# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 07:41:01 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR41_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR41_NMR_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: 0.0608(166/2730) Model 1 Inconsistent score: 0.0615(168/2730) Model 2 Inconsistent score: 0.0593(162/2730) Model 3 Inconsistent score: 0.0597(163/2730) Model 4 Inconsistent score: 0.0568(155/2730) Model 5 Inconsistent score: 0.0641(175/2730) Model 6 Inconsistent score: 0.0685(187/2730) Model 7 Inconsistent score: 0.0656(179/2730) Model 8 Inconsistent score: 0.0623(170/2730) Model 9 Inconsistent score: 0.0656(179/2730) Model 10 Inconsistent score: 0.0571(156/2730) Model 11 Inconsistent score: 0.063(172/2730) Model 12 Inconsistent score: 0.0626(171/2730) Model 13 Inconsistent score: 0.0656(179/2730) Model 14 Inconsistent score: 0.0593(162/2730) Model 15 Inconsistent score: 0.0663(181/2730) Model 16 Inconsistent score: 0.0634(173/2730) Model 17 Inconsistent score: 0.0626(171/2730) Model 18 Inconsistent score: 0.0656(179/2730) Model 19 Inconsistent score: 0.0645(176/2730) Model 20 Inconsistent score: 0.0659(180/2730) Model ave Missing interactions: 0.225 (561/2494) weighted: 0.0282 (1.58e+05/5.58e+06) <3: 0.0218 (6/275) <3w: 0.00425 (6.81e+03/1.6e+06) Model 1 Missing interactions: 0.257 (691/2684) weighted: 0.0481 (3.34e+05/6.94e+06) <3: 0.0215 (6/279) <3w: 0.0022 (3.7e+03/1.68e+06) Model 2 Missing interactions: 0.248 (651/2627) weighted: 0.0449 (3.11e+05/6.93e+06) <3: 0.0214 (6/280) <3w: 0.00214 (3.5e+03/1.63e+06) Model 3 Missing interactions: 0.254 (671/2644) weighted: 0.0508 (3.59e+05/7.08e+06) <3: 0.0213 (6/282) <3w: 0.00905 (1.46e+04/1.61e+06) Model 4 Missing interactions: 0.254 (683/2685) weighted: 0.0499 (3.54e+05/7.1e+06) <3: 0.0213 (6/282) <3w: 0.00231 (3.77e+03/1.63e+06) Model 5 Missing interactions: 0.257 (691/2690) weighted: 0.0418 (2.79e+05/6.69e+06) <3: 0.021 (6/286) <3w: 0.00214 (3.43e+03/1.6e+06) Model 6 Missing interactions: 0.259 (686/2652) weighted: 0.0598 (4.31e+05/7.2e+06) <3: 0.0215 (6/279) <3w: 0.00228 (3.7e+03/1.62e+06) Model 7 Missing interactions: 0.257 (679/2644) weighted: 0.051 (3.56e+05/6.98e+06) <3: 0.0214 (6/281) <3w: 0.00942 (1.53e+04/1.63e+06) Model 8 Missing interactions: 0.254 (678/2666) weighted: 0.0504 (3.48e+05/6.91e+06) <3: 0.0213 (6/282) <3w: 0.00292 (4.76e+03/1.63e+06) Model 9 Missing interactions: 0.249 (650/2607) weighted: 0.0426 (2.93e+05/6.87e+06) <3: 0.0219 (6/274) <3w: 0.00255 (4.15e+03/1.63e+06) Model 10 Missing interactions: 0.252 (680/2695) weighted: 0.0514 (3.72e+05/7.24e+06) <3: 0.021 (6/286) <3w: 0.00216 (3.5e+03/1.62e+06) Model 11 Missing interactions: 0.263 (705/2683) weighted: 0.0451 (3.17e+05/7.03e+06) <3: 0.0214 (6/281) <3w: 0.00229 (3.84e+03/1.67e+06) Model 12 Missing interactions: 0.258 (689/2668) weighted: 0.0516 (3.57e+05/6.93e+06) <3: 0.0211 (6/285) <3w: 0.00255 (4.07e+03/1.6e+06) Model 13 Missing interactions: 0.24 (620/2586) weighted: 0.0439 (3.05e+05/6.95e+06) <3: 0.0213 (6/282) <3w: 0.00263 (4.31e+03/1.64e+06) Model 14 Missing interactions: 0.246 (649/2633) weighted: 0.0425 (2.93e+05/6.91e+06) <3: 0.0215 (6/279) <3w: 0.00936 (1.5e+04/1.6e+06) Model 15 Missing interactions: 0.247 (646/2616) weighted: 0.0493 (3.46e+05/7.02e+06) <3: 0.0214 (6/280) <3w: 0.0024 (3.84e+03/1.6e+06) Model 16 Missing interactions: 0.258 (692/2679) weighted: 0.0476 (3.31e+05/6.94e+06) <3: 0.0212 (6/283) <3w: 0.00228 (3.7e+03/1.62e+06) Model 17 Missing interactions: 0.255 (681/2667) weighted: 0.0482 (3.36e+05/6.98e+06) <3: 0.021 (6/286) <3w: 0.00215 (3.5e+03/1.63e+06) Model 18 Missing interactions: 0.26 (694/2665) weighted: 0.048 (3.38e+05/7.05e+06) <3: 0.0208 (6/289) <3w: 0.00215 (3.56e+03/1.66e+06) Model 19 Missing interactions: 0.238 (617/2591) weighted: 0.0344 (2.31e+05/6.7e+06) <3: 0.021 (6/286) <3w: 0.00255 (4.15e+03/1.62e+06) Model 20 Missing interactions: 0.247 (646/2620) weighted: 0.065 (4.68e+05/7.2e+06) <3: 0.021 (6/286) <3w: 0.00251 (4.15e+03/1.65e+06) Model ave Recall: 0.939 Precision: all: 0.775 allw: 0.972 <3: 0.978 <3w: 0.996 F-measure:(Recall,Precision) 0.849 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.938 Precision: all: 0.743 allw: 0.952 <3: 0.978 <3w: 0.998 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 2 Recall: 0.941 Precision: all: 0.752 allw: 0.955 <3: 0.979 <3w: 0.998 F-measure:(Recall,Precision) 0.836 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 3 Recall: 0.94 Precision: all: 0.746 allw: 0.949 <3: 0.979 <3w: 0.991 F-measure:(Recall,Precision) 0.832 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.995 Model 4 Recall: 0.943 Precision: all: 0.746 allw: 0.95 <3: 0.979 <3w: 0.998 F-measure:(Recall,Precision) 0.833 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 5 Recall: 0.936 Precision: all: 0.743 allw: 0.958 <3: 0.979 <3w: 0.998 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 6 Recall: 0.932 Precision: all: 0.741 allw: 0.94 <3: 0.978 <3w: 0.998 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 7 Recall: 0.934 Precision: all: 0.743 allw: 0.949 <3: 0.979 <3w: 0.991 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.995 Model 8 Recall: 0.938 Precision: all: 0.746 allw: 0.95 <3: 0.979 <3w: 0.997 F-measure:(Recall,Precision) 0.831 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 9 Recall: 0.934 Precision: all: 0.751 allw: 0.957 <3: 0.978 <3w: 0.997 F-measure:(Recall,Precision) 0.833 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 10 Recall: 0.943 Precision: all: 0.748 allw: 0.949 <3: 0.979 <3w: 0.998 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 11 Recall: 0.937 Precision: all: 0.737 allw: 0.955 <3: 0.979 <3w: 0.998 F-measure:(Recall,Precision) 0.825 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 12 Recall: 0.937 Precision: all: 0.742 allw: 0.948 <3: 0.979 <3w: 0.997 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 13 Recall: 0.934 Precision: all: 0.76 allw: 0.956 <3: 0.979 <3w: 0.997 F-measure:(Recall,Precision) 0.838 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 14 Recall: 0.941 Precision: all: 0.754 allw: 0.958 <3: 0.978 <3w: 0.991 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.995 Model 15 Recall: 0.934 Precision: all: 0.753 allw: 0.951 <3: 0.979 <3w: 0.998 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 16 Recall: 0.937 Precision: all: 0.742 allw: 0.952 <3: 0.979 <3w: 0.998 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 17 Recall: 0.937 Precision: all: 0.745 allw: 0.952 <3: 0.979 <3w: 0.998 F-measure:(Recall,Precision) 0.83 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 18 Recall: 0.934 Precision: all: 0.74 allw: 0.952 <3: 0.979 <3w: 0.998 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.999 Model 19 Recall: 0.936 Precision: all: 0.762 allw: 0.966 <3: 0.979 <3w: 0.997 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.999 Model 20 Recall: 0.934 Precision: all: 0.753 allw: 0.935 <3: 0.979 <3w: 0.997 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.989 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: 0.0342(276/8073) Model 1 Inconsistent score: 0.0442(357/8073) Model 2 Inconsistent score: 0.045(363/8073) Model 3 Inconsistent score: 0.0452(365/8073) Model 4 Inconsistent score: 0.0396(320/8073) Model 5 Inconsistent score: 0.0429(346/8073) Model 6 Inconsistent score: 0.0472(381/8073) Model 7 Inconsistent score: 0.0429(346/8073) Model 8 Inconsistent score: 0.0463(374/8073) Model 9 Inconsistent score: 0.0446(360/8073) Model 10 Inconsistent score: 0.0367(296/8073) Model 11 Inconsistent score: 0.043(347/8073) Model 12 Inconsistent score: 0.0431(348/8073) Model 13 Inconsistent score: 0.0451(364/8073) Model 14 Inconsistent score: 0.0401(324/8073) Model 15 Inconsistent score: 0.0452(365/8073) Model 16 Inconsistent score: 0.0411(332/8073) Model 17 Inconsistent score: 