# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 07:11:08 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR41_R3_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR41_R3_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 231 Number of peaks NOT matched in the Peak List: 1 M score = 0.0043 Average shift in HX: -5.7e-06 Average ab-shift in HX: 0.0027(Assignment used: 175) Average shift in X: 0.00055 Average ab-shift in X: 0.024(Assignment used: 163) Average shift in HX2: -0.00078 Average ab-shift in HX2: 0.0032(Assignment used: 226) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0901(246/2730) Model 1 Inconsistent score: 0.0722(197/2730) Model 2 Inconsistent score: 0.0689(188/2730) Model 3 Inconsistent score: 0.0722(197/2730) Model 4 Inconsistent score: 0.0784(214/2730) Model 5 Inconsistent score: 0.0696(190/2730) Model 6 Inconsistent score: 0.0689(188/2730) Model 7 Inconsistent score: 0.0733(200/2730) Model 8 Inconsistent score: 0.0711(194/2730) Model 9 Inconsistent score: 0.0696(190/2730) Model 10 Inconsistent score: 0.0678(185/2730) Model 11 Inconsistent score: 0.0722(197/2730) Model 12 Inconsistent score: 0.0714(195/2730) Model 13 Inconsistent score: 0.0733(200/2730) Model 14 Inconsistent score: 0.0703(192/2730) Model 15 Inconsistent score: 0.0744(203/2730) Model 16 Inconsistent score: 0.0689(188/2730) Model 17 Inconsistent score: 0.0744(203/2730) Model 18 Inconsistent score: 0.0685(187/2730) Model 19 Inconsistent score: 0.0791(216/2730) Model 20 Inconsistent score: 0.0707(193/2730) Model ave Missing interactions: 0.214 (508/2371) weighted: 0.0268 (1.5e+05/5.59e+06) <3: 0.0217 (6/276) <3w: 0.00431 (6.73e+03/1.56e+06) Model 1 Missing interactions: 0.272 (738/2715) weighted: 0.0671 (4.67e+05/6.96e+06) <3: 0.00727 (2/275) <3w: 0.00218 (3.57e+03/1.64e+06) Model 2 Missing interactions: 0.267 (734/2750) weighted: 0.0471 (3.35e+05/7.11e+06) <3: 0.0142 (4/282) <3w: 0.00222 (3.56e+03/1.61e+06) Model 3 Missing interactions: 0.275 (753/2735) weighted: 0.063 (4.38e+05/6.95e+06) <3: 0.00355 (1/282) <3w: 0.00916 (1.46e+04/1.6e+06) Model 4 Missing interactions: 0.267 (719/2691) weighted: 0.0572 (4.05e+05/7.09e+06) <3: 0.00712 (2/281) <3w: 0.00918 (1.47e+04/1.6e+06) Model 5 Missing interactions: 0.27 (736/2722) weighted: 0.0554 (3.95e+05/7.12e+06) <3: 0.00714 (2/280) <3w: 0.00211 (3.36e+03/1.59e+06) Model 6 Missing interactions: 0.266 (725/2726) weighted: 0.0534 (3.74e+05/7e+06) <3: 0.00722 (2/277) <3w: 0.00211 (3.43e+03/1.63e+06) Model 7 Missing interactions: 0.266 (722/2716) weighted: 0.0429 (2.97e+05/6.93e+06) <3: 0.00707 (2/283) <3w: 0.00246 (3.96e+03/1.61e+06) Model 8 Missing interactions: 0.268 (733/2733) weighted: 0.0578 (4.12e+05/7.12e+06) <3: 0.00709 (2/282) <3w: 0.00233 (3.8e+03/1.63e+06) Model 9 Missing interactions: 0.273 (749/2746) weighted: 0.0637 (4.58e+05/7.18e+06) <3: 0.0105 (3/287) <3w: 0.00216 (3.5e+03/1.62e+06) Model 10 Missing interactions: 0.269 (736/2732) weighted: 0.0581 (4.07e+05/7e+06) <3: 0.0105 (3/285) <3w: 0.0021 (3.43e+03/1.64e+06) Model 11 Missing interactions: 0.27 (734/2722) weighted: 0.0554 (3.85e+05/6.95e+06) <3: 0.00714 (2/280) <3w: 0.0091 (1.47e+04/1.61e+06) Model 12 Missing interactions: 0.262 (708/2698) weighted: 0.0454 (3.17e+05/6.98e+06) <3: 0.00362 (1/276) <3w: 0.00193 (3.1e+03/1.6e+06) Model 13 Missing interactions: 0.264 (724/2738) weighted: 0.0574 (4.11e+05/7.15e+06) <3: 0.0141 (4/284) <3w: 0.00218 (3.49e+03/1.6e+06) Model 14 Missing interactions: 0.28 (778/2781) weighted: 0.051 (3.57e+05/7e+06) <3: 0.0176 (5/284) <3w: 0.00221 (3.63e+03/1.64e+06) Model 15 Missing interactions: 0.265 (723/2726) weighted: 0.0619 (4.28e+05/6.91e+06) <3: 0.00704 (2/284) <3w: 0.00278 (4.49e+03/1.62e+06) Model 16 Missing interactions: 0.276 (761/2760) weighted: 0.0737 (5.19e+05/7.04e+06) <3: 0.00356 (1/281) <3w: 0.00245 (4.06e+03/1.66e+06) Model 17 Missing interactions: 0.271 (729/2691) weighted: 0.0592 (4.17e+05/7.04e+06) <3: 0.0103 (3/290) <3w: 0.00297 (4.76e+03/1.6e+06) Model 18 Missing interactions: 0.265 (716/2706) weighted: 0.0481 (3.38e+05/7.04e+06) <3: 0.00722 (2/277) <3w: 0.00218 (3.5e+03/1.61e+06) Model 19 Missing interactions: 0.259 (689/2657) weighted: 0.0697 (5e+05/7.18e+06) <3: 0.00348 (1/287) <3w: 0.00226 (3.58e+03/1.58e+06) Model 20 Missing interactions: 0.277 (775/2797) weighted: 0.0542 (3.8e+05/7e+06) <3: 0.00719 (2/278) <3w: 0.00219 (3.43e+03/1.57e+06) Model ave Recall: 0.91 Precision: all: 0.786 allw: 0.973 <3: 0.978 <3w: 0.996 F-measure:(Recall,Precision) 0.843 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.928 Precision: all: 0.728 allw: 0.933 <3: 0.993 <3w: 0.998 F-measure:(Recall,Precision) 0.816 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 2 Recall: 0.931 Precision: all: 0.733 allw: 0.953 <3: 0.986 <3w: 0.998 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 3 Recall: 0.928 Precision: all: 0.725 allw: 0.937 <3: 0.996 <3w: 0.991 F-measure:(Recall,Precision) 0.814 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.995 Model 4 Recall: 0.922 Precision: all: 0.733 allw: 0.943 <3: 0.993 <3w: 0.991 F-measure:(Recall,Precision) 0.816 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.995 Model 5 Recall: 0.93 Precision: all: 0.73 allw: 0.945 <3: 0.993 <3w: 0.998 F-measure:(Recall,Precision) 0.818 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 6 Recall: 0.931 Precision: all: 0.734 allw: 0.947 <3: 0.993 <3w: 0.998 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 7 Recall: 0.927 Precision: all: 0.734 allw: 0.957 <3: 0.993 <3w: 0.998 F-measure:(Recall,Precision) 0.819 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 8 Recall: 0.929 Precision: all: 0.732 allw: 0.942 <3: 0.993 <3w: 0.998 F-measure:(Recall,Precision) 0.819 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 9 Recall: 0.93 Precision: all: 0.727 allw: 0.936 <3: 0.99 <3w: 0.998 F-measure:(Recall,Precision) 0.816 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 0.999 Model 10 Recall: 0.932 Precision: all: 0.731 allw: 0.942 <3: 0.989 <3w: 0.998 F-measure:(Recall,Precision) 0.819 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 0.999 Model 11 Recall: 0.928 Precision: all: 0.73 allw: 0.945 <3: 0.993 <3w: 0.991 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.995 Model 12 Recall: 0.929 Precision: all: 0.738 allw: 0.955 <3: 0.996 <3w: 0.998 F-measure:(Recall,Precision) 0.822 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 13 Recall: 0.927 Precision: all: 0.736 allw: 0.943 <3: 0.986 <3w: 0.998 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 14 Recall: 0.93 Precision: all: 0.72 allw: 0.949 <3: 0.982 <3w: 0.998 F-measure:(Recall,Precision) 0.812 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.991 F-measure:(0,PrecisionIdealW) 0.999 Model 15 Recall: 0.926 Precision: all: 0.735 allw: 0.938 <3: 0.993 <3w: 0.997 F-measure:(Recall,Precision) 0.819 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 16 Recall: 0.931 Precision: all: 0.724 allw: 0.926 <3: 0.996 <3w: 0.998 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 17 Recall: 0.926 Precision: all: 0.729 allw: 0.941 <3: 0.99 <3w: 0.997 