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 22:41:50 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 toxin.ali Dynamically allocated memory at amaxalignment [B,KiB,MiB]: 257771 251.729 0.246 Dynamically allocated memory at amaxalignment [B,KiB,MiB]: 263134 256.967 0.251 Dynamically allocated memory at amaxalignment [B,KiB,MiB]: 278226 271.705 0.265 Dynamically allocated memory at amaxalignment [B,KiB,MiB]: 293626 286.744 0.280 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 293866 286.979 0.280 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 294146 287.252 0.281 Read the alignment from file : toxin.ali Total number of alignment positions: 75 # Code #_Res #_Segm PDB_code Name ------------------------------------------------------------------------------- 1 1fas 61 1 1fas fasciculin 1 2 2ctx 71 1 2ctx alpha-cobratoxin align___276_> 'align_block' changed to 1. openf___224_> Open $(LIB)/as1.sim.mat rdrrwgh_268_> Number of residue types: 20 Pairwise dynamic programming alignment (ALIGN): Residue-residue metric : $(LIB)/as1.sim.mat Diagonal : 100 Overhang : 0 Local alignment : F MATRIX_OFFSET (local aln): 0.0000 N_SUBOPT : 0 SUBOPT_OFFSET : 0.0000 Alignment block : 1 Gap introduction penalty : -600.0000 Gap extension penalty : -400.0000 Break-break bonus : 10000.0000 Length of alignment : 71 Score : 26716.0000 openf___224_> Open toxin-seq.ali Dynamically allocated memory at finish [B,KiB,MiB]: 294146 287.252 0.281 Starting time : 2016/04/05 22:41:50 Closing time : 2016/04/05 22:41:50 Total CPU time [seconds] : 0.17