# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 17:46:11 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SR384_R3_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SR384_R3_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 70 Number of peaks NOT matched in the Peak List: 70 M score = 1 Average shift in HX: nan Average ab-shift in HX: nan(Assignment used: 0) Average shift in X: nan Average ab-shift in X: nan(Assignment used: 0) Average shift in HX2: nan Average ab-shift in HX2: nan(Assignment used: 0) Input error: M-score > 0.5 # Summary for c_aro.peaks Total simulated peaks: 4 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: 0.00075 Average ab-shift in HX: 0.00075(Assignment used: 2) Average shift in X: 0.005 Average ab-shift in X: 0.045(Assignment used: 2) Average shift in HX2: 0.0018 Average ab-shift in HX2: 0.0022(Assignment used: 4) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0(0/35) Model 1 Inconsistent score: 0(0/35) Model 2 Inconsistent score: 0(0/35) Model 3 Inconsistent score: 0(0/35) Model 4 Inconsistent score: 0(0/35) Model 5 Inconsistent score: 0(0/35) Model 6 Inconsistent score: 0.0286(1/35) Model 7 Inconsistent score: 0(0/35) Model 8 Inconsistent score: 0(0/35) Model 9 Inconsistent score: 0.0286(1/35) Model 10 Inconsistent score: 0(0/35) Model 11 Inconsistent score: 0.0286(1/35) Model 12 Inconsistent score: 0(0/35) Model 13 Inconsistent score: 0(0/35) Model 14 Inconsistent score: 0(0/35) Model 15 Inconsistent score: 0.0286(1/35) Model 16 Inconsistent score: 0(0/35) Model 17 Inconsistent score: 0(0/35) Model 18 Inconsistent score: 0(0/35) Model 19 Inconsistent score: 0(0/35) Model 20 Inconsistent score: 0.0286(1/35) Model ave Missing interactions: 0.375 (18/48) weighted: 0.0821 (3.35e+03/4.08e+04) <3: nan (0/0) <3w: nan (0/0) Model 1 Missing interactions: 0.492 (32/65) weighted: 0.162 (1.61e+04/9.94e+04) <3: nan (0/0) <3w: nan (0/0) Model 2 Missing interactions: 0.476 (30/63) weighted: 0.101 (1.05e+04/1.04e+05) <3: nan (0/0) <3w: nan (0/0) Model 3 Missing interactions: 0.377 (20/53) weighted: 0.0758 (5.2e+03/6.86e+04) <3: nan (0/0) <3w: nan (0/0) Model 4 Missing interactions: 0.526 (41/78) weighted: 0.324 (4.3e+04/1.33e+05) <3: nan (0/0) <3w: nan (0/0) Model 5 Missing interactions: 0.45 (27/60) weighted: 0.108 (1.04e+04/9.55e+04) <3: nan (0/0) <3w: nan (0/0) Model 6 Missing interactions: 0.4 (20/50) weighted: 0.0737 (6.84e+03/9.29e+04) <3: nan (0/0) <3w: nan (0/0) Model 7 Missing interactions: 0.385 (20/52) weighted: 0.267 (1.93e+04/7.22e+04) <3: nan (0/0) <3w: nan (0/0) Model 8 Missing interactions: 0.393 (22/56) weighted: 0.273 (2.45e+04/8.97e+04) <3: nan (0/0) <3w: nan (0/0) Model 9 Missing interactions: 0.5 (33/66) weighted: 0.167 (1.34e+04/8.03e+04) <3: nan (0/0) <3w: nan (0/0) Model 10 Missing interactions: 0.507 (34/67) weighted: 0.298 (3.46e+04/1.16e+05) <3: nan (0/0) <3w: nan (0/0) Model 11 Missing interactions: 0.444 (24/54) weighted: 0.111 (9.3e+03/8.36e+04) <3: nan (0/0) <3w: nan (0/0) Model 12 Missing interactions: 0.564 (44/78) weighted: 0.396 (4.98e+04/1.26e+05) <3: nan (0/0) <3w: nan (0/0) Model 13 Missing interactions: 0.426 (23/54) weighted: 0.148 (1.48e+04/1e+05) <3: nan (0/0) <3w: nan (0/0) Model 14 Missing interactions: 0.421 (24/57) weighted: 0.0822 (7.84e+03/9.54e+04) <3: nan (0/0) <3w: nan (0/0) Model 15 Missing interactions: 0.448 (26/58) weighted: 0.192 (1.07e+04/5.58e+04) <3: nan (0/0) <3w: nan (0/0) Model 16 Missing interactions: 0.429 (24/56) weighted: 0.111 (1.22e+04/1.1e+05) <3: nan (0/0) <3w: nan (0/0) Model 17 Missing interactions: 0.421 (24/57) weighted: 0.192 (2.04e+04/1.06e+05) <3: nan (0/0) <3w: nan (0/0) Model 18 Missing interactions: 0.431 (25/58) weighted: 0.205 (2.37e+04/1.16e+05) <3: nan (0/0) <3w: nan (0/0) Model 19 Missing interactions: 0.468 (29/62) weighted: 0.109 (1.05e+04/9.65e+04) <3: nan (0/0) <3w: nan (0/0) Model 20 Missing interactions: 0.515 (34/66) weighted: 0.261 (2.52e+04/9.64e+04) <3: nan (0/0) <3w: nan (0/0) Model ave