F-measure:(Recall,Precision) 0.816 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 0.999 Model 18 Recall: 0.932 Precision: all: 0.735 allw: 0.952 <3: 0.993 <3w: 0.998 F-measure:(Recall,Precision) 0.822 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 19 Recall: 0.921 Precision: all: 0.741 allw: 0.93 <3: 0.997 <3w: 0.998 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 20 Recall: 0.929 Precision: all: 0.723 allw: 0.946 <3: 0.993 <3w: 0.998 F-measure:(Recall,Precision) 0.813 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 For freely-rotating-chain model: Model ave Inconsistent score: 0.363(990/2730) Model ave Missing interactions: 0.107 (138/1284) weighted: 0.0545 (4.22e+04/7.73e+05) <3: 0.0524 (14/267) <3w: 0.0491 (2.2e+04/4.47e+05) Recall: 0.637 Precision: all: 0.893 allw: 0.945 F-measure:(RecallFree,PrecisionFree) 0.744 F-measure:(ReallFree,PrecisionFreeW) 0.761 # Summary for c.peaks Total simulated peaks: 1327 Number of peaks NOT matched in the Peak List: 12 M score = 0.009 Average shift in HX: -0.00045 Average ab-shift in HX: 0.0026(Assignment used: 676) Average shift in X: 0.002 Average ab-shift in X: 0.024(Assignment used: 527) Average shift in HX2: -0.00045 Average ab-shift in HX2: 0.0028(Assignment used: 813) #For peaklist c.peaks: Rmax: 5 Model ave Inconsistent score: 0.0766(618/8073) Model 1 Inconsistent score: 0.0526(425/8073) Model 2 Inconsistent score: 0.0531(429/8073) Model 3 Inconsistent score: 0.0513(414/8073) Model 4 Inconsistent score: 0.0637(514/8073) Model 5 Inconsistent score: 0.0606(489/8073) Model 6 Inconsistent score: 0.0554(447/8073) Model 7 Inconsistent score: 0.0486(392/8073) Model 8 Inconsistent score: 0.0638(515/8073) Model 9 Inconsistent score: 0.0441(356/8073) Model 10 Inconsistent score: 0.0447(361/8073) Model 11 Inconsistent score: 0.0577(466/8073) Model 12 Inconsistent score: 0.05(404/8073) Model 13 Inconsistent score: 0.0503(406/8073) Model 14 Inconsistent score: 0.0458(370/8073) Model 15 Inconsistent score: 0.0529(427/8073) Model 16 Inconsistent score: 0.0543(438/8073) Model 17 Inconsistent score: 0.0598(483/8073) Model 18 Inconsistent score: 0.0504(407/8073) Model 19 Inconsistent score: 0.06(484/8073) Model 20 Inconsistent score: 0.0505(408/8073) Model ave Missing interactions: 0.364 (2.8e+03/7709) weighted: 0.0429 (8.6e+05/2e+07) <3: 0.0296 (33/1115) <3w: 0.00353 (4.54e+04/1.29e+07) Model 1 Missing interactions: 0.426 (4.02e+03/9426) weighted: 0.105 (2.83e+06/2.7e+07) <3: 0.0243 (27/1110) <3w: 0.00376 (4.95e+04/1.32e+07) Model 2 Missing interactions: 0.424 (3.98e+03/9398) weighted: 0.107 (2.89e+06/2.7e+07) <3: 0.0259 (29/1118) <3w: 0.00293 (3.87e+04/1.32e+07) Model 3 Missing interactions: 0.43 (4.02e+03/9357) weighted: 0.103 (2.75e+06/2.68e+07) <3: 0.025 (28/1121) <3w: 0.00382 (5.03e+04/1.32e+07) Model 4 Missing interactions: 0.434 (4.17e+03/9621) weighted: 0.127 (3.55e+06/2.8e+07) <3: 0.0242 (27/1118) <3w: 0.0039 (5.15e+04/1.32e+07) Model 5 Missing interactions: 0.434 (4.11e+03/9474) weighted: 0.113 (3.04e+06/2.7e+07) <3: 0.0242 (27/1117) <3w: 0.0029 (3.8e+04/1.31e+07) Model 6 Missing interactions: 0.428 (4e+03/9362) weighted: 0.103 (2.79e+06/2.71e+07) <3: 0.0242 (27/1114) <3w: 0.00302 (3.98e+04/1.32e+07) Model 7 Missing interactions: 0.427 (4.1e+03/9583) weighted: 0.106 (2.85e+06/2.7e+07) <3: 0.0241 (27/1122) <3w: 0.00288 (3.82e+04/1.33e+07) Model 8 Missing interactions: 0.431 (4.04e+03/9352) weighted: 0.106 (2.87e+06/2.72e+07) <3: 0.0242 (27/1118) <3w: 0.00379 (5e+04/1.32e+07) Model 9 Missing interactions: 0.429 (4.16e+03/9686) weighted: 0.107 (3e+06/2.81e+07) <3: 0.0249 (28/1126) <3w: 0.00373 (4.93e+04/1.32e+07) Model 10 Missing interactions: 0.427 (4.07e+03/9526) weighted: 0.0969 (2.61e+06/2.69e+07) <3: 0.025 (28/1122) <3w: 0.0031 (4.09e+04/1.32e+07) Model 11 Missing interactions: 0.423 (3.92e+03/9285) weighted: 0.0992 (2.68e+06/2.7e+07) <3: 0.0242 (27/1116) <3w: 0.00382 (5.02e+04/1.31e+07) Model 12 Missing interactions: 0.423 (3.95e+03/9351) weighted: 0.103 (2.78e+06/2.71e+07) <3: 0.0234 (26/1113) <3w: 0.00285 (3.79e+04/1.33e+07) Model 13 Missing interactions: 0.43 (4.15e+03/9638) weighted: 0.107 (2.94e+06/2.75e+07) <3: 0.0259 (29/1121) <3w: 0.00294 (3.9e+04/1.33e+07) Model 14 Missing interactions: 0.437 (4.28e+03/9790) weighted: 0.114 (3.2e+06/2.81e+07) <3: 0.0268 (30/1121) <3w: 0.00283 (3.75e+04/1.32e+07) Model 15 Missing interactions: 0.426 (4.04e+03/9469) weighted: 0.107 (2.94e+06/2.75e+07) <3: 0.0258 (29/1123) <3w: 0.00396 (5.26e+04/1.33e+07) Model 16 Missing interactions: 0.429 (4.08e+03/9501) weighted: 0.114 (3.12e+06/2.74e+07) <3: 0.0233 (26/1118) <3w: 0.00282 (3.73e+04/1.32e+07) Model 17 Missing interactions: 0.431 (4.11e+03/9549) weighted: 0.11 (3.03e+06/2.75e+07) <3: 0.0258 (29/1126) <3w: 0.00312 (4.11e+04/1.31e+07) Model 18 Missing interactions: 0.423 (3.99e+03/9436) weighted: 0.104 (2.83e+06/2.72e+07) <3: 0.0242 (27/1114) <3w: 0.00292 (3.87e+04/1.33e+07) Model 19 Missing interactions: 0.43 (4.01e+03/9315) weighted: 0.121 (3.34e+06/2.76e+07) <3: 0.0231 (26/1126) <3w: 0.00305 (4.01e+04/1.31e+07) Model 20 Missing interactions: 0.432 (4.15e+03/9598) weighted: 0.103 (2.8e+06/2.7e+07) <3: 0.0242 (27/1115) <3w: 0.00294 (3.85e+04/1.31e+07) Model ave Recall: 0.923 Precision: all: 0.636 allw: 0.957 <3: 0.97 <3w: 0.996 F-measure:(Recall,Precision) 0.753 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.947 Precision: all: 0.574 allw: 0.895 <3: 0.976 <3w: 0.996 F-measure:(Recall,Precision) 0.715 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.998 Model 2 Recall: 0.947 Precision: all: 0.576 allw: 0.893 <3: 0.974 <3w: 0.997 F-measure:(Recall,Precision) 0.716 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.999 Model 3 Recall: 0.949 Precision: all: 0.57 allw: 0.897 <3: 0.975 <3w: 0.996 F-measure:(Recall,Precision) 0.712 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.998 Model 4 Recall: 0.936 Precision: all: 0.566 allw: 0.873 <3: 0.976 <3w: 0.996 F-measure:(Recall,Precision) 0.706 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.998 Model 5 Recall: 0.939 Precision: all: 0.566 allw: 0.887 <3: 0.976 <3w: 0.997 F-measure:(Recall,Precision) 0.706 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.999 Model 6 Recall: 0.945 Precision: all: 0.572 allw: 0.897 <3: 0.976 <3w: 0.997 F-measure:(Recall,Precision) 0.713 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.998 Model 7 Recall: 0.951 Precision: all: 0.573 allw: 0.894 <3: 0.976 <3w: 0.997 F-measure:(Recall,Precision) 0.715 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.999 Model 8 Recall: 0.936 Precision: all: 0.569 allw: 0.894 <3: 0.976 <3w: 0.996 F-measure:(Recall,Precision) 0.707 F-measure:(Recall,PrecisionW) 0.915 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.998 Model 9 Recall: 0.956 Precision: all: 0.571 allw: 0.893 <3: 0.975 <3w: 0.996 F-measure:(Recall,Precision) 0.715 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.998 Model 10 Recall: 0.955 Precision: all: 0.573 allw: 0.903 <3: 0.975 <3w: 0.997 F-measure:(Recall,Precision) 0.716 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.998 