# created by ASDP Version 1.0 Copyright(C) 2010 # Thu May 9 23:13:48 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/CTR107_R3_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q CTR107_R3_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 218 Number of peaks NOT matched in the Peak List: 1 M score = 0.0046 Average shift in HX: 0.00011 Average ab-shift in HX: 0.00016(Assignment used: 148) Average shift in X: 0 Average ab-shift in X: 0(Assignment used: 144) Average shift in HX2: 0.00019 Average ab-shift in HX2: 0.00072(Assignment used: 211) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0538(99/1840) Model 1 Inconsistent score: 0.0391(72/1840) Model 2 Inconsistent score: 0.0462(85/1840) Model 3 Inconsistent score: 0.0451(83/1840) Model 4 Inconsistent score: 0.0478(88/1840) Model 5 Inconsistent score: 0.0402(74/1840) Model 6 Inconsistent score: 0.0424(78/1840) Model 7 Inconsistent score: 0.044(81/1840) Model 8 Inconsistent score: 0.0467(86/1840) Model 9 Inconsistent score: 0.0495(91/1840) Model 10 Inconsistent score: 0.0489(90/1840) Model 11 Inconsistent score: 0.0478(88/1840) Model 12 Inconsistent score: 0.05(92/1840) Model 13 Inconsistent score: 0.037(68/1840) Model 14 Inconsistent score: 0.0516(95/1840) Model 15 Inconsistent score: 0.0489(90/1840) Model 16 Inconsistent score: 0.0473(87/1840) Model 17 Inconsistent score: 0.0451(83/1840) Model 18 Inconsistent score: 0.0484(89/1840) Model 19 Inconsistent score: 0.0429(79/1840) Model 20 Inconsistent score: 0.0478(88/1840) Model ave Missing interactions: 0.322 (593/1839) weighted: 0.0398 (1.7e+05/4.28e+06) <3: 0.00457 (1/219) <3w: 6.25e-05 (64.4/1.03e+06) Model 1 Missing interactions: 0.398 (891/2236) weighted: 0.0831 (5.32e+05/6.4e+06) <3: 0 (0/226) <3w: 0 (0/1.11e+06) Model 2 Missing interactions: 0.401 (881/2195) weighted: 0.0961 (6.14e+05/6.39e+06) <3: 0 (0/225) <3w: 0 (0/1.11e+06) Model 3 Missing interactions: 0.388 (853/2196) weighted: 0.0914 (5.72e+05/6.26e+06) <3: 0 (0/232) <3w: 0 (0/1.15e+06) Model 4 Missing interactions: 0.401 (872/2172) weighted: 0.0939 (5.88e+05/6.26e+06) <3: 0 (0/225) <3w: 0 (0/1.11e+06) Model 5 Missing interactions: 0.404 (910/2253) weighted: 0.0844 (5.17e+05/6.13e+06) <3: 0 (0/226) <3w: 0 (0/1.06e+06) Model 6 Missing interactions: 0.398 (883/2219) weighted: 0.089 (5.33e+05/5.99e+06) <3: 0 (0/221) <3w: 0 (0/1.12e+06) Model 7 Missing interactions: 0.39 (848/2173) weighted: 0.0887 (5.52e+05/6.22e+06) <3: 0 (0/225) <3w: 0 (0/1.1e+06) Model 8 Missing interactions: 0.399 (868/2178) weighted: 0.0868 (5.47e+05/6.3e+06) <3: 0.00448 (1/223) <3w: 5.84e-05 (64.8/1.11e+06) Model 9 Missing interactions: 0.391 (853/2180) weighted: 0.0971 (5.99e+05/6.17e+06) <3: 0 (0/226) <3w: 0 (0/1.1e+06) Model 10 Missing interactions: 0.416 (922/2215) weighted: 0.113 (7.07e+05/6.28e+06) <3: 0 (0/221) <3w: 0 (0/1.11e+06) Model 11 Missing interactions: 0.396 (875/2208) weighted: 0.0838 (5.27e+05/6.28e+06) <3: 0 (0/222) <3w: 0 (0/1.13e+06) Model 12 Missing interactions: 0.401 (884/2207) weighted: 0.0932 (5.7e+05/6.12e+06) <3: 0 (0/226) <3w: 0 (0/1.14e+06) Model 13 Missing interactions: 0.39 (855/2190) weighted: 0.0709 (4.18e+05/5.89e+06) <3: 0 (0/222) <3w: 0 (0/1.13e+06) Model 14 Missing interactions: 0.4 (884/2211) weighted: 0.0965 (6.14e+05/6.36e+06) <3: 0 (0/230) <3w: 0 (0/1.05e+06) Model 15 Missing interactions: 0.397 (877/2208) weighted: 0.0983 (6.38e+05/6.49e+06) <3: 0 (0/229) <3w: 0 (0/1.15e+06) Model 16 Missing interactions: 0.399 (872/2188) weighted: 0.0866 (5.32e+05/6.14e+06) <3: 0 (0/223) <3w: 0 (0/1.14e+06) Model 17 Missing interactions: 0.403 (905/2244) weighted: 0.0959 (5.77e+05/6.02e+06) <3: 0 (0/234) <3w: 0 (0/1.14e+06) Model 18 Missing interactions: 0.399 (879/2205) weighted: 0.0909 (5.52e+05/6.08e+06) <3: 0 (0/225) <3w: 0 (0/1.11e+06) Model 19 Missing interactions: 0.411 (911/2214) weighted: 0.103 (6.43e+05/6.25e+06) <3: 0 (0/222) <3w: 0 (0/1.11e+06) Model 20 Missing interactions: 0.406 (905/2228) weighted: 0.0999 (6.24e+05/6.24e+06) <3: 0 (0/226) <3w: 0 (0/1.13e+06) Model ave Recall: 0.946 Precision: all: 0.678 allw: 0.96 <3: 0.995 <3w: 1 F-measure:(Recall,Precision) 0.79 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.961 Precision: all: 0.602 allw: 0.917 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.74 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.954 Precision: all: 0.599 allw: 0.904 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.736 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.955 Precision: all: 0.612 allw: 0.909 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.746 F-measure:(Recall,PrecisionW) 0.931 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.952 Precision: all: 0.599 allw: 0.906 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.735 