Recall: 1 Precision: all: 0.625 allw: 0.918 <3: nan <3w: nan F-measure:(Recall,Precision) 0.769 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 1 Recall: 1 Precision: all: 0.508 allw: 0.838 <3: nan <3w: nan F-measure:(Recall,Precision) 0.673 F-measure:(Recall,PrecisionW) 0.912 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 2 Recall: 1 Precision: all: 0.524 allw: 0.899 <3: nan <3w: nan F-measure:(Recall,Precision) 0.688 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 3 Recall: 1 Precision: all: 0.623 allw: 0.924 <3: nan <3w: nan F-measure:(Recall,Precision) 0.767 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 4 Recall: 1 Precision: all: 0.474 allw: 0.676 <3: nan <3w: nan F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.807 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 5 Recall: 1 Precision: all: 0.55 allw: 0.892 <3: nan <3w: nan F-measure:(Recall,Precision) 0.71 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 6 Recall: 0.971 Precision: all: 0.6 allw: 0.926 <3: nan <3w: nan F-measure:(Recall,Precision) 0.742 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 7 Recall: 1 Precision: all: 0.615 allw: 0.733 <3: nan <3w: nan F-measure:(Recall,Precision) 0.762 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 8 Recall: 1 Precision: all: 0.607 allw: 0.727 <3: nan <3w: nan F-measure:(Recall,Precision) 0.756 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 9 Recall: 0.971 Precision: all: 0.5 allw: 0.833 <3: nan <3w: nan F-measure:(Recall,Precision) 0.66 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 10 Recall: 1 Precision: all: 0.493 allw: 0.702 <3: nan <3w: nan F-measure:(Recall,Precision) 0.66 F-measure:(Recall,PrecisionW) 0.825 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 11 Recall: 0.971 Precision: all: 0.556 allw: 0.889 <3: nan <3w: nan F-measure:(Recall,Precision) 0.707 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 12 Recall: 1 Precision: all: 0.436 allw: 0.604 <3: nan <3w: nan F-measure:(Recall,Precision) 0.607 F-measure:(Recall,PrecisionW) 0.753 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 13 Recall: 1 Precision: all: 0.574 allw: 0.852 <3: nan <3w: nan F-measure:(Recall,Precision) 0.729 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 14 Recall: 1 Precision: all: 0.579 allw: 0.918 <3: nan <3w: nan F-measure:(Recall,Precision) 0.733 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 15 Recall: 0.971 Precision: all: 0.552 allw: 0.808 <3: nan <3w: nan F-measure:(Recall,Precision) 0.704 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 16 Recall: 1 Precision: all: 0.571 allw: 0.889 <3: nan <3w: nan F-measure:(Recall,Precision) 0.727 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 17 Recall: 1 Precision: all: 0.579 allw: 0.808 <3: nan <3w: nan F-measure:(Recall,Precision) 0.733 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 18 Recall: 1 Precision: all: 0.569 allw: 0.795 <3: nan <3w: nan F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 19 Recall: 1 Precision: all: 0.532 allw: 0.891 <3: nan <3w: nan F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 20 Recall: 0.971 Precision: all: 0.485 allw: 0.739 <3: nan <3w: nan F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan For freely-rotating-chain model: Model ave Inconsistent score: 0.486(17/35) Model ave Missing interactions: 0.273 (3/11) weighted: 0.144 (227/1.58e+03) <3: nan (0/0) <3w: nan (0/0) Recall: 0.514 Precision: all: 0.727 allw: 0.856 F-measure:(RecallFree,PrecisionFree) 0.603 F-measure:(ReallFree,PrecisionFreeW) 0.643 # Summary for c_ali.peaks Total simulated peaks: 377 Number of peaks NOT matched in the Peak List: 4 M score = 0.011 Average shift in HX: 0.00093 Average ab-shift in HX: 0.0013(Assignment used: 197) Average shift in X: 0.0041 Average ab-shift in X: 0.009(Assignment used: 148) Average shift in HX2: 8.7e-05 Average ab-shift in HX2: 0.0016(Assignment used: 238) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.00861(17/1974) Model 1 