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 read_to_681_> topology.submodel read from topology file: 3 SUPERPOSITION OF TWO 3D STRUCTURES (MODEL2 onto MODEL): # ALGNMT CODE 1 orig 2 swap Least-squares superposition: PICKed MODEL atoms are used for superposition if they have equivalent atoms in MODEL2 Superposition done : T Refine using local substructures : T Numb of residues in MODEL : 55 Numb of atoms/sel atoms in MODEL : 380 380 Numb of residues in MODEL2 : 55 Numb of atoms in MODEL2 : 380 Equivalences refinement : F Numb of aligned equiv positions : 380 Numb of aligned equiv distances : 72010 RMS before superposition : 50.1004 RMS after superposition : 2.5951 DRMS : 1.7157 Distance cutoff : 3.5000 Numb of equiv cutoff positions : 328 Numb of equiv cutoff distances : 67559 Cutoff RMS after superposition : 1.6077 Cutoff DRMS : 1.2666 X_new = Rotation * X + Translation Rotation matrix : 0.9321 0.3614 -0.0239 -0.2888 0.7017 -0.6513 -0.2186 0.6140 0.7584 Translation vector: -17.2733 27.0862 46.8382 SUPERPOSITION OF TWO 3D STRUCTURES (MODEL2 onto MODEL): # ALGNMT CODE 1 orig 2 swap Least-squares superposition: PICKed MODEL atoms are used for superposition if they have equivalent atoms in MODEL2 Superposition done : F Refine using local substructures : T Numb of residues in MODEL : 55 Numb of atoms/sel atoms in MODEL : 380 380 Numb of residues in MODEL2 : 55 Numb of atoms in MODEL2 : 380 Equivalences refinement : F Numb of aligned equiv positions : 380 Numb of aligned equiv distances : 72010 RMS before superposition : 2.5657 RMS after superposition : 2.5657 DRMS : 1.6821 Distance cutoff : 3.5000 Numb of equiv cutoff positions : 329 Numb of equiv cutoff distances : 67814 Cutoff RMS after superposition : 1.5922 Cutoff DRMS : 1.2488 SUPERPOSITION OF TWO 3D STRUCTURES (MODEL2 onto MODEL): # ALGNMT CODE 1 orig 2 swap Least-squares superposition: PICKed MODEL atoms are used for superposition if they have equivalent atoms in MODEL2 Superposition done : T Refine using local substructures : T Numb of residues in MODEL : 55 Numb of atoms/sel atoms in MODEL : 380 380 Numb of residues in MODEL2 : 55 Numb of atoms in MODEL2 : 380 Equivalences refinement : F Numb of aligned equiv positions : 380 Numb of aligned equiv distances : 72010 RMS before superposition : 2.5657 RMS after superposition : 2.5366 DRMS : 1.6821 Distance cutoff : 3.5000 Numb of equiv cutoff positions : 330 Numb of equiv cutoff distances : 67814 Cutoff RMS after superposition : 1.5269 Cutoff DRMS : 1.2488 X_new = Rotation * X + Translation Rotation matrix : 0.9986 0.0395 -0.0361 -0.0379 0.9983 0.0435 0.0378 -0.0420 0.9984 Translation vector: 2.0928 -3.0719 0.6205 Total CPU time [seconds] : 0.31