# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 18:10:59 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SR384_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SR384_NMR_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: 0.0286(1/35) Model 1 Inconsistent score: 0.0286(1/35) Model 2 Inconsistent score: 0.0286(1/35) Model 3 Inconsistent score: 0(0/35) Model 4 Inconsistent score: 0.0286(1/35) Model 5 Inconsistent score: 0.0286(1/35) Model 6 Inconsistent score: 0.0571(2/35) Model 7 Inconsistent score: 0.0286(1/35) Model 8 Inconsistent score: 0.0286(1/35) Model 9 Inconsistent score: 0.0286(1/35) Model 10 Inconsistent score: 0.0286(1/35) Model 11 Inconsistent score: 0.0286(1/35) Model 12 Inconsistent score: 0.0286(1/35) Model 13 Inconsistent score: 0(0/35) Model 14 Inconsistent score: 0.0286(1/35) Model 15 Inconsistent score: 0.0286(1/35) Model 16 Inconsistent score: 0.0286(1/35) 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: 0.0857(3/35) Model ave Missing interactions: 0.383 (18/47) weighted: 0.0732 (3e+03/4.1e+04) <3: nan (0/0) <3w: nan (0/0) Model 1 Missing interactions: 0.434 (23/53) weighted: 0.0531 (4.89e+03/9.22e+04) <3: nan (0/0) <3w: nan (0/0) Model 2 Missing interactions: 0.436 (24/55) weighted: 0.151 (1.51e+04/9.98e+04) <3: nan (0/0) <3w: nan (0/0) Model 3 Missing interactions: 0.5 (35/70) weighted: 0.43 (5.13e+04/1.19e+05) <3: nan (0/0) <3w: nan (0/0) Model 4 Missing interactions: 0.4 (20/50) weighted: 0.0589 (4.75e+03/8.07e+04) <3: nan (0/0) <3w: nan (0/0) Model 5 Missing interactions: 0.434 (23/53) weighted: 0.135 (7.92e+03/5.87e+04) <3: nan (0/0) <3w: nan (0/0) Model 6 Missing interactions: 0.44 (22/50) weighted: 0.142 (7.99e+03/5.62e+04) <3: nan (0/0) <3w: nan (0/0) Model 7 Missing interactions: 0.464 (26/56) weighted: 0.354 (2.66e+04/7.5e+04) <3: nan (0/0) <3w: nan (0/0) Model 8 Missing interactions: 0.516 (32/62) weighted: 0.248 (2.4e+04/9.71e+04) <3: nan (0/0) <3w: nan (0/0) Model 9 Missing interactions: 0.483 (29/60) weighted: 0.205 (1.23e+04/6e+04) <3: nan (0/0) <3w: nan (0/0) Model 10 Missing interactions: 0.484 (30/62) weighted: 0.443 (4.01e+04/9.03e+04) <3: nan (0/0) <3w: nan (0/0) Model 11 Missing interactions: 0.392 (20/51) weighted: 0.343 (2.31e+04/6.72e+04) <3: nan (0/0) <3w: nan (0/0) Model 12 Missing interactions: 0.326 (15/46) weighted: 0.0832 (3.5e+03/4.21e+04) <3: nan (0/0) <3w: nan (0/0) Model 13 Missing interactions: 0.362 (17/47) weighted: 0.0449 (4.47e+03/9.97e+04) <3: nan (0/0) <3w: nan (0/0) Model 14 Missing interactions: 0.383 (18/47) weighted: 0.06 (3.97e+03/6.62e+04) <3: nan (0/0) <3w: nan (0/0) Model 15 Missing interactions: 0.508 (32/63) weighted: 0.37 (3.44e+04/9.3e+04) <3: nan (0/0) <3w: nan (0/0) Model 16 Missing interactions: 0.423 (22/52) weighted: 0.352 (3.5e+04/9.96e+04) <3: nan (0/0) <3w: nan (0/0) Model 17 Missing interactions: 0.429 (24/56) weighted: 0.161 (1.1e+04/6.84e+04) <3: nan (0/0) <3w: nan (0/0) Model 18 Missing interactions: 0.446 (25/56) weighted: 0.14 (1.16e+04/8.34e+04) <3: nan (0/0) <3w: nan (0/0) Model 19 Missing interactions: 0.396 (19/48) weighted: 0.146 (1.39e+04/9.51e+04) <3: nan (0/0) <3w: nan (0/0) Model 20 Missing interactions: 0.509 (29/57) weighted: 0.191 (1.07e+04/5.62e+04) <3: nan (0/0) <3w: nan (0/0) Model ave Recall: 0.971 Precision: all: 0.617 allw: 0.927 <3: nan <3w: nan F-measure:(Recall,Precision) 0.755 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 1 Recall: 0.971 Precision: all: 0.566 allw: 0.947 <3: nan <3w: nan F-measure:(Recall,Precision) 0.715 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 2 Recall: 0.971 Precision: all: 0.564 allw: 0.849 <3: nan <3w: nan F-measure:(Recall,Precision) 0.713 F-measure:(Recall,PrecisionW) 0.906 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 3 Recall: 1 Precision: all: 0.5 allw: 0.57 <3: nan <3w: nan F-measure:(Recall,Precision) 0.667 F-measure:(Recall,PrecisionW) 0.726 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 4 Recall: 0.971 Precision: all: 0.6 allw: 0.941 <3: nan <3w: nan F-measure:(Recall,Precision) 0.742 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 5 Recall: 0.971 Precision: all: 0.566 allw: 0.865 <3: nan <3w: nan F-measure:(Recall,Precision) 0.715 F-measure:(Recall,PrecisionW) 0.915 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 6 Recall: 0.943 Precision: all: 0.56 allw: 0.858 <3: nan <3w: nan F-measure:(Recall,Precision) 0.703 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 7 Recall: 0.971 Precision: all: 0.536 allw: 0.646 <3: nan <3w: nan F-measure:(Recall,Precision) 0.691 F-measure:(Recall,PrecisionW) 0.776 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 8 Recall: 0.971 Precision: all: 0.484 allw: 0.752 <3: nan <3w: nan F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 9 Recall: 0.971 Precision: all: 0.517 allw: 0.795 <3: nan <3w: nan F-measure:(Recall,Precision) 0.675 F-measure:(Recall,PrecisionW) 0.874 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 10 Recall: 0.971 Precision: all: 0.516 allw: 0.557 <3: nan <3w: nan F-measure:(Recall,Precision) 0.674 F-measure:(Recall,PrecisionW) 0.708 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 11 Recall: 0.971 Precision: all: 0.608 allw: 0.657 <3: nan <3w: nan F-measure:(Recall,Precision) 0.748 F-measure:(Recall,PrecisionW) 0.784 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 12 Recall: 0.971 Precision: all: 0.674 allw: 0.917 <3: nan <3w: nan F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 13 Recall: 1 Precision: all: 0.638 allw: 0.955 <3: nan <3w: nan F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.977 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 14 Recall: 0.971 Precision: all: 0.617 allw: 0.94 <3: nan <3w: nan F-measure:(Recall,Precision) 0.755 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 15 Recall: 0.971 Precision: all: 0.492 allw: 0.63 <3: nan <3w: nan F-measure:(Recall,Precision) 0.653 F-measure:(Recall,PrecisionW) 0.765 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 16 Recall: 0.971 Precision: all: 0.577 allw: 0.648 <3: nan <3w: nan F-measure:(Recall,Precision) 0.724 F-measure:(Recall,PrecisionW) 0.777 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 17 Recall: 1 Precision: all: 0.571 allw: 0.839 <3: nan <3w: nan F-measure:(Recall,Precision) 0.727 F-measure:(Recall,PrecisionW) 0.912 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 18 Recall: 1 Precision: all: 0.554 allw: 0.86 <3: nan <3w: nan F-measure:(Recall,Precision) 0.713 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 19 Recall: 1 Precision: all: 0.604 allw: 0.854 <3: nan <3w: nan F-measure:(Recall,Precision) 0.753 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) nan F-measure:(0,PrecisionIdealW) nan Model 20 Recall: 0.914 Precision: all: 0.491 allw: 0.809 <3: nan <3w: nan F-measure:(Recall,Precision) 0.639 F-measure:(Recall,PrecisionW) 0.858 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: 0.00709(14/1974) Model 1 Inconsistent score: 0.00811(16/1974) Model 2 Inconsistent score: 0.00912(18/1974) Model 3 Inconsistent score: 0.00861(17/1974) Model 4 Inconsistent score: 0.0111(22/1974) Model 5 Inconsistent score: 0.00811(16/1974) Model 6 Inconsistent score: 0.00709(14/1974) Model 7 Inconsistent score: 0.00811(16/1974) Model 8 Inconsistent score: 0.00709(14/1974) Model 9 Inconsistent score: 0.0101(20/1974) Model 10 Inconsistent score: 0.00507(10/1974) Model 11 Inconsistent score: 0.00659(13/1974) Model 12 Inconsistent score: 0.00861(17/1974) Model 13 Inconsistent score: 0.00912(18/1974) Model 14 Inconsistent score: 0.0076(15/1974) Model 15 Inconsistent score: 0.00861(17/1974) Model 16 Inconsistent score: 0.0076(15/1974) Model 17 Inconsistent score: 0.00608(12/1974) Model 18 Inconsistent score: 0.00709(14/1974) Model 19 Inconsistent score: 0.00709(14/1974) Model 20 Inconsistent score: 0.00963(19/1974) Model ave Missing interactions: 0.334 (697/2089) weighted: 0.0539 (2.9e+05/5.39e+06) <3: 0.00373 (1/268) <3w: 0.00413 (1.09e+04/2.63e+06) Model 1 Missing interactions: 0.358 (800/2235) weighted: 0.094 (6.03e+05/6.42e+06) <3: 0.0037 (1/270) <3w: 0.00402 (1.07e+04/2.66e+06) Model 2 Missing interactions: 0.35 (763/2177) weighted: 0.0742 (4.61e+05/6.22e+06) <3: 0.00372 (1/269) <3w: 0.00421 (1.1e+04/2.61e+06) Model 3 Missing interactions: 0.356 (791/2221) weighted: 0.0696 (4.41e+05/6.33e+06) <3: 0.0037 (1/270) <3w: 0.00416 (1.1e+04/2.65e+06) Model 4 Missing interactions: 0.348 (770/2215) weighted: 0.0709 (4.44e+05/6.27e+06) <3: 0.00372 (1/269) <3w: 0.00409 (1.07e+04/2.62e+06) Model 5 Missing interactions: 0.354 (798/2256) weighted: 0.0764 (4.83e+05/6.32e+06) <3: 0.0037 (1/270) <3w: 0.00412 (1.1e+04/2.68e+06) Model 6 Missing interactions: 0.355 (782/2204) weighted: 0.0775 (4.86e+05/6.27e+06) <3: 0.00375 (1/267) <3w: 0.00407 (1.07e+04/2.63e+06) Model 7 Missing interactions: 0.341 (742/2175) weighted: 0.0784 (4.95e+05/6.31e+06) <3: 0.00375 (1/267) <3w: 0.00412 (1.07e+04/2.6e+06) Model 8 Missing interactions: 0.346 (773/2232) weighted: 0.0802 (5.14e+05/6.42e+06) <3: 0.00372 (1/269) <3w: 0.00423 (1.1e+04/2.6e+06) Model 9 Missing interactions: 0.353 (772/2184) weighted: 0.0606 (3.86e+05/6.36e+06) <3: 0.00373 (1/268) <3w: 0.00397 (1.07e+04/2.7e+06) Model 10 Missing interactions: 0.357 (804/2253) weighted: 0.101 (6.53e+05/6.49e+06) <3: 0.00372 (1/269) <3w: 0.00398 (1.07e+04/2.69e+06) Model 11 Missing interactions: 0.348 (764/2197) weighted: 0.0846 (5.33e+05/6.3e+06) <3: 0.00373 (1/268) <3w: 0.00409 (1.07e+04/2.62e+06) Model 12 Missing interactions: 0.344 (735/2139) weighted: 0.0818 (5.08e+05/6.21e+06) <3: 0.00375 (1/267) <3w: 0.00405 (1.07e+04/2.65e+06) Model 13 Missing interactions: 0.348 (755/2171) weighted: 0.0821 (5.15e+05/6.27e+06) <3: 0.00373 (1/268) <3w: 0.00402 (1.07e+04/2.67e+06) Model 14 Missing interactions: 0.349 (760/2177) weighted: 0.101 (6.57e+05/6.49e+06) <3: 0.00373 (1/268) <3w: 0.00401 (1.07e+04/2.67e+06) Model 15 Missing interactions: 0.356 (789/2215) weighted: 0.0871 (5.42e+05/6.22e+06) <3: 0.00373 (1/268) <3w: 0.00405 (1.07e+04/2.64e+06) Model 16 Missing interactions: 0.354 (774/2188) weighted: 0.0886 (5.74e+05/6.47e+06) <3: 0.00372 (1/269) <3w: 0.00403 (1.07e+04/2.66e+06) Model 17 Missing interactions: 0.353 (793/2245) weighted: 0.0783 (5.13e+05/6.56e+06) <3: 0.00372 (1/269) <3w: 0.00413 (1.07e+04/2.59e+06) Model 18 Missing interactions: 0.351 (776/2210) weighted: 0.0868 (5.45e+05/6.28e+06) <3: 0.00372 (1/269) <3w: 0.00399 (1.07e+04/2.68e+06) Model 19 Missing interactions: 0.346 (753/2179) weighted: 0.0977 (6.06e+05/6.2e+06) <3: 0.00373 (1/268) <3w: 0.00402 (1.07e+04/2.66e+06) Model 20 Missing interactions: 0.356 (798/2239) weighted: 0.0837 (5.36e+05/6.4e+06) <3: 0.00372 (1/269) <3w: 0.00407 (1.07e+04/2.63e+06) Model ave Recall: 0.993 Precision: all: 0.666 allw: 0.946 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.969 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.992 Precision: all: 0.642 allw: 0.906 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 2 Recall: 0.991 Precision: all: 0.65 allw: 0.926 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 3 Recall: 0.991 Precision: all: 0.644 allw: 0.93 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 4 Recall: 0.989 Precision: all: 0.652 allw: 0.929 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.786 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 5 Recall: 0.992 Precision: all: 0.646 allw: 0.924 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.783 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 6 Recall: 0.993 Precision: all: 0.645 allw: 0.922 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 7 Recall: 0.992 Precision: all: 0.659 allw: 0.922 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.792 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 8 Recall: 0.993 Precision: all: 0.654 allw: 0.92 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.788 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 9 Recall: 0.99 Precision: all: 0.647 allw: 0.939 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.964 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 10 Recall: 0.995 Precision: all: 0.643 allw: 0.899 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 11 Recall: 0.993 Precision: all: 0.652 allw: 0.915 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.787 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 12 Recall: 0.991 Precision: all: 0.656 allw: 0.918 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.79 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 13 Recall: 0.991 Precision: all: 0.652 allw: 0.918 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.787 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 14 Recall: 0.992 Precision: all: 0.651 allw: 0.899 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.786 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 15 Recall: 0.991 Precision: all: 0.644 allw: 0.913 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 16 Recall: 0.992 Precision: all: 0.646 allw: 0.911 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.783 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 17 Recall: 0.994 Precision: all: 0.647 allw: 0.922 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.784 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 18 Recall: 0.993 Precision: all: 0.649 allw: 0.913 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 19 Recall: 0.993 Precision: all: 0.654 allw: 0.902 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.789 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.998 