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.96 Precision: all: 0.596 allw: 0.916 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.735 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.958 Precision: all: 0.602 allw: 0.911 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.739 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.956 Precision: all: 0.61 allw: 0.911 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.745 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.953 Precision: all: 0.601 allw: 0.913 <3: 0.996 <3w: 1 F-measure:(Recall,Precision) 0.738 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.951 Precision: all: 0.609 allw: 0.903 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.742 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.951 Precision: all: 0.584 allw: 0.887 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.723 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.952 Precision: all: 0.604 allw: 0.916 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.739 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.95 Precision: all: 0.599 allw: 0.907 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.735 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.963 Precision: all: 0.61 allw: 0.929 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.747 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.948 Precision: all: 0.6 allw: 0.904 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.735 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.951 Precision: all: 0.603 allw: 0.902 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.738 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.953 Precision: all: 0.601 allw: 0.913 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.737 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.955 Precision: all: 0.597 allw: 0.904 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.734 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.952 Precision: all: 0.601 allw: 0.909 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.737 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.957 Precision: all: 0.589 allw: 0.897 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.729 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.952 Precision: all: 0.594 allw: 0.9 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.731 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.234(430/1840) Model ave Missing interactions: 0.108 (113/1050) weighted: 0.0301 (1.83e+04/6.08e+05) <3: 0.00962 (2/208) <3w: 0.00389 (1.25e+03/3.2e+05) Recall: 0.766 Precision: all: 0.892 allw: 0.97 F-measure:(RecallFree,PrecisionFree) 0.825 F-measure:(ReallFree,PrecisionFreeW) 0.856 # Summary for c.peaks Total simulated peaks: 1012 Number of peaks NOT matched in the Peak List: 1 M score = 0.00099 Average shift in HX: 0.00035 Average ab-shift in HX: 0.00069(Assignment used: 537) Average shift in X: 0 Average ab-shift in X: 4.8e-05(Assignment used: 418) Average shift in HX2: 0.0003 Average ab-shift in HX2: 0.00061(Assignment used: 646) #For peaklist c.peaks: Rmax: 5 Model ave Inconsistent score: 0.0397(209/5264) Model 1 Inconsistent score: 0.0302(159/5264) Model 2 Inconsistent score: 0.031(163/5264) Model 3 Inconsistent score: 0.0327(172/5264) Model 4 Inconsistent score: 0.0312(164/5264) Model 5 Inconsistent score: 0.0319(168/5264) Model 6 Inconsistent score: 0.0293(154/5264) Model 7 Inconsistent score: 0.0323(170/5264) Model 8 Inconsistent score: 0.0306(161/5264) Model 9 Inconsistent score: 0.0344(181/5264) Model 10 Inconsistent score: 0.0344(181/5264) Model 11 Inconsistent score: 0.0334(176/5264) Model 12 Inconsistent score: 0.0291(153/5264) Model 13 Inconsistent score: 0.03(158/5264) Model 14 Inconsistent score: 0.0344(181/5264) Model 15 Inconsistent score: 0.0327(172/5264) Model 16 Inconsistent score: 0.03(158/5264) Model 17 Inconsistent score: 0.0325(171/5264) Model 18 Inconsistent score: 0.0351(185/5264) Model 19 Inconsistent score: 0.0334(176/5264) Model 20 Inconsistent score: 0.0312(164/5264) Model ave Missing interactions: 0.442 (2.34e+03/5282) weighted: 0.0603 (7.65e+05/1.27e+07) <3: 0 (0/773) <3w: 0 (0/7.75e+06) Model 1 Missing interactions: 0.533 (3.77e+03/7062) weighted: 0.199 (3.99e+06/2.01e+07) <3: 0 (0/782) <3w: 0 (0/8.15e+06) Model 2 Missing interactions: 0.531 (3.74e+03/7041) weighted: 0.208 (4.2e+06/2.01e+07) <3: 0 (0/781) <3w: 0 (0/8.14e+06) Model 3 Missing interactions: 0.53 (3.69e+03/6960) weighted: 0.194 (3.79e+06/1.96e+07) <3: 0 (0/788) <3w: 0 (0/8.23e+06) Model 4 Missing interactions: 0.529 (3.67e+03/6930) weighted: 0.187 (3.73e+06/1.99e+07) <3: 0 (0/781) <3w: 0 (0/8.12e+06) Model 5 Missing interactions: 0.548 (4.03e+03/7359) weighted: 0.231 (4.77e+06/2.06e+07) <3: 0 (0/782) <3w: 0 (0/8.1e+06) Model 6 Missing interactions: 0.527 (3.67e+03/6957) weighted: 0.199 (3.92e+06/1.97e+07) <3: 0 (0/775) <3w: 0 (0/8.14e+06) Model 7 Missing interactions: 0.528 (3.67e+03/6949) weighted: 0.205 (4.11e+06/2e+07) <3: 0 (0/779) <3w: 0 (0/8.09e+06) Model 8 Missing interactions: 0.531 (3.74e+03/7049) weighted: 0.2 (3.9e+06/1.95e+07) <3: 0 (0/779) <3w: 0 (0/8.11e+06) Model 9 Missing interactions: 0.532 (3.67e+03/6904) weighted: 0.205 (4.05e+06/1.98e+07) <3: 0 (0/782) <3w: 0 (0/8.06e+06) Model 10 Missing interactions: 0.538 (3.8e+03/7057) weighted: 0.216 (4.33e+06/2.01e+07) <3: 0 (0/777) <3w: 0 (0/8.19e+06) Model 11 Missing interactions: 0.54 (3.83e+03/7087) weighted: 0.21 (4.25e+06/2.03e+07) <3: 0 (0/778) <3w: 0 (0/8.07e+06) Model 12 Missing interactions: 0.533 (3.79e+03/7116) weighted: 0.195 (3.84e+06/1.97e+07) <3: 0 (0/782) <3w: 0 (0/8.14e+06) Model 13 Missing interactions: 0.523 (3.64e+03/6957) weighted: 0.193 (3.71e+06/1.92e+07) <3: 0 (0/776) <3w: 0 (0/8.11e+06) Model 14 Missing interactions: 0.528 (3.7e+03/7004) weighted: 0.218 (4.29e+06/1.97e+07) <3: 0 (0/786) <3w: 0 (0/8.11e+06) Model 15 Missing interactions: 0.526 (3.68e+03/7007) weighted: 0.199 (3.95e+06/1.99e+07) <3: 0 (0/785) <3w: 0 (0/8.26e+06) Model 16 Missing interactions: 0.525 (3.68e+03/7018) weighted: 0.181 (3.49e+06/1.93e+07) <3: 0 (0/779) <3w: 0 (0/8.1e+06) Model 17 Missing interactions: 0.54 (3.91e+03/7238) weighted: 0.202 (4.01e+06/1.99e+07) <3: 0 (0/790) <3w: 0 (0/8.16e+06) Model 18 Missing interactions: 0.531 (3.7e+03/6970) weighted: 0.211 (4.16e+06/1.97e+07) <3: 0 (0/779) <3w: 0 (0/8.1e+06) Model 19 Missing interactions: 0.534 (3.78e+03/7074) weighted: 0.203 (4e+06/1.97e+07) <3: 0 (0/776) <3w: 0 (0/8.09e+06) Model 20 Missing interactions: 0.532 (3.76e+03/7076) weighted: 0.224 (4.61e+06/2.06e+07) <3: 0 (0/782) <3w: 0 (0/8.15e+06) Model ave Recall: 0.96 Precision: all: 0.558 allw: 0.94 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.706 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.97 Precision: all: 0.467 allw: 0.801 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.969 Precision: all: 0.469 allw: 0.792 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.871 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.967 Precision: all: 0.47 allw: 0.806 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.969 Precision: all: 0.471 allw: 0.813 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.968 Precision: all: 0.452 allw: 0.769 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.616 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.971 Precision: all: 0.473 allw: 0.801 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.968 Precision: all: 0.472 allw: 0.795 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.635 F-measure:(Recall,PrecisionW) 0.873 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.969 Precision: all: 0.469 allw: 0.8 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.966 Precision: all: 0.468 allw: 0.795 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.631 F-measure:(Recall,PrecisionW) 0.872 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.966 Precision: all: 0.462 allw: 0.784 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.625 F-measure:(Recall,PrecisionW) 0.865 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.967 Precision: all: 0.46 allw: 0.79 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.623 F-measure:(Recall,PrecisionW) 0.87 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.971 Precision: all: 0.467 allw: 0.805 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.631 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.97 Precision: all: 0.477 allw: 0.807 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.639 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.966 Precision: all: 0.472 allw: 0.782 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.634 F-measure:(Recall,PrecisionW) 0.864 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.967 Precision: all: 0.474 allw: 0.801 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.97 Precision: all: 0.475 allw: 0.819 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.638 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.968 Precision: all: 0.46 allw: 0.798 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.623 F-measure:(Recall,PrecisionW) 0.875 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.965 Precision: all: 0.469 allw: 0.789 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.631 F-measure:(Recall,PrecisionW) 0.868 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.967 Precision: all: 0.466 allw: 0.797 