# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 01:21:33 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/DHR29B_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q DHR29B_NMR_em_bcr3.pdb.iupac # Summary for c.peaks Total simulated peaks: 825 Number of peaks NOT matched in the Peak List: 103 M score = 0.12 Average shift in HX: -3.3e-05 Average ab-shift in HX: 0.0083(Assignment used: 297) Average shift in X: 0.025 Average ab-shift in X: 0.069(Assignment used: 234) Average shift in HX2: 0.004 Average ab-shift in HX2: 0.011(Assignment used: 312) #For peaklist c.peaks: Rmax: 5 Model ave Inconsistent score: 0.0472(96/2035) Model 1 Inconsistent score: 0.0501(102/2035) Model 2 Inconsistent score: 0.0482(98/2035) Model 3 Inconsistent score: 0.0506(103/2035) Model 4 Inconsistent score: 0.0477(97/2035) Model 5 Inconsistent score: 0.0462(94/2035) Model 6 Inconsistent score: 0.0511(104/2035) Model 7 Inconsistent score: 0.0511(104/2035) Model 8 Inconsistent score: 0.0496(101/2035) Model 9 Inconsistent score: 0.0486(99/2035) Model 10 Inconsistent score: 0.0486(99/2035) Model 11 Inconsistent score: 0.0472(96/2035) Model 12 Inconsistent score: 0.0486(99/2035) Model 13 Inconsistent score: 0.0491(100/2035) Model 14 Inconsistent score: 0.0511(104/2035) Model 15 Inconsistent score: 0.0531(108/2035) Model 16 Inconsistent score: 0.0491(100/2035) Model 17 Inconsistent score: 0.0472(96/2035) Model 18 Inconsistent score: 0.0482(98/2035) Model 19 Inconsistent score: 0.0506(103/2035) Model 20 Inconsistent score: 0.0545(111/2035) Model ave Missing interactions: 0.481 (1.86e+03/3873) weighted: 0.121 (1.25e+06/1.03e+07) <3: 0.127 (75/589) <3w: 0.0506 (2.94e+05/5.81e+06) Model 1 Missing interactions: 0.506 (2.13e+03/4210) weighted: 0.167 (2.16e+06/1.29e+07) <3: 0.126 (75/596) <3w: 0.0513 (3.02e+05/5.89e+06) Model 2 Missing interactions: 0.51 (2.14e+03/4190) weighted: 0.173 (2.22e+06/1.29e+07) <3: 0.127 (75/590) <3w: 0.0486 (2.86e+05/5.89e+06) Model 3 Missing interactions: 0.509 (2.14e+03/4209) weighted: 0.171 (2.16e+06/1.27e+07) <3: 0.127 (75/590) <3w: 0.0511 (3.03e+05/5.93e+06) Model 4 Missing interactions: 0.499 (2.06e+03/4125) weighted: 0.153 (1.93e+06/1.26e+07) <3: 0.126 (75/594) <3w: 0.0506 (2.99e+05/5.92e+06) Model 5 Missing interactions: 0.51 (2.16e+03/4242) weighted: 0.163 (2.09e+06/1.28e+07) <3: 0.127 (75/591) <3w: 0.05 (2.93e+05/5.86e+06) Model 6 Missing interactions: 0.508 (2.12e+03/4167) weighted: 0.166 (2.13e+06/1.28e+07) <3: 0.126 (75/594) <3w: 0.0498 (2.91e+05/5.84e+06) Model 7 Missing interactions: 0.508 (2.11e+03/4148) weighted: 0.171 (2.13e+06/1.25e+07) <3: 0.127 (75/592) <3w: 0.0489 (2.86e+05/5.84e+06) Model 8 Missing interactions: 0.499 (2.04e+03/4096) weighted: 0.166 (2.07e+06/1.25e+07) <3: 0.127 (75/591) <3w: 0.0494 (2.91e+05/5.88e+06) Model 9 Missing interactions: 0.505 (2.12e+03/4202) weighted: 0.158 (1.96e+06/1.24e+07) <3: 0.127 (75/589) <3w: 0.0503 (2.96e+05/5.89e+06) Model 10 Missing interactions: 0.507 (2.13e+03/4207) weighted: 0.166 (2.08e+06/1.25e+07) <3: 0.126 (75/594) <3w: 0.0491 (2.89e+05/5.88e+06) Model 11 Missing interactions: 0.502 (2.08e+03/4144) weighted: 0.166 (2.14e+06/1.29e+07) <3: 0.126 (75/594) <3w: 0.0486 (2.88e+05/5.92e+06) Model 12 Missing interactions: 0.517 (2.17e+03/4197) weighted: 0.173 (2.22e+06/1.28e+07) <3: 0.126 (75/593) <3w: 0.05 (2.92e+05/5.84e+06) Model 13 Missing interactions: 0.512 (2.16e+03/4209) weighted: 0.172 (2.21e+06/1.29e+07) <3: 0.127 (75/591) <3w: 0.0491 (2.9e+05/5.91e+06) Model 14 Missing interactions: 0.506 (2.13e+03/4214) weighted: 0.159 (1.99e+06/1.25e+07) <3: 0.127 (75/592) <3w: 0.0491 (2.9e+05/5.9e+06) Model 15 Missing interactions: 0.517 (2.18e+03/4225) weighted: 0.173 (2.15e+06/1.25e+07) <3: 0.126 (75/595) <3w: 0.0487 (2.82e+05/5.79e+06) Model 16 Missing interactions: 0.504 (2.09e+03/4136) weighted: 0.153 (1.92e+06/1.26e+07) <3: 0.126 (75/596) <3w: 0.0499 (2.95e+05/5.92e+06) Model 17 Missing interactions: 0.507 (2.09e+03/4117) weighted: 0.165 (2.09e+06/1.27e+07) <3: 0.126 (75/593) <3w: 0.0494 (2.89e+05/5.85e+06) Model 18 Missing interactions: 0.505 (2.09e+03/4135) weighted: 0.181 (2.3e+06/1.27e+07) <3: 0.127 (75/592) <3w: 0.0506 (2.96e+05/5.84e+06) Model 19 Missing interactions: 0.501 (2.08e+03/4148) weighted: 0.156 (1.94e+06/1.25e+07) <3: 0.127 (75/591) <3w: 0.0493 (2.91e+05/5.9e+06) Model 20 