Model 11 Recall: 0.942 Precision: all: 0.577 allw: 0.901 <3: 0.976 <3w: 0.996 F-measure:(Recall,Precision) 0.716 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.998 Model 12 Recall: 0.95 Precision: all: 0.577 allw: 0.897 <3: 0.977 <3w: 0.997 F-measure:(Recall,Precision) 0.718 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.999 Model 13 Recall: 0.95 Precision: all: 0.57 allw: 0.893 <3: 0.974 <3w: 0.997 F-measure:(Recall,Precision) 0.712 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.999 Model 14 Recall: 0.954 Precision: all: 0.563 allw: 0.886 <3: 0.973 <3w: 0.997 F-measure:(Recall,Precision) 0.708 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.999 Model 15 Recall: 0.947 Precision: all: 0.574 allw: 0.893 <3: 0.974 <3w: 0.996 F-measure:(Recall,Precision) 0.715 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.998 Model 16 Recall: 0.946 Precision: all: 0.571 allw: 0.886 <3: 0.977 <3w: 0.997 F-measure:(Recall,Precision) 0.712 F-measure:(Recall,PrecisionW) 0.915 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.999 Model 17 Recall: 0.94 Precision: all: 0.569 allw: 0.89 <3: 0.974 <3w: 0.997 F-measure:(Recall,Precision) 0.709 F-measure:(Recall,PrecisionW) 0.914 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.998 Model 18 Recall: 0.95 Precision: all: 0.577 allw: 0.896 <3: 0.976 <3w: 0.997 F-measure:(Recall,Precision) 0.718 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.999 Model 19 Recall: 0.94 Precision: all: 0.57 allw: 0.879 <3: 0.977 <3w: 0.997 F-measure:(Recall,Precision) 0.71 F-measure:(Recall,PrecisionW) 0.908 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.998 Model 20 Recall: 0.949 Precision: all: 0.568 allw: 0.897 <3: 0.976 <3w: 0.997 F-measure:(Recall,Precision) 0.711 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.999 For freely-rotating-chain model: Model ave Inconsistent score: 0.402(3248/8073) Model ave Missing interactions: 0.253 (839/3322) weighted: 0.0802 (2.31e+05/2.88e+06) <3: 0.0525 (59/1124) <3w: 0.0427 (9.6e+04/2.25e+06) Recall: 0.598 Precision: all: 0.747 allw: 0.92 F-measure:(RecallFree,PrecisionFree) 0.664 F-measure:(ReallFree,PrecisionFreeW) 0.725 Final M-score 0.00834 13/1.56e+03 Model ave Final Recall-score for input query structures: 0.92 Final Precision-score for input query structures: 0.961 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.94 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.78 Model 1 Final Recall-score for input query structures: 0.942 Final Precision-score for input query structures: 0.903 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.922 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.712 Model 2 Final Recall-score for input query structures: 0.943 Final Precision-score for input query structures: 0.906 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.924 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.717 Model 3 Final Recall-score for input query structures: 0.943 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.924 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.72 Model 4 Final Recall-score for input query structures: 0.933 Final Precision-score for input query structures: 0.887 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.909 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.663 Model 5 Final Recall-score for input query structures: 0.937 Final Precision-score for input query structures: 0.899 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.918 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.694 Model 6 Final