Model 20 Recall: 0.99 Precision: all: 0.644 allw: 0.916 <3: 0.996 <3w: 0.996 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.952 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: 0.993 Final Precision-score for input query structures: 0.946 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: 0.969 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.832 Model 1 Final Recall-score for input query structures: 0.992 Final Precision-score for input query structures: 0.907 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: 0.947 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.705 Model 2 Final Recall-score for input query structures: 0.991 Final Precision-score for input query structures: 0.925 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 3 Final Recall-score for input query structures: 0.992 Final Precision-score for input query structures: 0.924 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 4 Final Recall-score for input query structures: 0.989 Final Precision-score for input query structures: 0.929 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 5 Final Recall-score for input query structures: 0.992 Final Precision-score for input query structures: 0.923 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 6 Final Recall-score for input query structures: 0.992 Final Precision-score for input query structures: 0.922 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 7 Final Recall-score for input query structures: 0.992 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: 0.954 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.746 Model 8 Final Recall-score for input query structures: 0.993 Final Precision-score for input query structures: 0.917 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 9 Final Recall-score for input query structures: 0.99 Final Precision-score for input query structures: 0.938 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 10 Final Recall-score for input query structures: 0.995 Final Precision-score for input query structures: 0.895 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: 0.942 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.676 Model 11 Final Recall-score for input query structures: 0.993 Final Precision-score for input query structures: 0.913 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: 0.951 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.728 Model 12 Final Recall-score for input query structures: 0.991 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: 0.953 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: 0.991 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: 0.953 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.74 Model 14 Final Recall-score for input query structures: 0.992 Final Precision-score for input query structures: 0.899 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: 0.943 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.682 Model 15 Final Recall-score for input query structures: 0.991 Final Precision-score for input query structures: 0.909 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: 0.948 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.711 Model 16 Final Recall-score for input query structures: 0.992 Final Precision-score for input query structures: 0.907 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: 0.948 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.711 Model 17 Final Recall-score for input query structures: 0.994 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: 0.956 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.757 Model 18 Final Recall-score for input query structures: 0.993 Final Precision-score for input query structures: 0.913 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: 0.951 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.728 Model 19 Final Recall-score for input query structures: 0.993 Final Precision-score for input query structures: 0.902 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: 0.945 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.694 Model 20 Final Recall-score for input query structures: 0.989 Final Precision-score for input query structures: 0.915 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: 0.951 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.825 DP-Score: 0.728 Statistics: =========== NOESY_Assign: User CPU Time: 20.3 sec. Syst CPU Time: 0.4 sec. Other Processes: User CPU Time: 0.3 sec. Syst CPU Time: 0.02 sec. Total Elapsed Time: 21 sec.