MODELLER 6v2, 17 Feb 2002 PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS Copyright(c) 1989-2002 Andrej Sali All Rights Reserved Written by A. Sali with help from A. Fiser, R. Sanchez, M.A. Marti-Renom, B. Jerkovic, A. Badretdinov, F. Melo, J.P. Overington & E. Feyfant 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, IRIX64 origin 6.5 IP35 Date and time of compilation : 07/05/2002 17:12:26 Job starting time (YY/MM/DD HH:MM:SS): 2002/07/08 11:15:21.261 iatmcls_286W> MODEL atom not classified: ####:N #### mkapsa__293W> No TOPOLOGY_LIB is in memory. Use READ_TOPOLOGY to read one. iup2crm_280W> No TOPOLOGY_LIB in memory or assigning a BLK residue. Default CHARMM atom type assigned: N --> N This message is written only for the first such atom. fndatmi_285W> Number of residues <> number of atoms; atom code: 17 16 CA fndatmi_285W> Number of residues <> number of atoms; atom code: 17 16 CA Pairwise dynamic programming alignment (ALIGN2D): Residue-residue metric : ${MODINSTALL6v2}/modlib//as1.sim.mat Diagonal : 100 Overhang : 0 Maximal gap length : 999999 Local alignment : F MATRIX_OFFSET (local aln): 0.0000 FIX_OFFSETS : 0.0 1000.0 2000.0 3000.0 4000.0 N_SUBOPT : 1 SUBOPT_OFFSET : 2.0000 Alignment block : 1 Gap introduction penalty : -900.0000 Gap extension penalty : -50.0000 Gap diagonal penalty : 0.0000 Structure gap penalties : 0.350 1.200 0.900 1.200 0.600 8.600 1.200 Length of alignment : 17 Score : 11718.0000 Dynamically allocated memory at finish [B,kB,MB]: 3016257 2945.563 2.877 Starting time : 2002/07/08 11:15:21.261 Closing time : 2002/07/08 11:15:23.850 Total CPU time [seconds] : 0.00