Missing interactions: 0.513 (2.17e+03/4219) weighted: 0.162 (2.08e+06/1.29e+07) <3: 0.126 (75/594) <3w: 0.0499 (2.93e+05/5.87e+06) Model ave Recall: 0.953 Precision: all: 0.519 allw: 0.879 <3: 0.873 <3w: 0.949 F-measure:(Recall,Precision) 0.672 F-measure:(Recall,PrecisionW) 0.914 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.974 Model 1 Recall: 0.95 Precision: all: 0.494 allw: 0.833 <3: 0.874 <3w: 0.949 F-measure:(Recall,Precision) 0.65 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.974 Model 2 Recall: 0.952 Precision: all: 0.49 allw: 0.827 <3: 0.873 <3w: 0.951 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.975 Model 3 Recall: 0.949 Precision: all: 0.491 allw: 0.829 <3: 0.873 <3w: 0.949 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.974 Model 4 Recall: 0.952 Precision: all: 0.501 allw: 0.847 <3: 0.874 <3w: 0.949 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.974 Model 5 Recall: 0.954 Precision: all: 0.49 allw: 0.837 <3: 0.873 <3w: 0.95 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.974 Model 6 Recall: 0.949 Precision: all: 0.492 allw: 0.834 <3: 0.874 <3w: 0.95 F-measure:(Recall,Precision) 0.648 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.974 Model 7 Recall: 0.949 Precision: all: 0.492 allw: 0.829 <3: 0.873 <3w: 0.951 F-measure:(Recall,Precision) 0.648 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.975 Model 8 Recall: 0.95 Precision: all: 0.501 allw: 0.834 <3: 0.873 <3w: 0.951 F-measure:(Recall,Precision) 0.657 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.975 Model 9 Recall: 0.951 Precision: all: 0.495 allw: 0.842 <3: 0.873 <3w: 0.95 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.974 Model 10 Recall: 0.951 Precision: all: 0.493 allw: 0.834 <3: 0.874 <3w: 0.951 F-measure:(Recall,Precision) 0.65 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.975 Model 11 Recall: 0.953 Precision: all: 0.498 allw: 0.834 <3: 0.874 <3w: 0.951 F-measure:(Recall,Precision) 0.654 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.975 Model 12 Recall: 0.951 Precision: all: 0.483 allw: 0.827 <3: 0.874 <3w: 0.95 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.974 Model 13 Recall: 0.951 Precision: all: 0.488 allw: 0.828 <3: 0.873 <3w: 0.951 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.975 Model 14 Recall: 0.949 Precision: all: 0.494 allw: 0.841 <3: 0.873 <3w: 0.951 F-measure:(Recall,Precision) 0.649 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.975 Model 15 Recall: 0.947 Precision: all: 0.483 allw: 0.827 <3: 0.874 <3w: 0.951 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.975 Model 16 Recall: 0.951 Precision: all: 0.496 allw: 0.847 <3: 0.874 <3w: 0.95 F-measure:(Recall,Precision) 0.652 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.974 Model 17 Recall: 0.953 Precision: all: 0.493 allw: 0.835 <3: 0.874 <3w: 0.951 F-measure:(Recall,Precision) 0.65 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.975 Model 18 Recall: 0.952 Precision: all: 0.495 allw: 0.819 <3: 0.873 <3w: 0.949 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.974 Model 19 Recall: 0.949 Precision: all: 0.499 allw: 0.844 <3: 0.873 <3w: 0.951 F-measure:(Recall,Precision) 0.654 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.975 Model 20 Recall: 0.945 Precision: all: 0.487 allw: 0.838 <3: 0.874 <3w: 0.95 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.974 For freely-rotating-chain model: Model ave Inconsistent score: 0.329(670/2035) Model ave Missing interactions: 0.393 (662/1685) weighted: 0.163 (2.19e+05/1.34e+06) <3: 0.127 (75/589) <3w: 0.0917 (9.12e+04/9.94e+05) Recall: 0.671 Precision: all: 0.607 allw: 0.837 F-measure:(RecallFree,PrecisionFree) 0.637 F-measure:(ReallFree,PrecisionFreeW) 0.745 # Summary for n.peaks Total simulated peaks: 144 Number of peaks NOT matched in the Peak List: 21 M score = 0.15 Average shift in HX: 0.0096 Average ab-shift in HX: 0.0098(Assignment used: 80) Average shift in X: -0.099 Average ab-shift in X: 0.1(Assignment used: 80) Average shift in HX2: 0.0056 Average ab-shift in HX2: 0.0075(Assignment used: 96) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0395(33/835) Model 1 Inconsistent score: 0.0551(46/835) Model 2 Inconsistent score: 0.0491(41/835) Model 3 Inconsistent score: 0.0443(37/835) Model 4 Inconsistent score: 0.0491(41/835) Model 5 