0.0445(359/8073) Model 18 Inconsistent score: 0.041(331/8073) Model 19 Inconsistent score: 0.0484(391/8073) Model 20 Inconsistent score: 0.0455(367/8073) Model ave Missing interactions: 0.365 (3.03e+03/8286) weighted: 0.0459 (9.56e+05/2.08e+07) <3: 0.0305 (34/1116) <3w: 0.00343 (4.48e+04/1.31e+07) Model 1 Missing interactions: 0.409 (3.74e+03/9142) weighted: 0.104 (2.82e+06/2.71e+07) <3: 0.0304 (34/1120) <3w: 0.00273 (3.66e+04/1.34e+07) Model 2 Missing interactions: 0.399 (3.5e+03/8781) weighted: 0.0847 (2.22e+06/2.62e+07) <3: 0.0304 (34/1119) <3w: 0.0024 (3.2e+04/1.33e+07) Model 3 Missing interactions: 0.405 (3.64e+03/8982) weighted: 0.1 (2.77e+06/2.76e+07) <3: 0.0303 (34/1122) <3w: 0.00378 (5.04e+04/1.33e+07) Model 4 Missing interactions: 0.405 (3.68e+03/9088) weighted: 0.0986 (2.62e+06/2.65e+07) <3: 0.0303 (34/1123) <3w: 0.00272 (3.62e+04/1.33e+07) Model 5 Missing interactions: 0.397 (3.52e+03/8879) weighted: 0.0804 (2.1e+06/2.61e+07) <3: 0.0302 (34/1127) <3w: 0.00332 (4.41e+04/1.33e+07) Model 6 Missing interactions: 0.411 (3.7e+03/9008) weighted: 0.101 (2.73e+06/2.7e+07) <3: 0.0304 (34/1120) <3w: 0.00274 (3.65e+04/1.34e+07) Model 7 Missing interactions: 0.403 (3.6e+03/8934) weighted: 0.0928 (2.49e+06/2.68e+07) <3: 0.0304 (34/1120) <3w: 0.00351 (4.72e+04/1.34e+07) Model 8 Missing interactions: 0.407 (3.62e+03/8895) weighted: 0.0886 (2.32e+06/2.62e+07) <3: 0.0303 (34/1123) <3w: 0.00335 (4.5e+04/1.34e+07) Model 9 Missing interactions: 0.393 (3.46e+03/8793) weighted: 0.0772 (2.04e+06/2.65e+07) <3: 0.0305 (34/1114) <3w: 0.00356 (4.75e+04/1.33e+07) Model 10 Missing interactions: 0.402 (3.6e+03/8969) weighted: 0.0909 (2.44e+06/2.68e+07) <3: 0.0302 (34/1127) <3w: 0.00253 (3.38e+04/1.34e+07) Model 11 Missing interactions: 0.409 (3.66e+03/8956) weighted: 0.0864 (2.29e+06/2.65e+07) <3: 0.0304 (34/1120) <3w: 0.00361 (4.83e+04/1.34e+07) Model 12 Missing interactions: 0.406 (3.68e+03/9058) weighted: 0.0846 (2.24e+06/2.65e+07) <3: 0.0301 (34/1128) <3w: 0.00358 (4.8e+04/1.34e+07) Model 13 Missing interactions: 0.406 (3.62e+03/8922) weighted: 0.0944 (2.5e+06/2.65e+07) <3: 0.0303 (34/1123) <3w: 0.00288 (3.84e+04/1.33e+07) Model 14 Missing interactions: 0.395 (3.47e+03/8774) weighted: 0.0786 (2.05e+06/2.61e+07) <3: 0.0304 (34/1118) <3w: 0.00366 (4.87e+04/1.33e+07) Model 15 Missing interactions: 0.397 (3.47e+03/8739) weighted: 0.0751 (1.92e+06/2.56e+07) <3: 0.0303 (34/1121) <3w: 0.0027 (3.59e+04/1.33e+07) Model 16 Missing interactions: 0.405 (3.63e+03/8966) weighted: 0.0785 (2.07e+06/2.64e+07) <3: 0.0302 (34/1124) <3w: 0.00272 (3.64e+04/1.34e+07) Model 17 Missing interactions: 0.402 (3.6e+03/8944) weighted: 0.0909 (2.49e+06/2.74e+07) <3: 0.0302 (34/1127) <3w: 0.00273 (3.65e+04/1.34e+07) Model 18 Missing interactions: 0.399 (3.53e+03/8859) weighted: 0.0821 (2.18e+06/2.66e+07) <3: 0.0301 (34/1130) <3w: 0.00365 (4.85e+04/1.33e+07) Model 19 Missing interactions: 0.397 (3.48e+03/8765) weighted: 0.0838 (2.17e+06/2.59e+07) <3: 0.0302 (34/1127) <3w: 0.00344 (4.56e+04/1.33e+07) Model 20 Missing interactions: 0.403 (3.58e+03/8893) weighted: 0.0969 (2.58e+06/2.66e+07) <3: 0.0302 (34/1127) <3w: 0.00292 (3.87e+04/1.32e+07) Model ave Recall: 0.966 Precision: all: 0.635 allw: 0.954 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.956 Precision: all: 0.591 allw: 0.896 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.73 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.999 Model 2 Recall: 0.955 Precision: all: 0.601 allw: 0.915 <3: 0.97 <3w: 0.998 F-measure:(Recall,Precision) 0.738 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.999 Model 3 Recall: 0.955 Precision: all: 0.595 allw: 0.9 <3: 0.97 <3w: 0.996 F-measure:(Recall,Precision) 0.733 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 4 Recall: 0.96 Precision: all: 0.595 allw: 0.901 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.735 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.999 Model 5 Recall: 