# created by ASDP Version 1.0 Copyright(C) 2010 # Tue May 14 14:55:56 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SPR104_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SPR104_R3Cons_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 112 Number of peaks NOT matched in the Peak List: 2 M score = 0.018 Average shift in HX: -0.0016 Average ab-shift in HX: 0.0053(Assignment used: 91) Average shift in X: -0.022 Average ab-shift in X: 0.038(Assignment used: 85) Average shift in HX2: 0.0013 Average ab-shift in HX2: 0.006(Assignment used: 108) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0318(31/975) Model 1 Inconsistent score: 0.039(38/975) Model 2 Inconsistent score: 0.041(40/975) Model 3 Inconsistent score: 0.041(40/975) Model 4 Inconsistent score: 0.04(39/975) Model 5 Inconsistent score: 0.04(39/975) Model 6 Inconsistent score: 0.0451(44/975) Model 7 Inconsistent score: 0.0349(34/975) Model 8 Inconsistent score: 0.0349(34/975) Model 9 Inconsistent score: 0.0328(32/975) Model 10 Inconsistent score: 0.0441(43/975) Model 11 Inconsistent score: 0.041(40/975) Model 12 Inconsistent score: 0.0369(36/975) Model 13 Inconsistent score: 0.0338(33/975) Model 14 Inconsistent score: 0.0472(46/975) Model 15 Inconsistent score: 0.0349(34/975) Model 16 Inconsistent score: 0.0359(35/975) Model 17 Inconsistent score: 0.0431(42/975) Model 18 Inconsistent score: 0.0308(30/975) Model 19 Inconsistent score: 0.0379(37/975) Model 20 Inconsistent score: 0.0359(35/975) Model ave Missing interactions: 0.197 (225/1140) weighted: 0.0221 (6.06e+04/2.74e+06) <3: 0.00806 (1/124) <3w: 0.00277 (2.12e+03/7.66e+05) Model 1 Missing interactions: 0.259 (324/1251) weighted: 0.071 (2.65e+05/3.73e+06) <3: 0.00794 (1/126) <3w: 0.00279 (2.17e+03/7.77e+05) Model 2 Missing interactions: 0.257 (316/1231) weighted: 0.0525 (1.84e+05/3.51e+06) <3: 0.00787 (1/127) <3w: 0.00269 (2.03e+03/7.55e+05) Model 3 Missing interactions: 0.24 (292/1217) weighted: 0.0463 (1.64e+05/3.55e+06) <3: 0.00806 (1/124) <3w: 0.0026 (2.03e+03/7.8e+05) Model 4 Missing interactions: 0.254 (314/1237) weighted: 0.0486 (1.68e+05/3.46e+06) <3: 0.0082 (1/122) <3w: 0.00247 (1.87e+03/7.56e+05) Model 5 Missing interactions: 0.243 (296/1218) weighted: 0.0443 (1.59e+05/3.59e+06) <3: 0.008 (1/125) <3w: 0.00287 (2.17e+03/7.55e+05) Model 6 Missing interactions: 0.242 (288/1190) weighted: 0.0324 (1.17e+05/3.6e+06) <3: 0.00813 (1/123) <3w: 0.00241 (1.99e+03/8.24e+05) Model 7 Missing interactions: 0.252 (314/1246) weighted: 0.039 (1.4e+05/3.58e+06) <3: 0.00806 (1/124) <3w: 0.00267 (1.95e+03/7.29e+05) Model 8 Missing interactions: 0.249 (310/1244) weighted: 0.0431 (1.52e+05/3.53e+06) <3: 0.00787 (1/127) <3w: 0.00233 (1.95e+03/8.37e+05) Model 9 Missing interactions: 0.236 (287/1217) weighted: 0.0461 (1.61e+05/3.49e+06) <3: 0.00806 (1/124) <3w: 0.00224 (1.72e+03/7.65e+05) Model 10 Missing interactions: 0.235 (281/1198) weighted: 0.0416 (1.44e+05/3.48e+06) <3: 0.00806 (1/124) <3w: 0.00297 (2.26e+03/7.61e+05) Model 11 Missing interactions: 0.25 (309/1235) weighted: 0.0513 (1.85e+05/3.6e+06) <3: 0.00794 (1/126) <3w: 0.00259 (2.03e+03/7.83e+05) Model 12 Missing interactions: 0.25 (309/1236) weighted: 0.0379 (1.38e+05/3.64e+06) <3: 0.008 (1/125) <3w: 0.00251 (1.95e+03/7.77e+05) Model 13 Missing interactions: 0.261 (325/1246) weighted: 0.056 (1.97e+05/3.52e+06) <3: 0.008 (1/125) <3w: 0.00264 (1.95e+03/7.38e+05) Model 14 Missing interactions: 0.259 (321/1239) weighted: 0.0419 (1.42e+05/3.39e+06) <3: 0.008 (1/125) <3w: 0.00353 (2.64e+03/7.48e+05) Model 15 Missing interactions: 0.239 (292/1223) weighted: 0.0447 (1.53e+05/3.43e+06) <3: 0.00813 (1/123) <3w: 0.00242 (1.87e+03/7.7e+05) Model 16 Missing interactions: 0.26 (325/1251) weighted: 0.0539 (1.87e+05/3.46e+06) <3: 0.008 (1/125) <3w: 0.00261 (1.99e+03/7.62e+05) Model 17 Missing interactions: 0.243 (292/1201) weighted: 0.0414 (1.43e+05/3.45e+06) <3: 0.00794 (1/126) <3w: 0.00263 (2.03e+03/7.72e+05) Model 18 Missing interactions: 0.247 (301/1221) weighted: 0.0399 (1.42e+05/3.56e+06) <3: 0.00806 (1/124) <3w: 0.00248 (1.95e+03/7.84e+05) Model 19 Missing interactions: 0.257 (316/1230) weighted: 0.0481 (1.69e+05/3.51e+06) <3: 0.008 (1/125) <3w: 0.0025 (1.91e+03/7.64e+05) Model 20 Missing interactions: 0.263 (327/1242) weighted: 0.0486 (1.72e+05/3.55e+06) <3: 0.00794 (1/126) <3w: 0.00239 (1.91e+03/7.99e+05) Model ave Recall: 0.968 Precision: all: 0.803 allw: 0.978 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.878 F-measure:(Recall,PrecisionW) 0.973 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 1 Recall: 0.961 Precision: all: 0.741 allw: 0.929 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 2 Recall: 0.959 Precision: all: 0.743 allw: 0.948 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 3 Recall: 0.959 Precision: all: 0.76 allw: 0.954 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.848 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 4 Recall: 0.96 Precision: all: 0.746 allw: 0.951 <3: 0.992 <3w: 0.998 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 5 Recall: 0.96 Precision: all: 0.757 allw: 0.956 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.846 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 6 Recall: 0.955 Precision: all: 0.758 allw: 0.968 <3: 0.992 <3w: 0.998 F-measure:(Recall,Precision) 0.845 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 7 Recall: 0.965 Precision: all: 0.748 allw: 0.961 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.843 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 8 Recall: 0.965 Precision: all: 0.751 allw: 0.957 <3: 0.992 <3w: 0.998 F-measure:(Recall,Precision) 0.845 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 9 Recall: 0.967 Precision: all: 0.764 allw: 0.954 <3: 0.992 <3w: 0.998 F-measure:(Recall,Precision) 0.854 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 10 Recall: 0.956 Precision: all: 0.765 allw: 0.958 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.85 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 11 Recall: 0.959 Precision: all: 0.75 allw: 0.949 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.842 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 12 Recall: 0.963 Precision: all: 0.75 allw: 0.962 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.843 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 13 Recall: 0.966 Precision: all: 0.739 allw: 0.944 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.838 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 14 Recall: 0.953 Precision: all: 0.741 allw: 0.958 <3: 0.992 <3w: 0.996 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.998 Model 15 Recall: 0.965 Precision: all: 0.761 allw: 0.955 <3: 0.992 <3w: 0.998 F-measure:(Recall,Precision) 0.851 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 16 Recall: 0.964 Precision: all: 0.74 allw: 0.946 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 17 Recall: 0.957 Precision: all: 0.757 allw: 0.959 <3: 0.992 <3w: 0.997 F-measure:(Recall,Precision) 0.845 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 18 Recall: 0.969 Precision: all: 0.753 allw: 0.96 <3: 0.992 <3w: 0.998 F-measure:(Recall,Precision) 0.848 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 19 Recall: 0.962 Precision: all: 0.743 allw: 0.952 <3: 0.992 <3w: 0.998 F-measure:(Recall,Precision) 0.839 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 Model 20 Recall: 0.964 Precision: all: 0.737 allw: 0.951 <3: 0.992 <3w: 0.998 F-measure:(Recall,Precision) 0.835 