# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 07:26:08 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR41_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR41_R3Cons_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: 0.0615(168/2730) Model 1 Inconsistent score: 0.0656(179/2730) Model 2 Inconsistent score: 0.0641(175/2730) Model 3 Inconsistent score: 0.0674(184/2730) Model 4 Inconsistent score: 0.0663(181/2730) Model 5 Inconsistent score: 0.0608(166/2730) Model 6 Inconsistent score: 0.0656(179/2730) Model 7 Inconsistent score: 0.0531(145/2730) Model 8 Inconsistent score: 0.0619(169/2730) Model 9 Inconsistent score: 0.0612(167/2730) Model 10 Inconsistent score: 0.0667(182/2730) Model 11 Inconsistent score: 0.0685(187/2730) Model 12 Inconsistent score: 0.0626(171/2730) Model 13 Inconsistent score: 0.0652(178/2730) Model 14 Inconsistent score: 0.0637(174/2730) Model 15 Inconsistent score: 0.0626(171/2730) Model 16 Inconsistent score: 0.0597(163/2730) Model 17 Inconsistent score: 0.0553(151/2730) Model 18 Inconsistent score: 0.0685(187/2730) Model 19 Inconsistent score: 0.0586(160/2730) Model 20 Inconsistent score: 0.0641(175/2730) Model ave Missing interactions: 0.235 (599/2554) weighted: 0.0301 (1.76e+05/5.87e+06) <3: 0.0216 (6/278) <3w: 0.00423 (6.66e+03/1.57e+06) Model 1 Missing interactions: 0.269 (733/2729) weighted: 0.0624 (4.35e+05/6.96e+06) <3: 0.0139 (4/288) <3w: 0.00282 (4.44e+03/1.58e+06) Model 2 Missing interactions: 0.27 (738/2732) weighted: 0.0512 (3.44e+05/6.72e+06) <3: 0.0105 (3/285) <3w: 0.0092 (1.48e+04/1.6e+06) Model 3 Missing interactions: 0.27 (737/2733) weighted: 0.0532 (3.72e+05/6.98e+06) <3: 0.0139 (4/288) <3w: 0.00213 (3.43e+03/1.61e+06) Model 4 Missing interactions: 0.264 (714/2708) weighted: 0.047 (3.29e+05/7e+06) <3: 0.0141 (4/284) <3w: 0.00929 (1.48e+04/1.59e+06) Model 5 Missing interactions: 0.268 (739/2755) weighted: 0.0455 (3.17e+05/6.96e+06) <3: 0.0177 (5/283) <3w: 0.00221 (3.49e+03/1.58e+06) Model 6 Missing interactions: 0.272 (737/2713) weighted: 0.0529 (3.66e+05/6.91e+06) <3: 0.014 (4/285) <3w: 0.00234 (3.78e+03/1.62e+06) Model 7 Missing interactions: 0.266 (730/2747) weighted: 0.0622 (4.45e+05/7.15e+06) <3: 0.0139 (4/287) <3w: 0.00201 (3.3e+03/1.64e+06) Model 8 Missing interactions: 0.268 (735/2745) weighted: 0.0526 (3.69e+05/7.02e+06) <3: 0.0142 (4/281) <3w: 0.00214 (3.36e+03/1.57e+06) Model 9 Missing interactions: 0.278 (770/2774) weighted: 0.0635 (4.42e+05/6.96e+06) <3: 0.0139 (4/287) <3w: 0.00293 (4.72e+03/1.62e+06) Model 10 Missing interactions: 0.259 (689/2661) weighted: 0.0407 (2.78e+05/6.84e+06) <3: 0.0105 (3/286) <3w: 0.00263 (4.2e+03/1.6e+06) Model 11 Missing interactions: 0.267 (724/2707) weighted: 0.0618 (4.33e+05/7.01e+06) <3: 0.0141 (4/284) <3w: 0.00202 (3.24e+03/1.6e+06) Model 12 Missing interactions: 0.264 (716/2713) weighted: 0.049 (3.42e+05/6.98e+06) <3: 0.0174 (5/288) <3w: 0.0022 (3.49e+03/1.59e+06) Model 13 Missing interactions: 0.265 (716/2702) weighted: 0.0559 (3.93e+05/7.03e+06) <3: 0.0139 (4/287) <3w: 0.00204 (3.36e+03/1.65e+06) Model 14 Missing interactions: 0.253 (673/2658) weighted: 0.0489 (3.41e+05/6.97e+06) <3: 0.0174 (5/287) <3w: 0.00255 (4.08e+03/1.6e+06) Model 15 Missing interactions: 0.26 (700/2693) weighted: 0.0641 (4.55e+05/7.11e+06) <3: 0.0143 (4/280) <3w: 0.00243 (3.86e+03/1.59e+06) Model 16 Missing interactions: 0.272 (750/2762) weighted: 0.0609 (4.23e+05/6.94e+06) <3: 0.014 (4/285) <3w: 0.00227 (3.63e+03/1.6e+06) Model 17 Missing interactions: 0.272 (757/2781) weighted: 0.064 (4.46e+05/6.96e+06) <3: 0.0105 (3/285) <3w: 0.00936 (1.48e+04/1.58e+06) Model 18 Missing interactions: 0.273 (751/2753) weighted: 0.057 (3.95e+05/6.93e+06) <3: 0.0141 (4/284) <3w: 0.00218 (3.43e+03/1.57e+06) Model 19 Missing interactions: 