_> Number of dihedral angle types : 9 Maximal number of dihedral angle optima: 3 Dihedral angle names : Alph Phi Psi Omeg chi1 chi2 chi3 chi4 chi5 openf___224_> Open ${MODINSTALL9v16}/modlib/radii.lib Dynamically allocated memory at amaxlibraries [B,KiB,MiB]: 253990 248.037 0.242 openf___224_> Open ${MODINSTALL9v16}/modlib/radii14.lib openf___224_> Open ${MODINSTALL9v16}/modlib/af_mnchdef.lib rdwilmo_274_> Mainchain residue conformation classes: APBLE openf___224_> Open ${MODINSTALL9v16}/modlib/mnch.lib rdclass_257_> Number of classes: 5 openf___224_> Open ${MODINSTALL9v16}/modlib/mnch1.lib openf___224_> Open ${MODINSTALL9v16}/modlib/mnch2.lib openf___224_> Open ${MODINSTALL9v16}/modlib/mnch3.lib openf___224_> Open ${MODINSTALL9v16}/modlib/xs4.mat rdrrwgh_268_> Number of residue types: 21 openf___224_> Open $(LIB)/top_heav.lib read_to_681_> topology.submodel read from topology file: 3 openf___224_> Open ../atom_files/pdb1fas.ent Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 401191 391.788 0.383 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 401267 391.862 0.383 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 401438 392.029 0.383 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 402288 392.859 0.384 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 403546 394.088 0.385 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 405450 395.947 0.387 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 405490 395.986 0.387 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 405580 396.074 0.387 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 408436 398.863 0.390 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 408496 398.922 0.390 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 408631 399.054 0.390 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 412915 403.237 0.394 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 413003 403.323 0.394 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 413201 403.517 0.394 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 419627 409.792 0.400 Dynamically allocated memory at amaxmodel [B,KiB,MiB]: 465355 454.448 0.444 read_mo_297_> Segments, residues, atoms: 1 61 468 read_mo_298_> Segment: 1 1 A 61 A 468 openf___224_> Open 1fas.sol openf___224_> Open 1fas.psa openf___224_> Open 1fas.ngh openf___224_> Open 1fas.dih openf___224_> Open 1fas.ssm The following residues have local mainchain curvature greater than 90 degrees: [Residue 6:A (type HIS), Residue 7:A (type THR), Residue 8:A (type THR), Residue 11:A (type ARG), Residue 12:A (type ALA), Residue 18:A (type GLY), Residue 19:A (type GLU), Residue 20:A (type ASN), Residue 29:A (type HIS), Residue 30:A (type PRO), Residue 31:A (type PRO), Residue 38:A (type GLY), Residue 39:A (type CYS), Residue 40:A (type GLY), Residue 45:A (type ASP), Residue 46:A (type ASP), Residue 47:A (type TYR), Residue 55:A (type SER), Residue 56:A (type PRO), Residue 57:A (type ASP)] Dynamically allocated memory at finish [B,KiB,MiB]: 465515 454.604 0.444 Starting time : 2016/04/05 22:42:09 Closing time : 2016/04/05 22:42:10 Total CPU time [seconds] : 0.29