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 0.999 For freely-rotating-chain model: Model ave Inconsistent score: 0.305(297/975) Model ave Missing interactions: 0.118 (75/633) weighted: 0.0354 (1.34e+04/3.78e+05) <3: 0.0167 (2/120) <3w: 0.0088 (1.86e+03/2.11e+05) Recall: 0.695 Precision: all: 0.882 allw: 0.965 F-measure:(RecallFree,PrecisionFree) 0.777 F-measure:(ReallFree,PrecisionFreeW) 0.808 # Summary for c_aro.peaks Total simulated peaks: 13 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: 0.0039 Average ab-shift in HX: 0.0051(Assignment used: 7) Average shift in X: -0.023 Average ab-shift in X: 0.043(Assignment used: 7) Average shift in HX2: -0.003 Average ab-shift in HX2: 0.0061(Assignment used: 11) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.0909(8/88) Model 1 Inconsistent score: 0.114(10/88) Model 2 Inconsistent score: 0.0682(6/88) Model 3 Inconsistent score: 0.114(10/88) Model 4 Inconsistent score: 0.102(9/88) Model 5 Inconsistent score: 0.0682(6/88) Model 6 Inconsistent score: 0.0795(7/88) Model 7 Inconsistent score: 0.0682(6/88) Model 8 Inconsistent score: 0.0909(8/88) Model 9 Inconsistent score: 0.0795(7/88) Model 10 Inconsistent score: 0.102(9/88) Model 11 Inconsistent score: 0.0682(6/88) Model 12 Inconsistent score: 0.0909(8/88) Model 13 Inconsistent score: 0.0795(7/88) Model 14 Inconsistent score: 0.0795(7/88) Model 15 Inconsistent score: 0.114(10/88) Model 16 Inconsistent score: 0.102(9/88) Model 17 Inconsistent score: 0.102(9/88) Model 18 Inconsistent score: 0.0682(6/88) Model 19 Inconsistent score: 0.0909(8/88) Model 20 Inconsistent score: 0.102(9/88) Model ave Missing interactions: 0.629 (144/229) weighted: 0.27 (5.93e+04/2.19e+05) <3: 0.538 (7/13) <3w: 0.156 (3.03e+03/1.95e+04) Model 1 Missing interactions: 0.7 (173/247) weighted: 0.457 (1.7e+05/3.72e+05) <3: 0.545 (6/11) <3w: 0.173 (3.1e+03/1.8e+04) Model 2 Missing interactions: 0.693 (194/280) weighted: 0.448 (1.96e+05/4.37e+05) <3: 0.538 (7/13) <3w: 0.138 (2.91e+03/2.12e+04) Model 3 Missing interactions: 0.676 (171/253) weighted: 0.352 (1.24e+05/3.53e+05) <3: 0.545 (6/11) <3w: 0.173 (3.1e+03/1.8e+04) Model 4 Missing interactions: 0.676 (173/256) weighted: 0.328 (9.84e+04/3.01e+05) <3: 0.545 (6/11) <3w: 0.173 (3.1e+03/1.8e+04) Model 5 Missing interactions: 0.671 (186/277) weighted: 0.439 (1.98e+05/4.51e+05) <3: 0.538 (7/13) <3w: 0.139 (2.95e+03/2.12e+04) Model 6 Missing interactions: 0.678 (179/264) weighted: 0.418 (1.53e+05/3.66e+05) <3: 0.5 (6/12) <3w: 0.172 (3.1e+03/1.81e+04) Model 7 Missing interactions: 0.685 (191/279) weighted: 0.395 (1.81e+05/4.58e+05) <3: 0.538 (7/13) <3w: 0.155 (3.19e+03/2.05e+04) Model 8 Missing interactions: 0.686 (190/277) weighted: 0.347 (1.14e+05/3.28e+05) <3: 0.538 (7/13) <3w: 0.155 (3.18e+03/2.05e+04) Model 9 Missing interactions: 0.684 (184/269) weighted: 0.38 (1.42e+05/3.73e+05) <3: 0.538 (7/13) <3w: 0.156 (3.18e+03/2.04e+04) Model 10 Missing interactions: 0.681 (171/251) weighted: 0.384 (1.21e+05/3.16e+05) <3: 0.538 (7/13) <3w: 0.14 (2.95e+03/2.11e+04) Model 11 Missing interactions: 0.656 (166/253) weighted: 0.405 (1.73e+05/4.27e+05) <3: 0.538 (7/13) <3w: 0.156 (3.19e+03/2.05e+04) Model 12 Missing interactions: 0.683 (194/284) weighted: 0.353 (1.3e+05/3.67e+05) <3: 0.583 (7/12) <3w: 0.156 (3.18e+03/2.05e+04) Model 13 Missing interactions: 0.707 (203/287) weighted: 0.426 (1.85e+05/4.35e+05) <3: 0.538 (7/13) <3w: 0.156 (3.18e+03/2.05e+04) Model 14 Missing interactions: 0.673 (185/275) weighted: 0.368 (1.23e+05/3.33e+05) <3: 0.5 (6/12) <3w: 0.172 (3.1e+03/1.81e+04) Model 15 Missing interactions: 0.643 (146/227) weighted: 0.402 (1.58e+05/3.93e+05) <3: 0.583 (7/12) <3w: 0.155 (3.18e+03/2.05e+04) Model 16 Missing interactions: 0.696 (176/253) weighted: 0.368 (1.25e+05/3.39e+05) <3: 