0.264 (716/2710) weighted: 0.0413 (2.83e+05/6.86e+06) <3: 0.00707 (2/283) <3w: 0.00211 (3.36e+03/1.6e+06) Model 20 Missing interactions: 0.266 (723/2717) weighted: 0.0521 (3.65e+05/7e+06) <3: 0.0177 (5/283) <3w: 0.00219 (3.56e+03/1.63e+06) Model ave Recall: 0.938 Precision: all: 0.765 allw: 0.97 <3: 0.978 <3w: 0.996 F-measure:(Recall,Precision) 0.843 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.989 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.934 Precision: all: 0.731 allw: 0.938 <3: 0.986 <3w: 0.997 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 2 Recall: 0.936 Precision: all: 0.73 allw: 0.949 <3: 0.989 <3w: 0.991 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 0.995 Model 3 Recall: 0.933 Precision: all: 0.73 allw: 0.947 <3: 0.986 <3w: 0.998 F-measure:(Recall,Precision) 0.819 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 4 Recall: 0.934 Precision: all: 0.736 allw: 0.953 <3: 0.986 <3w: 0.991 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.995 Model 5 Recall: 0.939 Precision: all: 0.732 allw: 0.955 <3: 0.982 <3w: 0.998 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.991 F-measure:(0,PrecisionIdealW) 0.999 Model 6 Recall: 0.934 Precision: all: 0.728 allw: 0.947 <3: 0.986 <3w: 0.998 F-measure:(Recall,Precision) 0.819 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 7 Recall: 0.947 Precision: all: 0.734 allw: 0.938 <3: 0.986 <3w: 0.998 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 8 Recall: 0.938 Precision: all: 0.732 allw: 0.947 <3: 0.986 <3w: 0.998 F-measure:(Recall,Precision) 0.822 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 9 Recall: 0.939 Precision: all: 0.722 allw: 0.936 <3: 0.986 <3w: 0.997 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 10 Recall: 0.933 Precision: all: 0.741 allw: 0.959 <3: 0.99 <3w: 0.997 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 0.999 Model 11 Recall: 0.932 Precision: all: 0.733 allw: 0.938 <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 12 Recall: 0.937 Precision: all: 0.736 allw: 0.951 <3: 0.983 <3w: 0.998 F-measure:(Recall,Precision) 0.825 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 0.991 F-measure:(0,PrecisionIdealW) 0.999 Model 13 Recall: 0.935 Precision: all: 0.735 allw: 0.944 <3: 0.986 <3w: 0.998 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 14 Recall: 0.936 Precision: all: 0.747 allw: 0.951 <3: 0.983 <3w: 0.997 F-measure:(Recall,Precision) 0.831 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 0.991 F-measure:(0,PrecisionIdealW) 0.999 Model 15 Recall: 0.937 Precision: all: 0.74 allw: 0.936 <3: 0.986 <3w: 0.998 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 16 Recall: 0.94 Precision: all: 0.728 allw: 0.939 <3: 0.986 <3w: 0.998 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 17 Recall: 0.945 Precision: all: 0.728 allw: 0.936 <3: 0.989 <3w: 0.991 F-measure:(Recall,Precision) 0.822 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 0.995 Model 18 Recall: 0.932 Precision: all: 0.727 allw: 0.943 <3: 0.986 <3w: 0.998 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.999 Model 19 Recall: 0.941 Precision: all: 0.736 allw: 0.959 <3: 0.993 <3w: 0.998 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 20 Recall: 0.936 Precision: all: 0.734 allw: 0.948 <3: 0.982 <3w: 0.998 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.991 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: 0.0344(278/8073) Model 1 Inconsistent score: 0.0412(333/8073) Model 2 Inconsistent score: 0.0384(310/8073) Model 3 Inconsistent score: 0.0405(327/8073) Model 4 Inconsistent score: 0.0408(329/8073) Model 5 Inconsistent score: 0.0357(288/8073) Model 6 Inconsistent score: 0.0417(337/8073) Model 7 Inconsistent score: 0.0349(282/8073) Model 8 Inconsistent score: 