Inconsistent score: 0.0111(22/1974) Model 2 Inconsistent score: 0.0111(22/1974) Model 3 Inconsistent score: 0.0142(28/1974) Model 4 Inconsistent score: 0.0122(24/1974) Model 5 Inconsistent score: 0.0117(23/1974) Model 6 Inconsistent score: 0.00912(18/1974) Model 7 Inconsistent score: 0.0127(25/1974) Model 8 Inconsistent score: 0.0122(24/1974) Model 9 Inconsistent score: 0.0122(24/1974) Model 10 Inconsistent score: 0.00861(17/1974) Model 11 Inconsistent score: 0.0117(23/1974) Model 12 Inconsistent score: 0.0117(23/1974) Model 13 Inconsistent score: 0.0101(20/1974) Model 14 Inconsistent score: 0.0101(20/1974) Model 15 Inconsistent score: 0.00811(16/1974) Model 16 Inconsistent score: 0.00861(17/1974) Model 17 Inconsistent score: 0.00912(18/1974) Model 18 Inconsistent score: 0.0142(28/1974) Model 19 Inconsistent score: 0.00709(14/1974) Model 20 Inconsistent score: 0.0111(22/1974) Model ave Missing interactions: 0.325 (660/2028) weighted: 0.0549 (2.93e+05/5.34e+06) <3: 0.00379 (1/264) <3w: 0.00402 (1.04e+04/2.59e+06) Model 1 Missing interactions: 0.346 (755/2184) weighted: 0.067 (4.11e+05/6.14e+06) <3: 0.00376 (1/266) <3w: 0.00386 (1.01e+04/2.62e+06) Model 2 Missing interactions: 0.346 (744/2153) weighted: 0.0721 (4.36e+05/6.05e+06) <3: 0.00376 (1/266) <3w: 0.00387 (1.01e+04/2.62e+06) Model 3 Missing interactions: 0.342 (741/2164) weighted: 0.0685 (4.11e+05/5.99e+06) <3: 0.00377 (1/265) <3w: 0.00413 (1.07e+04/2.59e+06) Model 4 Missing interactions: 0.357 (789/2212) weighted: 0.0689 (4.22e+05/6.12e+06) <3: 0.00372 (1/269) <3w: 0.00388 (1.01e+04/2.61e+06) Model 5 Missing interactions: 0.349 (750/2149) weighted: 0.0643 (3.83e+05/5.96e+06) <3: 0.00377 (1/265) <3w: 0.00405 (1.04e+04/2.57e+06) Model 6 Missing interactions: 0.355 (792/2228) weighted: 0.0943 (5.97e+05/6.33e+06) <3: 0.00373 (1/268) <3w: 0.00394 (1.04e+04/2.64e+06) Model 7 Missing interactions: 0.343 (734/2142) weighted: 0.0791 (4.83e+05/6.11e+06) <3: 0.00377 (1/265) <3w: 0.00387 (1.01e+04/2.62e+06) Model 8 Missing interactions: 0.341 (751/2202) weighted: 0.0796 (4.84e+05/6.08e+06) <3: 0.00377 (1/265) <3w: 0.00405 (1.07e+04/2.64e+06) Model 9 Missing interactions: 0.351 (766/2182) weighted: 0.0808 (4.88e+05/6.04e+06) <3: 0.00375 (1/267) <3w: 0.00415 (1.07e+04/2.58e+06) Model 10 Missing interactions: 0.35 (767/2191) weighted: 0.0765 (4.64e+05/6.07e+06) <3: 0.00375 (1/267) <3w: 0.00412 (1.07e+04/2.6e+06) Model 11 Missing interactions: 0.349 (779/2232) weighted: 0.0787 (4.84e+05/6.15e+06) <3: 0.00376 (1/266) <3w: 0.00407 (1.07e+04/2.63e+06) Model 12 Missing interactions: 0.36 (806/2239) weighted: 0.0743 (4.5e+05/6.05e+06) <3: 0.00373 (1/268) <3w: 0.00393 (1.01e+04/2.57e+06) Model 13 Missing interactions: 0.352 (769/2187) weighted: 0.0814 (4.98e+05/6.12e+06) <3: 0.00375 (1/267) <3w: 0.00412 (1.07e+04/2.6e+06) Model 14 Missing interactions: 0.355 (776/2187) weighted: 0.0731 (4.42e+05/6.05e+06) <3: 0.00375 (1/267) <3w: 0.00387 (1.01e+04/2.61e+06) Model 15 Missing interactions: 0.351 (768/2191) weighted: 0.0805 (4.97e+05/6.17e+06) <3: 0.00375 (1/267) <3w: 0.00379 (1.01e+04/2.67e+06) Model 16 Missing interactions: 0.355 (779/2196) weighted: 0.0729 (4.39e+05/6.03e+06) <3: 0.00373 (1/268) <3w: 0.00384 (1.01e+04/2.63e+06) Model 17 Missing interactions: 0.352 (763/2168) weighted: 0.0777 (4.79e+05/6.17e+06) <3: 0.00375 (1/267) <3w: 0.00389 (1.01e+04/2.6e+06) Model 18 Missing interactions: 0.344 (738/2145) weighted: 0.0718 (4.35e+05/6.05e+06) <3: 0.00377 (1/265) <3w: 0.00405 (1.04e+04/2.57e+06) Model 19 Missing interactions: 0.351 (760/2168) weighted: 0.0637 (3.87e+05/6.08e+06) <3: 0.00376 (1/266) <3w: 0.00402 (1.04e+04/2.59e+06) Model 20 Missing interactions: 0.353 (775/2198) weighted: 0.0714 (4.29e+05/6.01e+06) <3: 0.00375 (1/267) <3w: 0.00388 (1.01e+04/2.61e+06) Model ave Recall: 0.991 Precision: all: 0.675 allw: 0.945 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.803 F-measure:(Recall,PrecisionW) 0.968 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.989 Precision: all: 