0.583 (7/12) <3w: 0.156 (3.19e+03/2.04e+04) Model 17 Missing interactions: 0.673 (169/251) weighted: 0.365 (1.23e+05/3.35e+05) <3: 0.538 (7/13) <3w: 0.155 (3.18e+03/2.05e+04) Model 18 Missing interactions: 0.676 (190/281) weighted: 0.354 (1.24e+05/3.49e+05) <3: 0.545 (6/11) <3w: 0.173 (3.1e+03/1.8e+04) Model 19 Missing interactions: 0.691 (183/265) weighted: 0.43 (1.62e+05/3.77e+05) <3: 0.5 (6/12) <3w: 0.172 (3.1e+03/1.81e+04) Model 20 Missing interactions: 0.665 (173/260) weighted: 0.399 (1.53e+05/3.83e+05) <3: 0.583 (7/12) <3w: 0.155 (3.19e+03/2.05e+04) Model ave Recall: 0.909 Precision: all: 0.371 allw: 0.73 <3: 0.462 <3w: 0.844 F-measure:(Recall,Precision) 0.527 F-measure:(Recall,PrecisionW) 0.81 F-measure:(0,PrecisionIdeal) 0.632 F-measure:(0,PrecisionIdealW) 0.916 Model 1 Recall: 0.886 Precision: all: 0.3 allw: 0.543 <3: 0.455 <3w: 0.827 F-measure:(Recall,Precision) 0.448 F-measure:(Recall,PrecisionW) 0.674 F-measure:(0,PrecisionIdeal) 0.625 F-measure:(0,PrecisionIdealW) 0.906 Model 2 Recall: 0.932 Precision: all: 0.307 allw: 0.552 <3: 0.462 <3w: 0.862 F-measure:(Recall,Precision) 0.462 F-measure:(Recall,PrecisionW) 0.694 F-measure:(0,PrecisionIdeal) 0.632 F-measure:(0,PrecisionIdealW) 0.926 Model 3 Recall: 0.886 Precision: all: 0.324 allw: 0.648 <3: 0.455 <3w: 0.827 F-measure:(Recall,Precision) 0.475 F-measure:(Recall,PrecisionW) 0.749 F-measure:(0,PrecisionIdeal) 0.625 F-measure:(0,PrecisionIdealW) 0.906 Model 4 Recall: 0.898 Precision: all: 0.324 allw: 0.672 <3: 0.455 <3w: 0.827 F-measure:(Recall,Precision) 0.476 F-measure:(Recall,PrecisionW) 0.769 F-measure:(0,PrecisionIdeal) 0.625 F-measure:(0,PrecisionIdealW) 0.906 Model 5 Recall: 0.932 Precision: all: 0.329 allw: 0.561 <3: 0.462 <3w: 0.861 F-measure:(Recall,Precision) 0.486 F-measure:(Recall,PrecisionW) 0.701 F-measure:(0,PrecisionIdeal) 0.632 F-measure:(0,PrecisionIdealW) 0.925 Model 6 Recall: 0.92 Precision: all: 0.322 allw: 0.582 <3: 0.5 <3w: 0.828 F-measure:(Recall,Precision) 0.477 F-measure:(Recall,PrecisionW) 0.713 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.906 Model 7 Recall: 0.932 Precision: all: 0.315 allw: 0.605 <3: 0.462 <3w: 0.845 F-measure:(Recall,Precision) 0.471 F-measure:(Recall,PrecisionW) 0.733 F-measure:(0,PrecisionIdeal) 0.632 F-measure:(0,PrecisionIdealW) 0.916 Model 8 Recall: 0.909 Precision: all: 0.314 allw: 0.653 <3: 0.462 <3w: 0.845 F-measure:(Recall,Precision) 0.467 F-measure:(Recall,PrecisionW) 0.76 F-measure:(0,PrecisionIdeal) 0.632 F-measure:(0,PrecisionIdealW) 0.916 Model 9 Recall: 0.92 Precision: all: 0.316 allw: 0.62 <3: 0.462 <3w: 0.844 F-measure:(Recall,Precision) 0.47 F-measure:(Recall,PrecisionW) 0.741 F-measure:(0,PrecisionIdeal) 0.632 F-measure:(0,PrecisionIdealW) 0.915 Model 10 Recall: 0.898 Precision: all: 0.319 allw: 0.616 <3: 0.462 <3w: 0.86 F-measure:(Recall,Precision) 0.47 F-measure:(Recall,PrecisionW) 0.73 F-measure:(0,PrecisionIdeal) 0.632 F-measure:(0,PrecisionIdealW) 0.925 Model 11 Recall: 0.932 Precision: all: 0.344 allw: 0.595 <3: 0.462 <3w: 0.844 F-measure:(Recall,Precision) 0.502 F-measure:(Recall,PrecisionW) 0.726 F-measure:(0,PrecisionIdeal) 0.632 F-measure:(0,PrecisionIdealW) 0.916 Model 12 Recall: 0.909 Precision: all: 0.317 allw: 0.647 <3: 0.417 <3w: 0.844 F-measure:(Recall,Precision) 0.47 F-measure:(Recall,PrecisionW) 0.756 F-measure:(0,PrecisionIdeal) 0.588 F-measure:(0,PrecisionIdealW) 0.916 Model 13 Recall: 0.92 Precision: all: 0.293 allw: 0.574 <3: 0.462 <3w: 0.844 F-measure:(Recall,Precision) 0.444 F-measure:(Recall,PrecisionW) 0.707 F-measure:(0,PrecisionIdeal) 0.632 F-measure:(0,PrecisionIdealW) 0.916 Model 14 Recall: 0.92 Precision: all: 0.327 allw: 0.632 <3: 0.5 <3w: 0.828 F-measure:(Recall,Precision) 0.483 F-measure:(Recall,PrecisionW) 0.75 