0.957 Precision: all: 0.603 allw: 0.92 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.74 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 6 Recall: 0.953 Precision: all: 0.589 allw: 0.899 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.728 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.999 Model 7 Recall: 0.957 Precision: all: 0.597 allw: 0.907 <3: 0.97 <3w: 0.996 F-measure:(Recall,Precision) 0.736 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 8 Recall: 0.954 Precision: all: 0.593 allw: 0.911 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.731 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 9 Recall: 0.955 Precision: all: 0.607 allw: 0.923 <3: 0.969 <3w: 0.996 F-measure:(Recall,Precision) 0.742 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 10 Recall: 0.963 Precision: all: 0.598 allw: 0.909 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.738 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.999 Model 11 Recall: 0.957 Precision: all: 0.591 allw: 0.914 <3: 0.97 <3w: 0.996 F-measure:(Recall,Precision) 0.731 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 12 Recall: 0.957 Precision: all: 0.594 allw: 0.915 <3: 0.97 <3w: 0.996 F-measure:(Recall,Precision) 0.733 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 13 Recall: 0.955 Precision: all: 0.594 allw: 0.906 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.733 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.999 Model 14 Recall: 0.96 Precision: all: 0.605 allw: 0.921 <3: 0.97 <3w: 0.996 F-measure:(Recall,Precision) 0.742 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 15 Recall: 0.955 Precision: all: 0.603 allw: 0.925 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.739 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.999 Model 16 Recall: 0.959 Precision: all: 0.595 allw: 0.922 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.735 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.999 Model 17 Recall: 0.956 Precision: all: 0.598 allw: 0.909 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.736 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.999 Model 18 Recall: 0.959 Precision: all: 0.601 allw: 0.918 <3: 0.97 <3w: 0.996 F-measure:(Recall,Precision) 0.739 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 19 Recall: 0.952 Precision: all: 0.603 allw: 0.916 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.738 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 20 Recall: 0.955 Precision: all: 0.597 allw: 0.903 <3: 0.97 <3w: 0.997 F-measure:(Recall,Precision) 0.734 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.985 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: 0.959 Final Precision-score for input query structures: 0.958 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: 0.958 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.848 Model 1 Final Recall-score for input query structures: 0.951 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: 0.929 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.736 Model 2 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.924 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.998 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: 0.937 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.766 Model 3 Final Recall-score for input query structures: 0.951 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: 0.93 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.742 Model 4 Final Recall-score for input query structures: 0.956 Final Precision-score for input query structures: 0.912 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: 0.933 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.751 Model 5 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.927 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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: 0.939 