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.874 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.969 Precision: all: 0.468 allw: 0.776 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.631 F-measure:(Recall,PrecisionW) 0.862 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.266(1400/5264) Model ave Missing interactions: 0.255 (654/2565) weighted: 0.0642 (1.17e+05/1.83e+06) <3: 0 (0/764) <3w: 0 (0/1.34e+06) Recall: 0.734 Precision: all: 0.745 allw: 0.936 F-measure:(RecallFree,PrecisionFree) 0.739 F-measure:(ReallFree,PrecisionFreeW) 0.823 Final M-score 0.00163 2/1.23e+03 Model ave Final Recall-score for input query structures: 0.957 Final Precision-score for input query structures: 0.945 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.951 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.71 Model 1 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.829 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.893 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.367 Model 2 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.819 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.886 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.325 Model 3 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.831 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.893 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.367 Model 4 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.835 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.895 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.379 Model 5 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.802 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.877 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.272 Model 6 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.826 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.891 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.355 Model 7 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.823 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.888 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.337 Model 8 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.828 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.891 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.355 Model 9 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.821 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.886 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.325 Model 10 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.809 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.879 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.284 Model 11 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.82 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.886 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.325 Model 12 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.829 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.892 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.361 Model 13 Final Recall-score for input query structures: 0.968 Final Precision-score for input query structures: 0.836 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.897 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.391 Model 14 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.812 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.88 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.29 Model 15 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.826 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.889 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.343 Model 16 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.842 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.402 Model 17 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.823 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.888 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.337 Model 18 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.817 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.883 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.308 Model 19 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.821 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.887 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.331 Model 20 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.805 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.742 Final Precision-score for freely-rotating-chain model: 0.944 Summary: F-score of input query structures: 0.878 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.278 Statistics: =========== NOESY_Assign: User CPU Time: 101 sec. Syst CPU Time: 1.79 sec. Other Processes: User CPU Time: 1.3 sec. Syst CPU Time: 0.07 sec. Total Elapsed Time: 105 sec.