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.906 Model 15 Recall: 0.886 Precision: all: 0.357 allw: 0.598 <3: 0.417 <3w: 0.845 F-measure:(Recall,Precision) 0.509 F-measure:(Recall,PrecisionW) 0.714 F-measure:(0,PrecisionIdeal) 0.588 F-measure:(0,PrecisionIdealW) 0.916 Model 16 Recall: 0.898 Precision: all: 0.304 allw: 0.632 <3: 0.417 <3w: 0.844 F-measure:(Recall,Precision) 0.455 F-measure:(Recall,PrecisionW) 0.742 F-measure:(0,PrecisionIdeal) 0.588 F-measure:(0,PrecisionIdealW) 0.915 Model 17 Recall: 0.898 Precision: all: 0.327 allw: 0.635 <3: 0.462 <3w: 0.845 F-measure:(Recall,Precision) 0.479 F-measure:(Recall,PrecisionW) 0.744 F-measure:(0,PrecisionIdeal) 0.632 F-measure:(0,PrecisionIdealW) 0.916 Model 18 Recall: 0.932 Precision: all: 0.324 allw: 0.646 <3: 0.455 <3w: 0.827 F-measure:(Recall,Precision) 0.481 F-measure:(Recall,PrecisionW) 0.763 F-measure:(0,PrecisionIdeal) 0.625 F-measure:(0,PrecisionIdealW) 0.906 Model 19 Recall: 0.909 Precision: all: 0.309 allw: 0.57 <3: 0.5 <3w: 0.828 F-measure:(Recall,Precision) 0.462 F-measure:(Recall,PrecisionW) 0.7 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.906 Model 20 Recall: 0.898 Precision: all: 0.335 allw: 0.601 <3: 0.417 <3w: 0.845 F-measure:(Recall,Precision) 0.488 F-measure:(Recall,PrecisionW) 0.72 F-measure:(0,PrecisionIdeal) 0.588 F-measure:(0,PrecisionIdealW) 0.916 For freely-rotating-chain model: Model ave Inconsistent score: 0.523(46/88) Model ave Missing interactions: 0.541 (33/61) weighted: 0.577 (1.25e+04/2.17e+04) <3: 0.615 (8/13) <3w: 0.681 (9.91e+03/1.45e+04) Recall: 0.477 Precision: all: 0.459 allw: 0.423 F-measure:(RecallFree,PrecisionFree) 0.468 F-measure:(ReallFree,PrecisionFreeW) 0.448 # Summary for c_ali.peaks Total simulated peaks: 557 Number of peaks NOT matched in the Peak List: 56 M score = 0.1 Average shift in HX: -0.0025 Average ab-shift in HX: 0.0051(Assignment used: 256) Average shift in X: 0.0068 Average ab-shift in X: 0.043(Assignment used: 197) Average shift in HX2: 0.0019 Average ab-shift in HX2: 0.007(Assignment used: 320) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.0272(54/1982) Model 1 Inconsistent score: 0.0388(77/1982) Model 2 Inconsistent score: 0.0338(67/1982) Model 3 Inconsistent score: 0.0353(70/1982) Model 4 Inconsistent score: 0.0333(66/1982) Model 5 Inconsistent score: 0.0343(68/1982) Model 6 Inconsistent score: 0.0328(65/1982) Model 7 Inconsistent score: 0.0313(62/1982) Model 8 Inconsistent score: 0.0358(71/1982) Model 9 Inconsistent score: 0.0333(66/1982) Model 10 Inconsistent score: 0.0394(78/1982) Model 11 Inconsistent score: 0.0343(68/1982) Model 12 Inconsistent score: 0.0358(71/1982) Model 13 Inconsistent score: 0.0343(68/1982) Model 14 Inconsistent score: 0.0348(69/1982) Model 15 Inconsistent score: 0.0358(71/1982) Model 16 Inconsistent score: 0.0409(81/1982) Model 17 Inconsistent score: 0.0368(73/1982) Model 18 Inconsistent score: 0.0378(75/1982) Model 19 Inconsistent score: 0.0399(79/1982) Model 20 Inconsistent score: 0.0353(70/1982) Model ave Missing interactions: 0.456 (1.29e+03/2831) weighted: 0.109 (9.18e+05/8.44e+06) <3: 0.0794 (34/428) <3w: 0.0507 (2.54e+05/5.02e+06) Model 1 Missing interactions: 0.491 (1.55e+03/3156) weighted: 0.159 (1.69e+06/1.06e+07) <3: 0.0787 (34/432) <3w: 0.0504 (2.59e+05/5.14e+06) Model 2 Missing interactions: 0.499 (1.54e+03/3097) weighted: 0.16 (1.67e+06/1.04e+07) <3: 0.0789 (34/431) <3w: 0.0503 (2.57e+05/5.11e+06) Model 3 Missing interactions: 0.493 (1.54e+03/3120) weighted: 0.152 (1.58e+06/1.04e+07) <3: 0.0791 (34/430) <3w: 0.0504 (2.6e+05/5.15e+06) Model 4 Missing interactions: 0.497 (1.56e+03/3134) weighted: 0.143 (1.5e+06/1.05e+07) <3: 0.0794 (34/428) <3w: 0.0466 (2.39e+05/5.14e+06) Model 5 Missing interactions: 0.496 (1.51e+03/3048) weighted: 