# created by ASDP Version 1.0 Copyright(C) 2010 # Thu May 9 23:28:44 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/CTR107_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q CTR107_R3Cons_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: 0.0446(82/1840) Model 1 Inconsistent score: 0.0505(93/1840) Model 2 Inconsistent score: 0.0489(90/1840) Model 3 Inconsistent score: 0.0424(78/1840) Model 4 Inconsistent score: 0.0457(84/1840) Model 5 Inconsistent score: 0.0435(80/1840) Model 6 Inconsistent score: 0.0484(89/1840) Model 7 Inconsistent score: 0.05(92/1840) Model 8 Inconsistent score: 0.0478(88/1840) Model 9 Inconsistent score: 0.0538(99/1840) Model 10 Inconsistent score: 0.0446(82/1840) Model 11 Inconsistent score: 0.0505(93/1840) Model 12 Inconsistent score: 0.0538(99/1840) Model 13 Inconsistent score: 0.0435(80/1840) Model 14 Inconsistent score: 0.0505(93/1840) Model 15 Inconsistent score: 0.0484(89/1840) Model 16 Inconsistent score: 0.0451(83/1840) Model 17 Inconsistent score: 0.0511(94/1840) Model 18 Inconsistent score: 0.044(81/1840) Model 19 Inconsistent score: 0.0457(84/1840) Model 20 Inconsistent score: 0.0516(95/1840) Model ave Missing interactions: 0.327 (622/1901) weighted: 0.0445 (2.03e+05/4.56e+06) <3: 0 (0/217) <3w: 0 (0/1.04e+06) Model 1 Missing interactions: 0.392 (851/2169) weighted: 0.0866 (5.25e+05/6.06e+06) <3: 0 (0/220) <3w: 0 (0/1.07e+06) Model 2 Missing interactions: 0.391 (840/2149) weighted: 0.0828 (4.97e+05/6e+06) <3: 0 (0/220) <3w: 0 (0/1.13e+06) Model 3 Missing interactions: 0.383 (823/2147) weighted: 0.079 (4.69e+05/5.94e+06) <3: 0 (0/223) <3w: 0 (0/1.11e+06) Model 4 Missing interactions: 0.399 (876/2198) weighted: 0.0713 (4.41e+05/6.18e+06) <3: 0 (0/223) <3w: 0 (0/1.07e+06) Model 5 Missing interactions: 0.392 (858/2186) weighted: 0.096 (5.77e+05/6.02e+06) <3: 0 (0/220) <3w: 0 (0/1.12e+06) Model 6 Missing interactions: 0.386 (827/2140) weighted: 0.0909 (5.62e+05/6.19e+06) <3: 0 (0/225) <3w: 0 (0/1.14e+06) Model 7 Missing interactions: 0.387 (838/2165) weighted: 0.0782 (4.64e+05/5.93e+06) <3: 0 (0/231) <3w: 0 (0/1.06e+06) Model 8 Missing interactions: 0.381 (811/2129) weighted: 0.0821 (5.06e+05/6.16e+06) <3: 0 (0/219) <3w: 0 (0/1.1e+06) Model 9 Missing interactions: 0.376 (808/2149) weighted: 0.0742 (4.42e+05/5.96e+06) <3: 0 (0/221) <3w: 0 (0/1.11e+06) Model 10 Missing interactions: 0.387 (840/2168) weighted: 0.0754 (4.53e+05/6.02e+06) <3: 0 (0/227) <3w: 0 (0/1.12e+06) Model 11 Missing interactions: 0.398 (859/2158) weighted: 0.095 (5.87e+05/6.18e+06) <3: 0 (0/231) <3w: 0 (0/1.12e+06) Model 12 Missing interactions: 0.372 (777/2086) weighted: 0.0725 (4.29e+05/5.92e+06) <3: 0 (0/220) <3w: 0 (0/1.09e+06) Model 13 Missing interactions: 0.38 (811/2132) weighted: 0.0673 (4.01e+05/5.96e+06) <3: 0 (0/223) <3w: 0 (0/1.09e+06) Model 14 Missing interactions: 0.379 (805/2125) weighted: 0.0775 (4.49e+05/5.79e+06) <3: 0 (0/220) <3w: 0 (0/1.13e+06) Model 15 Missing interactions: 0.389 (843/2167) weighted: 0.0784 (4.82e+05/6.15e+06) <3: 0 (0/222) <3w: 0 (0/1.15e+06) Model 16 Missing interactions: 0.381 (816/2142) weighted: 0.0872 (5.28e+05/6.05e+06) <3: 0 (0/223) <3w: 0 (0/1.11e+06) Model 17 Missing interactions: 0.393 (866/2201) weighted: 0.094 (5.6e+05/5.95e+06) <3: 0 (0/224) <3w: 0 (0/1.15e+06) Model 18 Missing interactions: 0.375 (797/2124) weighted: 0.0799 (4.69e+05/5.87e+06) <3: 0 (0/225) <3w: 0 (0/1.1e+06) Model 19 Missing interactions: 0.39 (840/2153) weighted: 0.0812 (4.83e+05/5.95e+06) <3: 0 (0/225) <3w: 0 (0/1.1e+06) Model 20 Missing interactions: 0.399 (871/2181) weighted: 0.102 (6.51e+05/6.4e+06) <3: 0 (0/224) <3w: 0 (0/1.13e+06) Model ave Recall: 0.955 Precision: all: 0.673 allw: 0.956 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.79 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.949 Precision: all: 0.608 allw: 0.913 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.741 F-measure:(Recall,PrecisionW) 0.931 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.951 Precision: all: 0.609 allw: 0.917 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.743 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.958 Precision: all: 0.617 allw: 0.921 