Inconsistent score: 0.0575(48/835) Model 6 Inconsistent score: 0.0527(44/835) Model 7 Inconsistent score: 0.0479(40/835) Model 8 Inconsistent score: 0.0431(36/835) Model 9 Inconsistent score: 0.0479(40/835) Model 10 Inconsistent score: 0.0479(40/835) Model 11 Inconsistent score: 0.0527(44/835) Model 12 Inconsistent score: 0.0491(41/835) Model 13 Inconsistent score: 0.0431(36/835) Model 14 Inconsistent score: 0.0455(38/835) Model 15 Inconsistent score: 0.0395(33/835) Model 16 Inconsistent score: 0.0503(42/835) Model 17 Inconsistent score: 0.0443(37/835) Model 18 Inconsistent score: 0.0479(40/835) Model 19 Inconsistent score: 0.0467(39/835) Model 20 Inconsistent score: 0.0443(37/835) Model ave Missing interactions: 0.326 (411/1260) weighted: 0.185 (6.02e+05/3.25e+06) <3: 0.127 (18/142) <3w: 0.511 (4.77e+05/9.34e+05) Model 1 Missing interactions: 0.351 (462/1317) weighted: 0.201 (8.28e+05/4.13e+06) <3: 0.121 (18/149) <3w: 0.493 (4.77e+05/9.67e+05) Model 2 Missing interactions: 0.357 (470/1315) weighted: 0.195 (7.83e+05/4.02e+06) <3: 0.126 (18/143) <3w: 0.493 (4.77e+05/9.67e+05) Model 3 Missing interactions: 0.362 (485/1338) weighted: 0.182 (7.1e+05/3.9e+06) <3: 0.126 (18/143) <3w: 0.484 (4.77e+05/9.86e+05) Model 4 Missing interactions: 0.347 (455/1311) weighted: 0.173 (6.85e+05/3.95e+06) <3: 0.122 (18/147) <3w: 0.484 (4.77e+05/9.86e+05) Model 5 Missing interactions: 0.349 (456/1305) weighted: 0.186 (7.39e+05/3.96e+06) <3: 0.125 (18/144) <3w: 0.493 (4.77e+05/9.68e+05) Model 6 Missing interactions: 0.352 (468/1331) weighted: 0.181 (7.35e+05/4.06e+06) <3: 0.122 (18/147) <3w: 0.495 (4.77e+05/9.62e+05) Model 7 Missing interactions: 0.362 (485/1340) weighted: 0.203 (8.28e+05/4.09e+06) <3: 0.124 (18/145) <3w: 0.491 (4.77e+05/9.72e+05) Model 8 Missing interactions: 0.341 (444/1303) weighted: 0.169 (6.86e+05/4.06e+06) <3: 0.125 (18/144) <3w: 0.494 (4.77e+05/9.64e+05) Model 9 Missing interactions: 0.365 (487/1333) weighted: 0.193 (7.93e+05/4.11e+06) <3: 0.127 (18/142) <3w: 0.491 (4.77e+05/9.72e+05) Model 10 Missing interactions: 0.36 (485/1347) weighted: 0.192 (7.94e+05/4.14e+06) <3: 0.122 (18/147) <3w: 0.514 (4.77e+05/9.28e+05) Model 11 Missing interactions: 0.341 (443/1300) weighted: 0.158 (6.32e+05/3.99e+06) <3: 0.122 (18/147) <3w: 0.493 (4.77e+05/9.67e+05) Model 12 Missing interactions: 0.354 (474/1340) weighted: 0.183 (7.54e+05/4.11e+06) <3: 0.123 (18/146) <3w: 0.504 (4.77e+05/9.46e+05) Model 13 Missing interactions: 0.359 (478/1331) weighted: 0.168 (6.74e+05/4.02e+06) <3: 0.125 (18/144) <3w: 0.477 (4.77e+05/1e+06) Model 14 Missing interactions: 0.351 (469/1335) weighted: 0.197 (8.26e+05/4.19e+06) <3: 0.124 (18/145) <3w: 0.486 (4.77e+05/9.8e+05) Model 15 Missing interactions: 0.363 (490/1350) weighted: 0.177 (7.21e+05/4.07e+06) <3: 0.122 (18/148) <3w: 0.502 (4.77e+05/9.49e+05) Model 16 Missing interactions: 0.364 (491/1349) weighted: 0.181 (7.26e+05/4e+06) <3: 0.121 (18/149) <3w: 0.49 (4.77e+05/9.74e+05) Model 17 Missing interactions: 0.35 (466/1333) weighted: 0.186 (7.62e+05/4.1e+06) <3: 0.123 (18/146) <3w: 0.499 (4.77e+05/9.56e+05) Model 18 Missing interactions: 0.338 (433/1282) weighted: 0.174 (6.88e+05/3.94e+06) <3: 0.124 (18/145) <3w: 0.504 (4.77e+05/9.46e+05) Model 19 Missing interactions: 0.346 (456/1317) weighted: 0.179 (7.31e+05/4.08e+06) <3: 0.125 (18/144) <3w: 0.5 (4.77e+05/9.55e+05) Model 20 Missing interactions: 0.336 (444/1321) weighted: 0.164 (6.5e+05/3.96e+06) <3: 0.122 (18/147) <3w: 0.493 (4.77e+05/9.67e+05) Model ave Recall: 0.96 Precision: all: 0.674 allw: 0.815 <3: 0.873 <3w: 0.489 F-measure:(Recall,Precision) 0.792 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.657 Model 1 Recall: 0.945 Precision: all: 0.649 allw: 0.799 <3: 0.879 <3w: 0.507 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.866 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.673 Model 2 Recall: 0.951 Precision: all: 0.643 allw: 0.805 <3: 0.874 <3w: 0.507 F-measure:(Recall,Precision) 0.767 F-measure:(Recall,PrecisionW) 0.872 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.672 Model 3 Recall: 0.956 Precision: all: 0.638 allw: 0.818 <3: 0.874 <3w: 0.516 F-measure:(Recall,Precision) 0.765 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.681 Model 4 Recall: 0.951 Precision: all: 0.653 allw: 0.827 <3: 0.878 <3w: 0.516 F-measure:(Recall,Precision) 0.774 