0.159 (1.68e+06/1.06e+07) <3: 0.0793 (34/429) <3w: 0.053 (2.7e+05/5.11e+06) Model 6 Missing interactions: 0.488 (1.48e+03/3028) weighted: 0.148 (1.55e+06/1.04e+07) <3: 0.0794 (34/428) <3w: 0.0525 (2.69e+05/5.11e+06) Model 7 Missing interactions: 0.499 (1.58e+03/3158) weighted: 0.15 (1.6e+06/1.06e+07) <3: 0.0794 (34/428) <3w: 0.0498 (2.52e+05/5.06e+06) Model 8 Missing interactions: 0.5 (1.58e+03/3161) weighted: 0.141 (1.45e+06/1.03e+07) <3: 0.0789 (34/431) <3w: 0.048 (2.51e+05/5.23e+06) Model 9 Missing interactions: 0.5 (1.57e+03/3144) weighted: 0.154 (1.61e+06/1.05e+07) <3: 0.0794 (34/428) <3w: 0.052 (2.65e+05/5.1e+06) Model 10 Missing interactions: 0.495 (1.52e+03/3079) weighted: 0.146 (1.53e+06/1.05e+07) <3: 0.0794 (34/428) <3w: 0.0501 (2.55e+05/5.1e+06) Model 11 Missing interactions: 0.485 (1.49e+03/3076) weighted: 0.16 (1.7e+06/1.07e+07) <3: 0.0791 (34/430) <3w: 0.0506 (2.57e+05/5.07e+06) Model 12 Missing interactions: 0.498 (1.55e+03/3111) weighted: 0.164 (1.74e+06/1.06e+07) <3: 0.0791 (34/430) <3w: 0.0499 (2.56e+05/5.12e+06) Model 13 Missing interactions: 0.497 (1.53e+03/3079) weighted: 0.15 (1.55e+06/1.04e+07) <3: 0.0793 (34/429) <3w: 0.0501 (2.56e+05/5.11e+06) Model 14 Missing interactions: 0.5 (1.59e+03/3182) weighted: 0.154 (1.6e+06/1.04e+07) <3: 0.0791 (34/430) <3w: 0.0508 (2.61e+05/5.14e+06) Model 15 Missing interactions: 0.493 (1.52e+03/3075) weighted: 0.15 (1.56e+06/1.04e+07) <3: 0.0794 (34/428) <3w: 0.0462 (2.35e+05/5.08e+06) Model 16 Missing interactions: 0.504 (1.58e+03/3136) weighted: 0.157 (1.62e+06/1.03e+07) <3: 0.0791 (34/430) <3w: 0.0505 (2.6e+05/5.14e+06) Model 17 Missing interactions: 0.49 (1.52e+03/3106) weighted: 0.144 (1.48e+06/1.03e+07) <3: 0.0791 (34/430) <3w: 0.05 (2.59e+05/5.18e+06) Model 18 Missing interactions: 0.498 (1.54e+03/3096) weighted: 0.143 (1.48e+06/1.04e+07) <3: 0.0791 (34/430) <3w: 0.0486 (2.49e+05/5.12e+06) Model 19 Missing interactions: 0.5 (1.57e+03/3137) weighted: 0.153 (1.59e+06/1.04e+07) <3: 0.0791 (34/430) <3w: 0.0507 (2.57e+05/5.07e+06) Model 20 Missing interactions: 0.503 (1.59e+03/3162) weighted: 0.154 (1.63e+06/1.06e+07) <3: 0.0789 (34/431) <3w: 0.0528 (2.7e+05/5.12e+06) Model ave Recall: 0.973 Precision: all: 0.544 allw: 0.891 <3: 0.921 <3w: 0.949 F-measure:(Recall,Precision) 0.698 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 1 Recall: 0.961 Precision: all: 0.509 allw: 0.841 <3: 0.921 <3w: 0.95 F-measure:(Recall,Precision) 0.665 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 2 Recall: 0.966 Precision: all: 0.501 allw: 0.84 <3: 0.921 <3w: 0.95 F-measure:(Recall,Precision) 0.66 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 3 Recall: 0.965 Precision: all: 0.507 allw: 0.848 <3: 0.921 <3w: 0.95 F-measure:(Recall,Precision) 0.665 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 4 Recall: 0.967 Precision: all: 0.503 allw: 0.857 <3: 0.921 <3w: 0.953 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.908 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.976 Model 5 Recall: 0.966 Precision: all: 0.504 allw: 0.841 <3: 0.921 <3w: 0.947 F-measure:(Recall,Precision) 0.663 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.973 Model 6 Recall: 0.967 Precision: all: 0.512 allw: 0.852 <3: 0.921 <3w: 0.947 F-measure:(Recall,Precision) 0.669 F-measure:(Recall,PrecisionW) 0.906 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.973 Model 7 Recall: 0.969 Precision: all: 0.501 allw: 0.85 <3: 0.921 <3w: 0.95 F-measure:(Recall,Precision) 0.66 F-measure:(Recall,PrecisionW) 0.905 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 8 Recall: 0.964 Precision: all: 0.5 allw: 0.859 <3: 0.921 <3w: 0.952 F-measure:(Recall,Precision) 0.658 F-measure:(Recall,PrecisionW) 0.909 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.975 