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.75 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.954 Precision: all: 0.601 allw: 0.929 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.738 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.957 Precision: all: 0.608 allw: 0.904 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.743 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.952 Precision: all: 0.614 allw: 0.909 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.746 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.95 Precision: all: 0.613 allw: 0.922 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.745 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.952 Precision: all: 0.619 allw: 0.918 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.75 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.946 Precision: all: 0.624 allw: 0.926 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.752 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.955 Precision: all: 0.613 allw: 0.925 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.746 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.949 Precision: all: 0.602 allw: 0.905 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.737 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.946 Precision: all: 0.628 allw: 0.928 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.755 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.957 Precision: all: 0.62 allw: 0.933 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.752 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.949 Precision: all: 0.621 allw: 0.922 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.751 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.952 Precision: all: 0.611 allw: 0.922 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.744 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.955 Precision: all: 0.619 allw: 0.913 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.751 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.949 Precision: all: 0.607 allw: 0.906 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.74 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.956 Precision: all: 0.625 allw: 0.92 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.756 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.954 Precision: all: 0.61 allw: 0.919 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.744 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.948 Precision: all: 0.601 allw: 0.898 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.735 F-measure:(Recall,PrecisionW) 0.923 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: 0.0275(145/5264) Model 1 Inconsistent score: 0.0275(145/5264) Model 2 Inconsistent score: 0.0239(126/5264) Model 3 Inconsistent score: 0.0249(131/5264) Model 4 Inconsistent score: 0.0268(141/5264) Model 5 Inconsistent score: 0.0241(127/5264) Model 6 Inconsistent score: 0.0245(129/5264) Model 7 Inconsistent score: 0.026(137/5264) Model 8 Inconsistent score: 0.0274(144/5264) Model 9 Inconsistent score: 0.0304(160/5264) Model 10 Inconsistent score: 0.0247(130/5264) Model 11 Inconsistent score: 0.0268(141/5264) Model 12 Inconsistent score: 0.0274(144/5264) Model 13 Inconsistent score: 0.0268(141/5264) Model 14 Inconsistent score: 0.0293(154/5264) Model 15 Inconsistent score: 0.0264(139/5264) Model 16 Inconsistent score: 0.0291(153/5264) Model 17 Inconsistent score: 0.0255(134/5264) Model 18 Inconsistent score: 0.0266(140/5264) Model 19 Inconsistent score: 0.0266(140/5264) Model 20 Inconsistent score: 0.0327(172/5264) Model ave Missing interactions: 0.454 (2.54e+03/5590) weighted: 0.0687 (9.18e+05/1.34e+07) <3: 0 (0/773) <3w: 0 (0/7.73e+06) Model 1 Missing interactions: 0.521 (3.58e+03/6877) weighted: 0.186 (3.57e+06/1.91e+07) <3: 0 (0/776) <3w: 0 (0/8e+06) Model 2 Missing interactions: 0.517 (3.55e+03/6862) weighted: 0.182 (3.46e+06/1.9e+07) <3: 0 (0/776) <3w: 0 (0/8.14e+06) Model 3 Missing interactions: 0.514 (3.57e+03/6933) weighted: 0.178 (3.39e+06/1.91e+07) <3: 0 (0/779) <3w: 0 (0/8.13e+06) Model 4 Missing interactions: 0.528 (3.66e+03/6934) weighted: 0.187 (3.65e+06/1.95e+07) <3: 0 (0/779) <3w: 0 (0/7.99e+06) Model 5 Missing interactions: 0.519 (3.58e+03/6882) weighted: 0.179 (3.4e+06/1.91e+07) <3: 0 (0/776) <3w: 0 (0/8.01e+06) Model 6 Missing interactions: 0.514 (3.53e+03/6868) weighted: 0.182 (3.52e+06/1.94e+07) <3: 0 (0/781) <3w: 0 (0/8.11e+06) Model 7 Missing interactions: 0.527 (3.68e+03/6995) weighted: 0.191 (3.73e+06/1.95e+07) <3: 0 (0/787) <3w: 0 (0/8.04e+06) Model 8 Missing interactions: 0.525 (3.6e+03/6865) weighted: 0.199 (3.88e+06/1.95e+07) <3: 0 (0/775) <3w: 0 (0/7.97e+06) Model 9 Missing interactions: 0.519 (3.52e+03/6784) weighted: 0.193 (3.75e+06/1.95e+07) <3: 0 (0/777) <3w: 0 (0/8.1e+06) Model 10 Missing interactions: 0.525 (3.68e+03/7004) weighted: 0.157 (2.99e+06/1.91e+07) <3: 0 (0/783) <3w: 0 (0/8.07e+06) Model 11 Missing interactions: 0.522 (3.58e+03/6846) weighted: 0.19 (3.79e+06/1.99e+07) <3: 0 (0/787) <3w: 0 (0/8.14e+06) Model 12 Missing interactions: 0.513 (3.42e+03/6680) weighted: 0.178 (3.34e+06/1.88e+07) <3: 0 (0/776) <3w: 0 (0/8.02e+06) Model 13 Missing interactions: 0.521 (3.56e+03/6840) weighted: 0.176 (3.4e+06/1.93e+07) <3: 0 (0/779) <3w: 0 (0/8.07e+06) Model 14 Missing interactions: 0.515 (3.52e+03/6848) weighted: 0.177 (3.33e+06/1.88e+07) <3: 0 (0/776) <3w: 0 (0/8.14e+06) Model 15 Missing interactions: 0.511 (3.48e+03/6813) weighted: 0.19 (3.74e+06/1.97e+07) <3: 0 (0/778) <3w: 0 (0/8.16e+06) Model 16 Missing interactions: 0.518 (3.56e+03/6876) weighted: 0.197 (3.79e+06/1.93e+07) <3: 0 (0/779) <3w: 0 (0/8.03e+06) Model 17 Missing interactions: 0.528 (3.76e+03/7123) weighted: 0.191 (3.78e+06/1.97e+07) <3: 0 (0/780) <3w: 0 (0/7.99e+06) Model 18 Missing interactions: 0.516 (3.5e+03/6780) weighted: 0.186 (3.56e+06/1.91e+07) <3: 0 (0/781) <3w: 0 (0/8.05e+06) Model 19 Missing interactions: 0.516 (3.54e+03/6860) weighted: 0.181 (3.45e+06/1.9e+07) <3: 0 (0/781) <3w: 0 (0/8.02e+06) Model 20 Missing interactions: 0.524 (3.6e+03/6871) weighted: 0.214 (4.27e+06/2e+07) <3: 0 (0/780) <3w: 0 (0/8.1e+06) Model ave Recall: 0.972 Precision: all: 0.546 allw: 0.931 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.699 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.972 Precision: all: 0.479 allw: 0.814 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.976 Precision: all: 0.483 allw: 0.818 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.975 Precision: all: 0.486 allw: 0.822 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.648 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.973 Precision: all: 0.472 allw: 0.813 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.976 Precision: all: 0.481 allw: 0.821 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.975 Precision: all: 0.486 allw: 0.818 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.649 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.974 Precision: all: 0.473 allw: 0.809 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.973 Precision: all: 0.475 allw: 0.801 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.638 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.97 Precision: all: 0.481 allw: 0.807 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.975 Precision: all: 0.475 allw: 0.843 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.639 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.973 Precision: all: 0.478 allw: 0.81 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.973 Precision: all: 0.487 allw: 0.822 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.649 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.973 Precision: all: 0.479 allw: 0.824 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.971 Precision: all: 0.485 allw: 0.823 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.974 Precision: all: 0.489 allw: 0.81 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.971 Precision: all: 0.482 allw: 0.803 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.975 Precision: all: 0.472 allw: 0.809 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.973 Precision: all: 0.484 allw: 0.814 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.973 Precision: all: 0.484 allw: 0.819 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.967 Precision: all: 0.476 