0.654 allw: 0.933 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.788 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 2 Recall: 0.989 Precision: all: 0.654 allw: 0.928 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.788 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 3 Recall: 0.986 Precision: all: 0.658 allw: 0.931 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.789 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 4 Recall: 0.988 Precision: all: 0.643 allw: 0.931 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 5 Recall: 0.988 Precision: all: 0.651 allw: 0.936 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 6 Recall: 0.991 Precision: all: 0.645 allw: 0.906 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 7 Recall: 0.987 Precision: all: 0.657 allw: 0.921 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.789 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 8 Recall: 0.988 Precision: all: 0.659 allw: 0.92 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.791 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 9 Recall: 0.988 Precision: all: 0.649 allw: 0.919 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.783 F-measure:(Recall,PrecisionW) 0.952 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 10 Recall: 0.991 Precision: all: 0.65 allw: 0.924 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 11 Recall: 0.988 Precision: all: 0.651 allw: 0.921 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 12 Recall: 0.988 Precision: all: 0.64 allw: 0.926 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 13 Recall: 0.99 Precision: all: 0.648 allw: 0.919 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.784 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 14 Recall: 0.99 Precision: all: 0.645 allw: 0.927 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 15 Recall: 0.992 Precision: all: 0.649 allw: 0.92 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 16 Recall: 0.991 Precision: all: 0.645 allw: 0.927 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 17 Recall: 0.991 Precision: all: 0.648 allw: 0.922 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.784 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 18 Recall: 0.986 Precision: all: 0.656 allw: 0.928 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.788 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 19 Recall: 0.993 Precision: all: 0.649 allw: 0.936 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.964 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 20 Recall: 0.989 Precision: all: 0.647 allw: 0.929 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.783 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 For freely-rotating-chain model: Model ave Inconsistent score: 0.266(526/1974) Model ave Missing interactions: 0.215 (192/895) weighted: 0.0521 (3.26e+04/6.24e+05) <3: 0.00379 (1/264) <3w: 0.00217 (929/4.28e+05) Recall: 0.734 Precision: all: 0.785 allw: 0.948 F-measure:(RecallFree,PrecisionFree) 0.759 F-measure:(ReallFree,PrecisionFreeW) 0.827 Final M-score 0.0105 4/381 Model ave Final Recall-score for input query structures: 0.992 Final Precision-score for input query structures: 0.945 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.968 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.827 Model 1 Final Recall-score for input query structures: 0.989 Final Precision-score for input query structures: 0.932 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.959 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.775 Model 2 Final Recall-score for input query structures: 0.989 Final Precision-score for input query structures: 0.927 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.957 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.763 Model 3 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.931 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.958 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.769 Model 4 