# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 01:07:35 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/DHR29B_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q DHR29B_R3Cons_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: 0.0442(90/2035) Model 1 Inconsistent score: 0.0506(103/2035) Model 2 Inconsistent score: 0.0477(97/2035) Model 3 Inconsistent score: 0.0501(102/2035) Model 4 Inconsistent score: 0.0486(99/2035) Model 5 Inconsistent score: 0.0501(102/2035) Model 6 Inconsistent score: 0.0511(104/2035) Model 7 Inconsistent score: 0.0482(98/2035) Model 8 Inconsistent score: 0.0491(100/2035) Model 9 Inconsistent score: 0.0506(103/2035) Model 10 Inconsistent score: 0.0501(102/2035) Model 11 Inconsistent score: 0.0486(99/2035) Model 12 Inconsistent score: 0.0477(97/2035) Model 13 Inconsistent score: 0.0501(102/2035) Model 14 Inconsistent score: 0.0467(95/2035) Model 15 Inconsistent score: 0.0491(100/2035) Model 16 Inconsistent score: 0.0452(92/2035) Model 17 Inconsistent score: 0.0472(96/2035) Model 18 Inconsistent score: 0.0486(99/2035) Model 19 Inconsistent score: 0.0511(104/2035) Model 20 Inconsistent score: 0.0457(93/2035) Model ave Missing interactions: 0.479 (1.91e+03/3993) weighted: 0.125 (1.31e+06/1.04e+07) <3: 0.127 (75/589) <3w: 0.0533 (3.03e+05/5.69e+06) Model 1 Missing interactions: 0.508 (2.2e+03/4322) weighted: 0.17 (2.15e+06/1.26e+07) <3: 0.127 (75/592) <3w: 0.0521 (3.06e+05/5.88e+06) Model 2 Missing interactions: 0.5 (2.12e+03/4246) weighted: 0.159 (1.95e+06/1.22e+07) <3: 0.127 (75/591) <3w: 0.0519 (3.07e+05/5.93e+06) Model 3 Missing interactions: 0.501 (2.1e+03/4191) weighted: 0.157 (1.91e+06/1.21e+07) <3: 0.127 (75/592) <3w: 0.0541 (3.16e+05/5.85e+06) Model 4 Missing interactions: 0.506 (2.18e+03/4322) weighted: 0.166 (2.04e+06/1.22e+07) <3: 0.127 (75/591) <3w: 0.0498 (2.93e+05/5.88e+06) Model 5 Missing interactions: 0.505 (2.17e+03/4296) weighted: 0.177 (2.22e+06/1.25e+07) <3: 0.127 (75/592) <3w: 0.0526 (3.09e+05/5.87e+06) Model 6 Missing interactions: 0.502 (2.14e+03/4249) weighted: 0.168 (2.12e+06/1.26e+07) <3: 0.127 (75/590) <3w: 0.0529 (3.06e+05/5.79e+06) Model 7 Missing interactions: 0.5 (2.11e+03/4218) weighted: 0.162 (2e+06/1.23e+07) <3: 0.126 (75/593) <3w: 0.0533 (3.16e+05/5.92e+06) Model 8 Missing interactions: 0.499 (2.12e+03/4245) weighted: 0.156 (1.9e+06/1.22e+07) <3: 0.128 (75/587) <3w: 0.0497 (2.87e+05/5.78e+06) Model 9 Missing interactions: 0.506 (2.14e+03/4239) weighted: 0.171 (2.1e+06/1.23e+07) <3: 0.127 (75/591) <3w: 0.0513 (2.98e+05/5.82e+06) Model 10 Missing interactions: 0.504 (2.17e+03/4307) weighted: 0.157 (1.93e+06/1.22e+07) <3: 0.127 (75/590) <3w: 0.0519 (3.05e+05/5.88e+06) Model 11 Missing interactions: 0.504 (2.16e+03/4287) weighted: 0.16 (1.98e+06/1.24e+07) <3: 0.127 (75/590) <3w: 0.0517 (3.05e+05/5.9e+06) Model 12 Missing interactions: 0.506 (2.17e+03/4293) weighted: 0.166 (2.05e+06/1.24e+07) <3: 0.126 (75/595) <3w: 0.0518 (3.04e+05/5.88e+06) Model 13 Missing interactions: 0.51 (2.16e+03/4239) weighted: 0.156 (1.89e+06/1.22e+07) <3: 0.127 (75/592) <3w: 0.0531 (3.09e+05/5.81e+06) Model 14 Missing interactions: 0.507 (2.18e+03/4292) weighted: 0.177 (2.2e+06/1.25e+07) <3: 0.127 (75/590) <3w: 0.0504 (2.92e+05/5.79e+06) Model 15 Missing interactions: 0.505 (2.14e+03/4245) weighted: 0.169 (2.04e+06/1.21e+07) <3: 0.127 (75/591) <3w: 0.0519 (3e+05/5.78e+06) Model 16 Missing interactions: 0.501 (2.14e+03/4268) weighted: 0.161 (2.02e+06/1.26e+07) <3: 0.127 (75/592) <3w: 0.0541 (3.21e+05/5.93e+06) Model 17 Missing interactions: 0.504 (2.15e+03/4259) weighted: 0.166 (2e+06/1.21e+07) <3: 0.127 (75/591) <3w: 0.0517 (2.99e+05/5.79e+06) Model 18 Missing interactions: 0.511 (2.19e+03/4290) weighted: 0.168 (2.09e+06/1.24e+07) <3: 0.127 (75/591) <3w: 0.0531 (3.11e+05/5.85e+06) Model 19 Missing interactions: 0.514 (2.23e+03/4332) weighted: 0.168 (2.08e+06/1.23e+07) <3: 0.127 (75/592) <3w: 0.0523 (3.06e+05/5.86e+06) Model 20 