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 22:42:10 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 ../atom_files/pdb2abx.ent Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 265123 258.909 0.253 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 265199 258.983 0.253 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 265370 259.150 0.253 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 266220 259.980 0.254 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 267478 261.209 0.255 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 269382 263.068 0.257 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 269422 263.107 0.257 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 269512 263.195 0.257 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 272368 265.984 0.260 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 272428 266.043 0.260 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 272563 266.175 0.260 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 276847 270.358 0.264 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 276935 270.444 0.264 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 277133 270.638 0.264 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 283559 276.913 0.270 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 283691 277.042 0.271 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 283988 277.332 0.271 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 284072 277.414 0.271 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 284072 277.414 0.271 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 293694 286.811 0.280 Dynamically allocated memory at amaxsequence [B,KiB,MiB]: 293894 287.006 0.280 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 294344 287.445 0.281 Dynamically allocated memory at amaxcoordinates [B,KiB,MiB]: 308794 301.557 0.294 Dynamically allocated memory at amaxmodel [B,KiB,MiB]: 411786 402.135 0.393 read_mo_297_> Segments, residues, atoms: 2 148 1102 read_mo_298_> Segment: 1 1 A 74 A 551 read_mo_298_> Segment: 2 1 B 74 B 551 Mapping from residue indices to PDB residue and chain names: 1 1:A ILE 2 2:A VAL 3 3:A CYS 4 4:A HIS 5 5:A THR 6 6:A THR 7 7:A ALA 8 8:A THR 9 9:A ILE 10 10:A PRO 11 11:A SER 12 12:A SER 13 13:A ALA 14 14:A VAL 15 15:A THR 16 16:A CYS 17 17:A PRO 18 18:A PRO 19 19:A GLY 20 20:A GLU 21 21:A ASN 22 22:A LEU 23 23:A CYS 24 24:A TYR 25 25:A ARG 26 26:A LYS 27 27:A MET 28 28:A TRP 29 29:A CYS 30 30:A ASP 31 31:A ALA 32 32:A PHE 33 33:A CYS 34 34:A SER 35 35:A SER 36 36:A ARG 37 37:A GLY 38 38:A LYS 39 39:A VAL 40 40:A VAL 41 41:A GLU 42 42:A LEU 43 43:A GLY 44 44:A CYS 45 45:A ALA 46 46:A ALA 47 47:A THR 48 48:A CYS 49 49:A PRO 50 50:A SER 51 51:A LYS 52 52:A LYS 53 53:A PRO 54 54:A TYR 55 55:A GLU 56 56:A GLU 57 57:A VAL 58 58:A THR 59 59:A CYS 60 60:A CYS 61 61:A SER 62 62:A THR 63 63:A ASP 64 64:A LYS 65 65:A CYS 66 66:A ASN 67 67:A HIS 68 68:A PRO 69 69:A PRO 70 70:A LYS 71 71:A ARG 72 72:A GLN 73 73:A PRO 74 74:A GLY 75 1:B ILE 76 2:B VAL 77 3:B CYS 78 4:B HIS 79 5:B THR 80 6:B THR 81 7:B ALA 82 8:B THR 83 9:B ILE 84 10:B PRO 85 11:B SER 86 12:B SER 87 13:B ALA 88 14:B VAL 89 15:B THR 90 16:B CYS 91 17:B PRO 92 18:B PRO 93 19:B GLY 94 20:B GLU 95 21:B ASN 96 22:B LEU 97 23:B CYS 98 24:B TYR 99 25:B ARG 100 26:B LYS 101 27:B MET 102 28:B TRP 103 29:B CYS 104 30:B ASP 105 31:B ALA 106 32:B PHE 107 33:B CYS 108 34:B SER 109 35:B SER 110 36:B ARG 111 37:B GLY 112 38:B LYS 113 39:B VAL 114 40:B VAL 115 41:B GLU 116 42:B LEU 117 43:B GLY 118 44:B CYS 119 45:B ALA 120 46:B ALA 121 47:B THR 122 48:B CYS 123 49:B PRO 124 50:B SER 125 51:B LYS 126 52:B LYS 127 53:B PRO 128 54:B TYR 129 55:B GLU 130 56:B GLU 131 57:B VAL 132 58:B THR 133 59:B CYS 134 60:B CYS 135 61:B SER 136 62:B THR 137 63:B ASP 138 64:B LYS 139 65:B CYS 140 66:B ASN 141 67:B HIS 142 68:B PRO 143 69:B PRO 144 70:B LYS 145 71:B ARG 146 72:B GLN 147 73:B PRO 148 74:B GLY Dynamically allocated memory at finish [B,KiB,MiB]: 411786 402.135 0.393 Starting time : 2016/04/05 22:42:10 Closing time : 2016/04/05 22:42:10 Total CPU time [seconds] : 0.19