0.0367(296/8073) Model 9 Inconsistent score: 0.037(299/8073) Model 10 Inconsistent score: 0.0435(351/8073) Model 11 Inconsistent score: 0.0386(312/8073) Model 12 Inconsistent score: 0.0386(312/8073) Model 13 Inconsistent score: 0.0337(272/8073) Model 14 Inconsistent score: 0.0384(310/8073) Model 15 Inconsistent score: 0.0395(319/8073) Model 16 Inconsistent score: 0.0383(309/8073) Model 17 Inconsistent score: 0.0344(278/8073) Model 18 Inconsistent score: 0.0411(332/8073) Model 19 Inconsistent score: 0.0388(313/8073) Model 20 Inconsistent score: 0.038(307/8073) Model ave Missing interactions: 0.383 (3.32e+03/8666) weighted: 0.0513 (1.12e+06/2.17e+07) <3: 0.0304 (34/1119) <3w: 0.00354 (4.6e+04/1.3e+07) Model 1 Missing interactions: 0.418 (3.94e+03/9413) weighted: 0.0968 (2.59e+06/2.68e+07) <3: 0.0284 (32/1126) <3w: 0.00391 (5.18e+04/1.32e+07) Model 2 Missing interactions: 0.421 (3.99e+03/9472) weighted: 0.0958 (2.56e+06/2.67e+07) <3: 0.025 (28/1121) <3w: 0.00385 (5.08e+04/1.32e+07) Model 3 Missing interactions: 0.424 (4.06e+03/9582) weighted: 0.106 (2.93e+06/2.76e+07) <3: 0.0283 (32/1129) <3w: 0.00307 (4.07e+04/1.33e+07) Model 4 Missing interactions: 0.419 (3.94e+03/9414) weighted: 0.102 (2.78e+06/2.73e+07) <3: 0.0267 (30/1122) <3w: 0.00387 (5.07e+04/1.31e+07) Model 5 Missing interactions: 0.417 (3.98e+03/9533) weighted: 0.0866 (2.28e+06/2.63e+07) <3: 0.0276 (31/1122) <3w: 0.00301 (3.96e+04/1.32e+07) Model 6 Missing interactions: 0.417 (3.86e+03/9263) weighted: 0.0914 (2.44e+06/2.67e+07) <3: 0.0285 (32/1124) <3w: 0.00388 (5.13e+04/1.32e+07) Model 7 Missing interactions: 0.416 (3.94e+03/9464) weighted: 0.0879 (2.34e+06/2.67e+07) <3: 0.0284 (32/1125) <3w: 0.00382 (5.08e+04/1.33e+07) Model 8 Missing interactions: 0.412 (3.85e+03/9340) weighted: 0.0919 (2.46e+06/2.68e+07) <3: 0.0268 (30/1120) <3w: 0.00287 (3.77e+04/1.31e+07) Model 9 Missing interactions: 0.417 (3.94e+03/9435) weighted: 0.0957 (2.55e+06/2.67e+07) <3: 0.0266 (30/1126) <3w: 0.00305 (4.01e+04/1.31e+07) Model 10 Missing interactions: 0.412 (3.82e+03/9280) weighted: 0.0914 (2.41e+06/2.63e+07) <3: 0.0249 (28/1125) <3w: 0.00297 (3.89e+04/1.31e+07) Model 11 Missing interactions: 0.421 (4.01e+03/9529) weighted: 0.108 (2.93e+06/2.72e+07) <3: 0.0267 (30/1123) <3w: 0.00299 (3.94e+04/1.32e+07) Model 12 Missing interactions: 0.425 (4.05e+03/9522) weighted: 0.0918 (2.46e+06/2.68e+07) <3: 0.0267 (30/1123) <3w: 0.00297 (3.92e+04/1.32e+07) Model 13 Missing interactions: 0.418 (3.97e+03/9516) weighted: 0.0987 (2.69e+06/2.73e+07) <3: 0.0284 (32/1128) <3w: 0.0038 (5.05e+04/1.33e+07) Model 14 Missing interactions: 0.418 (3.91e+03/9356) weighted: 0.101 (2.71e+06/2.68e+07) <3: 0.0293 (33/1128) <3w: 0.00302 (3.98e+04/1.32e+07) Model 15 Missing interactions: 0.415 (3.85e+03/9291) weighted: 0.106 (2.9e+06/2.73e+07) <3: 0.0268 (30/1121) <3w: 0.00312 (4.12e+04/1.32e+07) Model 16 Missing interactions: 0.415 (3.87e+03/9323) weighted: 0.0865 (2.28e+06/2.64e+07) <3: 0.0267 (30/1123) <3w: 0.003 (3.95e+04/1.32e+07) Model 17 Missing interactions: 0.42 (3.98e+03/9475) weighted: 0.0932 (2.53e+06/2.72e+07) <3: 0.0267 (30/1122) <3w: 0.00382 (5.01e+04/1.31e+07) Model 18 Missing interactions: 0.425 (4.02e+03/9457) weighted: 0.0938 (2.52e+06/2.69e+07) <3: 0.0267 (30/1123) <3w: 0.00292 (3.85e+04/1.32e+07) Model 19 Missing interactions: 0.413 (3.86e+03/9323) weighted: 0.0997 (2.69e+06/2.7e+07) <3: 0.0259 (29/1121) <3w: 0.00281 (3.69e+04/1.32e+07) Model 20 Missing interactions: 0.42 (4e+03/9521) weighted: 0.11 (3.02e+06/2.74e+07) <3: 0.0277 (31/1121) <3w: 0.00296 (3.9e+04/1.32e+07) Model ave Recall: 0.966 Precision: all: 0.617 allw: 0.949 <3: 0.97 <3w: 0.996 F-measure:(Recall,Precision) 0.753 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.959 Precision: all: 0.582 allw: 0.903 <3: 0.972 <3w: 0.996 F-measure:(Recall,Precision) 0.724 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 2 Recall: 0.962 Precision: all: 0.579 allw: 0.904 <3: 0.975 <3w: 0.996 F-measure:(Recall,Precision) 0.723 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.998 Model 3 Recall: 0.959 Precision: all: 0.576 allw: 0.894 <3: 0.972 <3w: 0.997 F-measure:(Recall,Precision) 0.72 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 4 Recall: 0.959 Precision: all: 0.581 allw: 0.898 <3: 0.973 <3w: 0.996 F-measure:(Recall,Precision) 0.724 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 5 Recall: 0.964 Precision: all: 0.583 allw: 0.913 <3: 0.972 <3w: 0.997 F-measure:(Recall,Precision) 0.726 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 6 Recall: 0.958 Precision: all: 0.583 allw: 0.909 <3: 0.972 <3w: 0.996 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 7 Recall: 0.965 Precision: all: 0.584 allw: 0.912 <3: 0.972 <3w: 0.996 F-measure:(Recall,Precision) 0.728 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 8 Recall: 0.963 Precision: all: 0.588 allw: 0.908 <3: 0.973 <3w: 0.997 F-measure:(Recall,Precision) 0.73 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.999 Model 9 Recall: 0.963 Precision: all: 0.583 allw: 0.904 <3: 0.973 <3w: 0.997 F-measure:(Recall,Precision) 0.726 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 10 Recall: 0.957 Precision: all: 0.588 allw: 0.909 <3: 0.975 <3w: 0.997 F-measure:(Recall,Precision) 0.728 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.999 Model 11 Recall: 0.961 Precision: all: 0.579 allw: 0.892 <3: 0.973 <3w: 0.997 F-measure:(Recall,Precision) 0.723 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.999 Model 12 Recall: 0.961 Precision: all: 0.575 allw: 0.908 <3: 0.973 <3w: 0.997 F-measure:(Recall,Precision) 0.72 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.999 Model 13 Recall: 0.966 Precision: all: 0.582 allw: 0.901 <3: 0.972 <3w: 0.996 F-measure:(Recall,Precision) 0.727 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 14 Recall: 0.962 Precision: all: 0.582 allw: 0.899 <3: 0.971 <3w: 0.997 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.998 Model 15 Recall: 0.96 Precision: all: 0.585 allw: 0.894 <3: 0.973 <3w: 0.997 F-measure:(Recall,Precision) 0.727 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 16 Recall: 0.962 Precision: all: 0.585 allw: 0.913 <3: 0.973 <3w: 0.997 F-measure:(Recall,Precision) 0.727 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 17 Recall: 0.966 Precision: all: 0.58 allw: 0.907 <3: 0.973 <3w: 0.996 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.998 Model 18 Recall: 0.959 Precision: all: 0.575 allw: 0.906 <3: 0.973 <3w: 0.997 F-measure:(Recall,Precision) 0.719 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.986 F-measure:(0,PrecisionIdealW) 0.999 Model 19 Recall: 0.961 Precision: all: 0.587 allw: 0.9 <3: 0.974 <3w: 0.997 F-measure:(Recall,Precision) 0.729 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.999 Model 20 Recall: 0.962 Precision: all: 0.58 allw: 0.89 <3: 0.972 <3w: 0.997 F-measure:(Recall,Precision) 0.724 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.986 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: 0.953 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: 0.956 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.841 Model 1 Final Recall-score for input query structures: 0.953 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: 0.931 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.746 Model 2 Final Recall-score for input query structures: 0.955 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: 0.608 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 3 Final Recall-score for input query structures: 0.953 Final