Missing interactions: 0.496 (2.08e+03/4192) weighted: 0.149 (1.83e+06/1.22e+07) <3: 0.126 (75/594) <3w: 0.0504 (2.98e+05/5.92e+06) Model ave Recall: 0.956 Precision: all: 0.521 allw: 0.875 <3: 0.873 <3w: 0.947 F-measure:(Recall,Precision) 0.675 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 1 Recall: 0.949 Precision: all: 0.492 allw: 0.83 <3: 0.873 <3w: 0.948 F-measure:(Recall,Precision) 0.648 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 2 Recall: 0.952 Precision: all: 0.5 allw: 0.841 <3: 0.873 <3w: 0.948 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 3 Recall: 0.95 Precision: all: 0.499 allw: 0.843 <3: 0.873 <3w: 0.946 F-measure:(Recall,Precision) 0.655 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.972 Model 4 Recall: 0.951 Precision: all: 0.494 allw: 0.834 <3: 0.873 <3w: 0.95 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.974 Model 5 Recall: 0.95 Precision: all: 0.495 allw: 0.823 <3: 0.873 <3w: 0.947 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 6 Recall: 0.949 Precision: all: 0.498 allw: 0.832 <3: 0.873 <3w: 0.947 F-measure:(Recall,Precision) 0.653 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 7 Recall: 0.952 Precision: all: 0.5 allw: 0.838 <3: 0.874 <3w: 0.947 F-measure:(Recall,Precision) 0.655 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 8 Recall: 0.951 Precision: all: 0.501 allw: 0.844 <3: 0.872 <3w: 0.95 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.975 Model 9 Recall: 0.949 Precision: all: 0.494 allw: 0.829 <3: 0.873 <3w: 0.949 F-measure:(Recall,Precision) 0.65 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.974 Model 10 Recall: 0.95 Precision: all: 0.496 allw: 0.843 <3: 0.873 <3w: 0.948 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 11 Recall: 0.951 Precision: all: 0.496 allw: 0.84 <3: 0.873 <3w: 0.948 F-measure:(Recall,Precision) 0.652 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 12 Recall: 0.952 Precision: all: 0.494 allw: 0.834 <3: 0.874 <3w: 0.948 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 13 Recall: 0.95 Precision: all: 0.49 allw: 0.844 <3: 0.873 <3w: 0.947 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 14 Recall: 0.953 Precision: all: 0.493 allw: 0.823 <3: 0.873 <3w: 0.95 F-measure:(Recall,Precision) 0.65 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.974 Model 15 Recall: 0.951 Precision: all: 0.495 allw: 0.831 <3: 0.873 <3w: 0.948 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 16 Recall: 0.955 Precision: all: 0.499 allw: 0.839 <3: 0.873 <3w: 0.946 F-measure:(Recall,Precision) 0.655 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.972 Model 17 Recall: 0.953 Precision: all: 0.496 allw: 0.834 <3: 0.873 <3w: 0.948 F-measure:(Recall,Precision) 0.652 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 18 Recall: 0.951 Precision: all: 0.489 allw: 0.832 <3: 0.873 <3w: 0.947 F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 19 Recall: 0.949 Precision: all: 0.486 allw: 0.832 <3: 0.873 <3w: 0.948 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 20 Recall: 0.954 Precision: all: 0.504 allw: 0.851 <3: 0.874 <3w: 0.95 F-measure:(Recall,Precision) 0.66 F-measure:(Recall,PrecisionW) 0.9 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: 0.0419(35/835) Model 1 Inconsistent score: 0.0419(35/835) Model 2 Inconsistent score: 0.0515(43/835) Model 3 Inconsistent score: 0.0407(34/835) Model 4 Inconsistent score: 0.0455(38/835) Model 5 Inconsistent score: 0.0443(37/835) Model 6 Inconsistent score: 0.0383(32/835) Model 7 Inconsistent score: 0.0491(41/835) Model 8 Inconsistent score: 0.0419(35/835) Model 9 Inconsistent score: 0.0431(36/835) Model 10 Inconsistent score: 0.0419(35/835) Model 11 Inconsistent score: 0.0419(35/835) Model 12 Inconsistent score: 0.0455(38/835) Model 13 Inconsistent score: 0.0431(36/835) Model 14 Inconsistent score: 0.0443(37/835) Model 15 Inconsistent score: 0.0419(35/835) Model 16 Inconsistent score: 0.0407(34/835) Model 