allw: 0.786 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.638 F-measure:(Recall,PrecisionW) 0.867 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: 0.968 Final Precision-score for input query structures: 0.937 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: 0.953 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.722 Model 1 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.838 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 2 Final Recall-score for input query structures: 0.97 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: 0.901 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.414 Model 3 Final Recall-score for input query structures: 0.971 Final Precision-score for input query structures: 0.846 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: 0.904 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.432 Model 4 Final Recall-score for input query structures: 0.968 Final Precision-score for input query structures: 0.841 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: 0.9 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.408 Model 5 Final Recall-score for input query structures: 0.971 Final Precision-score for input query structures: 0.841 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: 0.901 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.414 Model 6 Final Recall-score for input query structures: 0.969 Final Precision-score for input query structures: 0.84 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: 0.9 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.408 Model 7 Final Recall-score for input query structures: 0.968 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: 0.897 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.391 Model 8 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 9 Final Recall-score for input query structures: 0.964 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 10 Final Recall-score for input query structures: 0.97 Final Precision-score for input query structures: 0.863 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: 0.913 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.485 Model 11 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.832 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 12 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.848 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: 0.903 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.426 Model 13 Final Recall-score for input query structures: 0.969 Final Precision-score for input query structures: 0.849 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: 0.905 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.438 Model 14 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.846 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: 0.902 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.42 Model 15 Final Recall-score for input query structures: 0.968 Final Precision-score for input query structures: 0.837 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: 0.898 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.396 Model 16 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.83 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 17 Final Recall-score for input query structures: 0.968 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: 0.894 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.373 Model 18 Final Recall-score for input query structures: 0.969 Final Precision-score for input query structures: 0.839 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 19 Final Recall-score for input query structures: 0.968 Final Precision-score for input query structures: 0.843 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: 0.901 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.414 Model 20 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.813 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: 0.882 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.831 DP-Score: 0.302 Statistics: =========== NOESY_Assign: User CPU Time: 99.7 sec. Syst CPU Time: 1.84 sec. Other Processes: User CPU Time: 1.31 sec. Syst CPU Time: 0.07 sec. Total Elapsed Time: 103 sec.