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.777 Model 6 Final Recall-score for input query structures: 0.947 Final Precision-score for input query structures: 0.908 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: 0.927 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.728 Model 7 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.916 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: 0.933 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.754 Model 8 Final Recall-score for input query structures: 0.95 Final Precision-score for input query structures: 0.919 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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: 0.934 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.758 Model 9 Final Recall-score for input query structures: 0.95 Final Precision-score for input query structures: 0.93 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: 0.94 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.78 Model 10 Final Recall-score for input query structures: 0.958 Final Precision-score for input query structures: 0.917 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.998 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: 0.937 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.766 Model 11 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.922 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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: 0.937 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.769 Model 12 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.922 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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: 0.937 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.769 Model 13 Final Recall-score for input query structures: 0.95 Final Precision-score for input query structures: 0.916 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: 0.933 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.751 Model 14 Final Recall-score for input query structures: 0.955 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.942 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.788 Model 15 Final Recall-score for input query structures: 0.949 Final Precision-score for input query structures: 0.93 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: 0.94 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.777 Model 16 Final Recall-score for input query structures: 0.953 Final Precision-score for input query structures: 0.928 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: 0.94 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.777 Model 17 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.918 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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: 0.934 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.755 Model 18 Final Recall-score for input query structures: 0.953 Final Precision-score for input query structures: 0.925 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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: 0.939 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.777 Model 19 Final Recall-score for input query structures: 0.948 Final Precision-score for input query structures: 0.926 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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: 0.937 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.769 Model 20 Final Recall-score for input query structures: 0.949 Final Precision-score for input query structures: 0.91 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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: 0.929 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.736 Statistics: =========== NOESY_Assign: User CPU Time: 172 sec. Syst CPU Time: 2.82 sec. Other Processes: User CPU Time: 2.18 sec. Syst CPU Time: 0.1 sec. Total Elapsed Time: 177 sec.