17 Inconsistent score: 0.0407(34/835) Model 18 Inconsistent score: 0.0407(34/835) Model 19 Inconsistent score: 0.0467(39/835) Model 20 Inconsistent score: 0.0443(37/835) Model ave Missing interactions: 0.321 (405/1260) weighted: 0.18 (6.02e+05/3.34e+06) <3: 0.127 (18/142) <3w: 0.526 (4.77e+05/9.06e+05) Model 1 Missing interactions: 0.354 (474/1338) weighted: 0.181 (7.16e+05/3.97e+06) <3: 0.124 (18/145) <3w: 0.512 (4.77e+05/9.3e+05) Model 2 Missing interactions: 0.34 (441/1296) weighted: 0.185 (7.34e+05/3.97e+06) <3: 0.125 (18/144) <3w: 0.504 (4.77e+05/9.45e+05) Model 3 Missing interactions: 0.335 (436/1301) weighted: 0.172 (6.59e+05/3.83e+06) <3: 0.124 (18/145) <3w: 0.507 (4.77e+05/9.4e+05) Model 4 Missing interactions: 0.353 (474/1343) weighted: 0.18 (6.97e+05/3.87e+06) <3: 0.125 (18/144) <3w: 0.511 (4.77e+05/9.32e+05) Model 5 Missing interactions: 0.347 (458/1321) weighted: 0.175 (6.76e+05/3.86e+06) <3: 0.124 (18/145) <3w: 0.516 (4.77e+05/9.23e+05) Model 6 Missing interactions: 0.332 (433/1306) weighted: 0.165 (6.53e+05/3.97e+06) <3: 0.126 (18/143) <3w: 0.514 (4.77e+05/9.27e+05) Model 7 Missing interactions: 0.344 (450/1308) weighted: 0.168 (6.54e+05/3.89e+06) <3: 0.123 (18/146) <3w: 0.504 (4.77e+05/9.47e+05) Model 8 Missing interactions: 0.344 (450/1309) weighted: 0.186 (7.32e+05/3.94e+06) <3: 0.129 (18/140) <3w: 0.517 (4.77e+05/9.21e+05) Model 9 Missing interactions: 0.362 (493/1363) weighted: 0.199 (8.11e+05/4.08e+06) <3: 0.125 (18/144) <3w: 0.535 (4.77e+05/8.92e+05) Model 10 Missing interactions: 0.353 (473/1341) weighted: 0.181 (7.08e+05/3.91e+06) <3: 0.126 (18/143) <3w: 0.519 (4.77e+05/9.18e+05) Model 11 Missing interactions: 0.344 (455/1324) weighted: 0.173 (6.69e+05/3.87e+06) <3: 0.126 (18/143) <3w: 0.497 (4.77e+05/9.6e+05) Model 12 Missing interactions: 0.357 (475/1331) weighted: 0.187 (7.34e+05/3.93e+06) <3: 0.122 (18/148) <3w: 0.524 (4.77e+05/9.1e+05) Model 13 Missing interactions: 0.346 (458/1324) weighted: 0.166 (6.59e+05/3.96e+06) <3: 0.124 (18/145) <3w: 0.516 (4.77e+05/9.23e+05) Model 14 Missing interactions: 0.357 (477/1338) weighted: 0.19 (7.88e+05/4.15e+06) <3: 0.126 (18/143) <3w: 0.527 (4.77e+05/9.04e+05) Model 15 Missing interactions: 0.355 (478/1345) weighted: 0.185 (7.55e+05/4.08e+06) <3: 0.125 (18/144) <3w: 0.53 (4.77e+05/8.99e+05) Model 16 Missing interactions: 0.356 (479/1344) weighted: 0.182 (7.15e+05/3.92e+06) <3: 0.124 (18/145) <3w: 0.508 (4.77e+05/9.38e+05) Model 17 Missing interactions: 0.355 (476/1339) weighted: 0.194 (7.66e+05/3.94e+06) <3: 0.125 (18/144) <3w: 0.519 (4.77e+05/9.19e+05) Model 18 Missing interactions: 0.354 (475/1340) weighted: 0.188 (7.53e+05/3.99e+06) <3: 0.125 (18/144) <3w: 0.525 (4.77e+05/9.08e+05) Model 19 Missing interactions: 0.353 (475/1346) weighted: 0.195 (7.83e+05/4.01e+06) <3: 0.124 (18/145) <3w: 0.515 (4.77e+05/9.25e+05) Model 20 Missing interactions: 0.343 (444/1294) weighted: 0.177 (6.89e+05/3.9e+06) <3: 0.122 (18/147) <3w: 0.498 (4.77e+05/9.56e+05) Model ave Recall: 0.958 Precision: all: 0.679 allw: 0.82 <3: 0.873 <3w: 0.474 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.643 Model 1 Recall: 0.958 Precision: all: 0.646 allw: 0.819 <3: 0.876 <3w: 0.488 F-measure:(Recall,Precision) 0.771 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.656 Model 2 Recall: 0.949 Precision: all: 0.66 allw: 0.815 <3: 0.875 <3w: 0.496 F-measure:(Recall,Precision) 0.778 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.663 Model 3 Recall: 0.959 Precision: all: 0.665 allw: 0.828 <3: 0.876 <3w: 0.493 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.66 Model 4 Recall: 0.954 Precision: all: 0.647 allw: 0.82 <3: 0.875 <3w: 0.489 F-measure:(Recall,Precision) 0.771 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.656 Model 5 Recall: 0.956 Precision: all: 0.653 allw: 0.825 <3: 0.876 <3w: 0.484 F-measure:(Recall,Precision) 0.776 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.652 Model 6 Recall: 0.962 