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.681 Model 5 Recall: 0.943 Precision: all: 0.651 allw: 0.814 <3: 0.875 <3w: 0.507 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.873 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.673 Model 6 Recall: 0.947 Precision: all: 0.648 allw: 0.819 <3: 0.878 <3w: 0.505 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.671 Model 7 Recall: 0.952 Precision: all: 0.638 allw: 0.797 <3: 0.876 <3w: 0.509 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.868 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.675 Model 8 Recall: 0.957 Precision: all: 0.659 allw: 0.831 <3: 0.875 <3w: 0.506 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.672 Model 9 Recall: 0.952 Precision: all: 0.635 allw: 0.807 <3: 0.873 <3w: 0.509 F-measure:(Recall,Precision) 0.762 F-measure:(Recall,PrecisionW) 0.874 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.675 Model 10 Recall: 0.952 Precision: all: 0.64 allw: 0.808 <3: 0.878 <3w: 0.486 F-measure:(Recall,Precision) 0.765 F-measure:(Recall,PrecisionW) 0.874 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.654 Model 11 Recall: 0.947 Precision: all: 0.659 allw: 0.842 <3: 0.878 <3w: 0.507 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.673 Model 12 Recall: 0.951 Precision: all: 0.646 allw: 0.817 <3: 0.877 <3w: 0.496 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.663 Model 13 Recall: 0.957 Precision: all: 0.641 allw: 0.832 <3: 0.875 <3w: 0.523 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.687 Model 14 Recall: 0.954 Precision: all: 0.649 allw: 0.803 <3: 0.876 <3w: 0.514 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.872 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.679 Model 15 Recall: 0.96 Precision: all: 0.637 allw: 0.823 <3: 0.878 <3w: 0.498 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.664 Model 16 Recall: 0.95 Precision: all: 0.636 allw: 0.819 <3: 0.879 <3w: 0.51 F-measure:(Recall,Precision) 0.762 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.675 Model 17 Recall: 0.956 Precision: all: 0.65 allw: 0.814 <3: 0.877 <3w: 0.501 F-measure:(Recall,Precision) 0.774 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.668 Model 18 Recall: 0.952 Precision: all: 0.662 allw: 0.826 <3: 0.876 <3w: 0.496 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.663 Model 19 Recall: 0.953 Precision: all: 0.654 allw: 0.821 <3: 0.875 <3w: 0.5 F-measure:(Recall,Precision) 0.776 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.667 Model 20 Recall: 0.956 Precision: all: 0.664 allw: 0.836 <3: 0.878 <3w: 0.507 F-measure:(Recall,Precision) 0.784 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.673 For freely-rotating-chain model: Model ave Inconsistent score: 0.272(227/835) Model ave Missing interactions: 0.228 (163/715) weighted: 0.25 (1.05e+05/4.2e+05) <3: 0.127 (18/142) <3w: 0.329 (7.78e+04/2.36e+05) Recall: 0.728 Precision: all: 0.772 allw: 0.75 F-measure:(RecallFree,PrecisionFree) 0.749 F-measure:(ReallFree,PrecisionFreeW) 0.739 Final M-score 0.128 124/969 Model ave Final Recall-score for input query structures: 0.955 Final Precision-score for input query structures: 0.864 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.886 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.907 F-score of ideal true structures: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.834 Model 1 Final Recall-score for input query structures: 0.948 Final Precision-score for input query structures: 0.825 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.886 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.882 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.701 Model 2 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.822 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.889 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.882 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.697 Model 3 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.827 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.887 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.885 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.716 Model 4 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.842 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.888 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.893 