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.926 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.956 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.757 Model 5 Final Recall-score for input query structures: 0.989 Final Precision-score for input query structures: 0.935 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.961 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.786 Model 6 Final Recall-score for input query structures: 0.991 Final Precision-score for input query structures: 0.906 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.946 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.699 Model 7 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.919 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.952 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.734 Model 8 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.918 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.952 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.734 Model 9 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.918 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.952 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.734 Model 10 Final Recall-score for input query structures: 0.992 Final Precision-score for input query structures: 0.919 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.954 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.746 Model 11 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.921 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.953 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.74 Model 12 Final Recall-score for input query structures: 0.989 Final Precision-score for input query structures: 0.919 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.953 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.74 Model 13 Final Recall-score for input query structures: 0.99 Final Precision-score for input query structures: 0.918 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.952 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.734 Model 14 Final Recall-score for input query structures: 0.99 Final Precision-score for input query structures: 0.927 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.957 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.763 Model 15 Final Recall-score for input query structures: 0.992 Final Precision-score for input query structures: 0.919 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.954 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.746 Model 16 Final Recall-score for input query structures: 0.992 Final Precision-score for input query structures: 0.926 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.958 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.769 Model 17 Final Recall-score for input query structures: 0.991 Final Precision-score for input query structures: 0.92 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.954 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.746 Model 18 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.926 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.955 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.751 Model 19 Final Recall-score for input query structures: 0.993 Final Precision-score for input query structures: 0.936 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.963 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.798 Model 20 Final Recall-score for input query structures: 0.989 Final Precision-score for input query structures: 0.926 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.996 Final Recall-score for freely-rotating-chain model: 0.73 Final Precision-score for freely-rotating-chain model: 0.948 Summary: F-score of input query structures: 0.956 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.757 Statistics: =========== NOESY_Assign: User CPU Time: 20.3 sec. Syst CPU Time: 0.41 sec. Other Processes: User CPU Time: 0.29 sec. Syst CPU Time: 0.03 sec. Total Elapsed Time: 21.1 sec.