Precision: all: 0.668 allw: 0.835 <3: 0.874 <3w: 0.486 F-measure:(Recall,Precision) 0.789 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.654 Model 7 Recall: 0.951 Precision: all: 0.656 allw: 0.832 <3: 0.877 <3w: 0.496 F-measure:(Recall,Precision) 0.776 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.664 Model 8 Recall: 0.958 Precision: all: 0.656 allw: 0.814 <3: 0.871 <3w: 0.483 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 0.931 F-measure:(0,PrecisionIdealW) 0.651 Model 9 Recall: 0.957 Precision: all: 0.638 allw: 0.801 <3: 0.875 <3w: 0.465 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.872 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.635 Model 10 Recall: 0.958 Precision: all: 0.647 allw: 0.819 <3: 0.874 <3w: 0.481 F-measure:(Recall,Precision) 0.773 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.649 Model 11 Recall: 0.958 Precision: all: 0.656 allw: 0.827 <3: 0.874 <3w: 0.503 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.67 Model 12 Recall: 0.954 Precision: all: 0.643 allw: 0.813 <3: 0.878 <3w: 0.476 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.645 Model 13 Recall: 0.957 Precision: all: 0.654 allw: 0.834 <3: 0.876 <3w: 0.484 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.652 Model 14 Recall: 0.956 Precision: all: 0.643 allw: 0.81 <3: 0.874 <3w: 0.473 F-measure:(Recall,Precision) 0.769 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.642 Model 15 Recall: 0.958 Precision: all: 0.645 allw: 0.815 <3: 0.875 <3w: 0.47 F-measure:(Recall,Precision) 0.771 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.639 Model 16 Recall: 0.959 Precision: all: 0.644 allw: 0.818 <3: 0.876 <3w: 0.492 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.66 Model 17 Recall: 0.959 Precision: all: 0.645 allw: 0.806 <3: 0.875 <3w: 0.481 F-measure:(Recall,Precision) 0.771 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.65 Model 18 Recall: 0.959 Precision: all: 0.646 allw: 0.812 <3: 0.875 <3w: 0.475 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.644 Model 19 Recall: 0.953 Precision: all: 0.647 allw: 0.805 <3: 0.876 <3w: 0.485 F-measure:(Recall,Precision) 0.771 F-measure:(Recall,PrecisionW) 0.873 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.653 Model 20 Recall: 0.956 Precision: all: 0.657 allw: 0.823 <3: 0.878 <3w: 0.502 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.668 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: 0.956 Final Precision-score for input query structures: 0.861 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.882 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: 0.906 F-score of ideal true structures: 0.937 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.838 Model 1 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.828 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.885 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: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.72 Model 2 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.835 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: 0.889 F-score of ideal true structures: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.741 Model 3 Final Recall-score for input query structures: 0.953 Final Precision-score for input query structures: 0.839 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.883 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: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.76 Model 4 Final Recall-score for input query structures: 0.952 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: 0.887 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.727 Model 5 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.823 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.884 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: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.71 Model 6 Final Recall-score for input query structures: 0.953 Final