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.758 Model 5 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.831 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.887 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.887 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.727 Model 6 Final Recall-score for input query structures: 0.948 Final Precision-score for input query structures: 0.83 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.887 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.885 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.716 Model 7 Final Recall-score for input query structures: 0.95 Final Precision-score for input query structures: 0.821 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.888 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.881 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.692 Model 8 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.834 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.888 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.889 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.733 Model 9 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.833 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.887 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.889 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.737 Model 10 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.827 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.887 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.885 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.716 Model 11 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.836 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.889 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.89 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.738 Model 12 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.824 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.887 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.883 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.706 Model 13 Final Recall-score for input query structures: 0.953 Final Precision-score for input query structures: 0.829 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.889 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.887 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.723 Model 14 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.831 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.889 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.887 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.723 Model 15 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.826 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.887 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.884 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.711 Model 16 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.84 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.888 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.892 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.749 Model 17 Final Recall-score for input query structures: 0.954 Final Precision-score for input query structures: 0.83 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.887 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.888 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.732 Model 18 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.821 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.886 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.882 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.701 Model 19 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.888 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.891 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.744 Model 20 Final Recall-score for input query structures: 0.948 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.887 Final Recall-score for freely-rotating-chain model: 0.687 Final Precision-score for freely-rotating-chain model: 0.816 Summary: F-score of input query structures: 0.89 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.742 Statistics: =========== NOESY_Assign: User CPU Time: 47.8 sec. Syst CPU Time: 0.65 sec. Other Processes: User CPU Time: 0.45 sec. Syst CPU Time: 0.05 sec. Total Elapsed Time: 49.1 sec.