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 22:41:57 Characterization of structure: 1 2ctx Atom file : 1 ../atom_files/pdb2ctx.ent >> Positions of CYS residues: # RESPDB RES -------------------- 3 3 CYS 14 14 CYS 20 20 CYS 26 26 CYS 30 30 CYS 41 41 CYS 45 45 CYS 56 56 CYS 57 57 CYS 62 62 CYS >> Charges: Number of ASP & GLU residues : 6 Number of LYS & ARG residues : 10 Total charge : 4 >> CYS--CYS disulfides [defined by SG-SG < 2.50A]: # IR1 NUM1 RES1 IR2 NUM2 RES2 IA1 ATM1 IA2 ATM2 --------------------------------------------------------------- 1 3 3 CYS -- 20 20 CYS 25 SG -- 148 SG 2 14 14 CYS -- 41 41 CYS 106 SG -- 314 SG 3 26 26 CYS -- 30 30 CYS 203 SG -- 232 SG 4 45 45 CYS -- 56 56 CYS 337 SG -- 416 SG 5 57 57 CYS -- 62 62 CYS 422 SG -- 457 SG >> Omega deviations from 180 larger than [degrees]: 30.000 RES-RES # PDBNO-PDBNO OMEGA --------------------------------------- THR -PRO 6 6 - 7 3.6 >> Chain breaks [A]: 5.00 Characterization of structure: 2 2abx Atom file : 2 ../atom_files/pdb2abx.ent >> Positions of CYS residues: # RESPDB RES -------------------- 3 3 CYS 16 16 CYS 23 23 CYS 29 29 CYS 33 33 CYS 44 44 CYS 48 48 CYS 59 59 CYS 60 60 CYS 65 65 CYS >> Charges: Number of ASP & GLU residues : 6 Number of LYS & ARG residues : 9 Total charge : 3 >> CYS--CYS disulfides [defined by SG-SG < 2.50A]: # IR1 NUM1 RES1 IR2 NUM2 RES2 IA1 ATM1 IA2 ATM2 --------------------------------------------------------------- 1 3 3 CYS -- 23 23 CYS 21 SG -- 158 SG 2 16 16 CYS -- 44 44 CYS 109 SG -- 325 SG 3 29 29 CYS -- 33 33 CYS 218 SG -- 248 SG 4 48 48 CYS -- 59 59 CYS 348 SG -- 436 SG 5 60 60 CYS -- 65 65 CYS 442 SG -- 478 SG >> Omega deviations from 180 larger than [degrees]: 30.000 RES-RES # PDBNO-PDBNO OMEGA --------------------------------------- >> Chain breaks [A]: 5.00 Total CPU time [seconds] : 0.19