Precision-score for input query structures: 0.904 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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: 0.928 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.732 Model 4 Final Recall-score for input query structures: 0.953 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.931 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.746 Model 5 Final Recall-score for input query structures: 0.958 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: 0.94 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.777 Model 6 Final Recall-score for input query structures: 0.952 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: 0.608 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 7 Final Recall-score for input query structures: 0.96 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: 0.608 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 8 Final Recall-score for input query structures: 0.957 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: 0.936 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.762 Model 9 Final Recall-score for input query structures: 0.957 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: 0.933 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.754 Model 10 Final Recall-score for input query structures: 0.951 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: 0.935 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.758 Model 11 Final Recall-score for input query structures: 0.954 Final Precision-score for input query structures: 0.902 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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 12 Final Recall-score for input query structures: 0.955 Final Precision-score for input query structures: 0.917 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.997 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: 0.936 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.762 Model 13 Final Recall-score for input query structures: 0.958 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: 0.934 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.758 Model 14 Final Recall-score for input query structures: 0.955 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: 0.932 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.747 Model 15 Final Recall-score for input query structures: 0.955 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: 0.928 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.735 Model 16 Final Recall-score for input query structures: 0.956 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: 0.937 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.766 Model 17 Final Recall-score for input query structures: 0.96 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: 0.608 Final Precision-score for freely-rotating-chain model: 0.925 Summary: F-score of input query structures: 0.936 F-score of ideal true structures: 0.998 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.765 Model 18 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.914 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: 0.932 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.747 Model 19 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: 0.934 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.755 Model 20 Final Recall-score for input query structures: 0.955 Final Precision-score for input query structures: 0.901 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: 0.928 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.734 DP-Score: 0.732 Statistics: =========== NOESY_Assign: User CPU Time: 171 sec. Syst CPU Time: 2.85 sec. Other Processes: User CPU Time: 2.16 sec. Syst CPU Time: 0.1 sec. Total Elapsed Time: 176 sec.