Recall-score for input query structures: 0.941 Final Precision-score for input query structures: 0.907 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.924 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.717 Model 7 Final Recall-score for input query structures: 0.945 Final Precision-score for input query structures: 0.907 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.926 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.725 Model 8 Final Recall-score for input query structures: 0.934 Final Precision-score for input query structures: 0.904 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.919 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.701 Model 9 Final Recall-score for input query structures: 0.949 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.925 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.723 Model 10 Final Recall-score for input query structures: 0.949 Final Precision-score for input query structures: 0.911 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.93 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.74 Model 11 Final Recall-score for input query structures: 0.939 Final Precision-score for input query structures: 0.91 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.924 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.72 Model 12 Final Recall-score for input query structures: 0.945 Final Precision-score for input query structures: 0.909 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.926 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.725 Model 13 Final Recall-score for input query structures: 0.944 Final Precision-score for input query structures: 0.903 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.713 Model 14 Final Recall-score for input query structures: 0.948 Final Precision-score for input query structures: 0.899 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.713 Model 15 Final Recall-score for input query structures: 0.942 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.921 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.708 Model 16 Final Recall-score for input query structures: 0.942 Final Precision-score for input query structures: 0.894 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.918 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.694 Model 17 Final Recall-score for input query structures: 0.936 Final Precision-score for input query structures: 0.9 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.918 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.697 Model 18 Final Recall-score for input query structures: 0.945 Final Precision-score for input query structures: 0.907 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.926 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.725 Model 19 Final Recall-score for input query structures: 0.935 Final Precision-score for input query structures: 0.889 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.912 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.672 Model 20 Final Recall-score for input query structures: 0.944 Final Precision-score for input query structures: 0.907 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 Final Recall-score for freely-rotating-chain model: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.925 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.721 Statistics: =========== NOESY_Assign: User CPU Time: 175 sec. Syst CPU Time: 2.94 sec. Other Processes: User CPU Time: 2.18 sec. Syst CPU Time: 0.09 sec. Total Elapsed Time: 180 sec.