Model 9 Recall: 0.967 Precision: all: 0.5 allw: 0.846 <3: 0.921 <3w: 0.948 F-measure:(Recall,Precision) 0.659 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.973 Model 10 Recall: 0.961 Precision: all: 0.505 allw: 0.854 <3: 0.921 <3w: 0.95 F-measure:(Recall,Precision) 0.662 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 11 Recall: 0.966 Precision: all: 0.515 allw: 0.84 <3: 0.921 <3w: 0.949 F-measure:(Recall,Precision) 0.672 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 12 Recall: 0.964 Precision: all: 0.502 allw: 0.836 <3: 0.921 <3w: 0.95 F-measure:(Recall,Precision) 0.66 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 13 Recall: 0.966 Precision: all: 0.503 allw: 0.85 <3: 0.921 <3w: 0.95 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 14 Recall: 0.965 Precision: all: 0.5 allw: 0.846 <3: 0.921 <3w: 0.949 F-measure:(Recall,Precision) 0.659 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 15 Recall: 0.964 Precision: all: 0.507 allw: 0.85 <3: 0.921 <3w: 0.954 F-measure:(Recall,Precision) 0.665 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.976 Model 16 Recall: 0.959 Precision: all: 0.496 allw: 0.843 <3: 0.921 <3w: 0.949 F-measure:(Recall,Precision) 0.653 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 17 Recall: 0.963 Precision: all: 0.51 allw: 0.856 <3: 0.921 <3w: 0.95 F-measure:(Recall,Precision) 0.667 F-measure:(Recall,PrecisionW) 0.906 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 18 Recall: 0.962 Precision: all: 0.502 allw: 0.857 <3: 0.921 <3w: 0.951 F-measure:(Recall,Precision) 0.659 F-measure:(Recall,PrecisionW) 0.907 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.975 Model 19 Recall: 0.96 Precision: all: 0.5 allw: 0.847 <3: 0.921 <3w: 0.949 F-measure:(Recall,Precision) 0.657 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.974 Model 20 Recall: 0.965 Precision: all: 0.497 allw: 0.846 <3: 0.921 <3w: 0.947 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.959 F-measure:(0,PrecisionIdealW) 0.973 For freely-rotating-chain model: Model ave Inconsistent score: 0.286(566/1982) Model ave Missing interactions: 0.345 (498/1442) weighted: 0.129 (1.5e+05/1.17e+06) <3: 0.0802 (34/424) <3w: 0.0615 (5.32e+04/8.65e+05) Recall: 0.714 Precision: all: 0.655 allw: 0.871 F-measure:(RecallFree,PrecisionFree) 0.683 F-measure:(ReallFree,PrecisionFreeW) 0.785 Final M-score 0.085 58/682 Model ave Final Recall-score for input query structures: 0.969 Final Precision-score for input query structures: 0.909 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.938 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.798 Model 1 Final Recall-score for input query structures: 0.959 Final Precision-score for input query structures: 0.855 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.622 Model 2 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.857 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.907 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.637 Model 3 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.869 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.913 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.668 Model 4 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.876 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.959 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.917 F-score of ideal true structures: 0.979 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.682 Model 5 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.86 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.953 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.909 F-score of ideal true structures: 0.976 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.651 Model 6 