Precision-score for input query structures: 0.833 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.883 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: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.745 Model 7 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.836 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.885 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: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.746 Model 8 Final Recall-score for input query structures: 0.953 Final Precision-score for input query structures: 0.837 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: 0.891 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.747 Model 9 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: 0.885 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: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.705 Model 10 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.837 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.885 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: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.751 Model 11 Final Recall-score for input query structures: 0.953 Final Precision-score for input query structures: 0.837 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: 0.891 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.747 Model 12 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: 0.885 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: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.731 Model 13 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: 0.883 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: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.766 Model 14 Final Recall-score for input query structures: 0.954 Final Precision-score for input query structures: 0.82 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.885 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: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.705 Model 15 Final Recall-score for input query structures: 0.953 Final Precision-score for input query structures: 0.827 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.884 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: 0.886 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.729 Model 16 Final Recall-score for input query structures: 0.956 Final Precision-score for input query structures: 0.834 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.884 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: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.755 Model 17 Final Recall-score for input query structures: 0.955 Final Precision-score for input query structures: 0.827 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.884 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: 0.886 F-score of ideal true structures: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.725 Model 18 Final Recall-score for input query structures: 0.954 Final Precision-score for input query structures: 0.827 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.883 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: 0.886 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.729 Model 19 Final Recall-score for input query structures: 0.95 Final Precision-score for input query structures: 0.825 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.885 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: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.71 Model 20 Final Recall-score for input query structures: 0.955 Final Precision-score for input query structures: 0.844 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: 0.896 F-score of ideal true structures: 0.94 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.773 Statistics: =========== NOESY_Assign: User CPU Time: 47.8 sec. Syst CPU Time: 0.68 sec. Other Processes: User CPU Time: 0.45 sec. Syst CPU Time: 0.04 sec. Total Elapsed Time: 49.2 sec.