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.874 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.954 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.916 F-score of ideal true structures: 0.976 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.688 Model 7 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.869 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.915 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.679 Model 8 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.879 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.958 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.919 F-score of ideal true structures: 0.978 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.696 Model 9 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.867 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.954 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.913 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.668 Model 10 Final Recall-score for input query structures: 0.957 Final Precision-score for input query structures: 0.874 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.914 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.674 Model 11 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.86 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.908 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.642 Model 12 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.862 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.91 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.653 Model 13 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.865 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.912 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.663 Model 14 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.868 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.911 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.658 Model 15 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.868 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.959 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.913 F-score of ideal true structures: 0.979 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.662 Model 16 Final Recall-score for input query structures: 0.959 Final Precision-score for input query structures: 0.863 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.908 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.642 Model 17 Final Recall-score for input query structures: 0.959 Final Precision-score for input query structures: 0.876 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.916 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.684 Model 18 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.878 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.957 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.919 F-score of ideal true structures: 0.978 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.696 Model 19 Final Recall-score for input query structures: 0.959 Final Precision-score for input query structures: 0.865 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.91 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.653 Model 20 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.865 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.954 Final Recall-score for freely-rotating-chain model: 0.701 Final Precision-score for freely-rotating-chain model: 0.888 Summary: F-score of input query structures: 0.911 F-score of ideal true structures: 0.976 F-score of freely-rotating-chain model: 0.784 DP-Score: 0.661 Statistics: =========== NOESY_Assign: User CPU Time: 54.5 sec. Syst CPU Time: 0.58 sec. Other Processes: User CPU Time: 0.53 sec. Syst CPU Time: 0.05 sec. Total Elapsed Time: 55.7 sec.