# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 00:53:39 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/DHR29B_R3_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q DHR29B_R3_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: 0.0541(110/2035) Model 1 Inconsistent score: 0.0501(102/2035) Model 2 Inconsistent score: 0.0545(111/2035) Model 3 Inconsistent score: 0.0516(105/2035) Model 4 Inconsistent score: 0.0516(105/2035) Model 5 Inconsistent score: 0.0575(117/2035) Model 6 Inconsistent score: 0.0531(108/2035) Model 7 Inconsistent score: 0.0521(106/2035) Model 8 Inconsistent score: 0.0526(107/2035) Model 9 Inconsistent score: 0.0521(106/2035) Model 10 Inconsistent score: 0.0536(109/2035) Model 11 Inconsistent score: 0.056(114/2035) Model 12 Inconsistent score: 0.0511(104/2035) Model 13 Inconsistent score: 0.0501(102/2035) Model 14 Inconsistent score: 0.0536(109/2035) Model 15 Inconsistent score: 0.0531(108/2035) Model 16 Inconsistent score: 0.0516(105/2035) Model 17 Inconsistent score: 0.0526(107/2035) Model 18 Inconsistent score: 0.0536(109/2035) Model 19 Inconsistent score: 0.0585(119/2035) Model 20 Inconsistent score: 0.055(112/2035) Model ave Missing interactions: 0.473 (1.81e+03/3839) weighted: 0.122 (1.2e+06/9.85e+06) <3: 0.126 (75/594) <3w: 0.0546 (3.07e+05/5.63e+06) Model 1 Missing interactions: 0.511 (2.26e+03/4411) weighted: 0.183 (2.28e+06/1.25e+07) <3: 0.127 (75/591) <3w: 0.054 (3.08e+05/5.7e+06) Model 2 Missing interactions: 0.512 (2.22e+03/4340) weighted: 0.19 (2.43e+06/1.28e+07) <3: 0.126 (75/595) <3w: 0.0525 (3.02e+05/5.76e+06) Model 3 Missing interactions: 0.512 (2.22e+03/4325) weighted: 0.178 (2.27e+06/1.28e+07) <3: 0.126 (75/594) <3w: 0.0524 (3.02e+05/5.77e+06) Model 4 Missing interactions: 0.514 (2.24e+03/4356) weighted: 0.186 (2.37e+06/1.27e+07) <3: 0.126 (75/594) <3w: 0.0525 (3.06e+05/5.83e+06) Model 5 Missing interactions: 0.511 (2.23e+03/4369) weighted: 0.191 (2.48e+06/1.3e+07) <3: 0.125 (75/600) <3w: 0.0551 (3.14e+05/5.7e+06) Model 6 Missing interactions: 0.515 (2.28e+03/4428) weighted: 0.199 (2.55e+06/1.28e+07) <3: 0.127 (75/592) <3w: 0.0534 (3.07e+05/5.74e+06) Model 7 Missing interactions: 0.514 (2.28e+03/4448) weighted: 0.182 (2.32e+06/1.27e+07) <3: 0.126 (75/597) <3w: 0.053 (3.03e+05/5.71e+06) Model 8 Missing interactions: 0.513 (2.22e+03/4335) weighted: 0.198 (2.55e+06/1.28e+07) <3: 0.126 (75/596) <3w: 0.0549 (3.14e+05/5.72e+06) Model 9 Missing interactions: 0.508 (2.21e+03/4349) weighted: 0.178 (2.25e+06/1.26e+07) <3: 0.126 (75/595) <3w: 0.0528 (2.98e+05/5.65e+06) Model 10 Missing interactions: 0.517 (2.27e+03/4386) weighted: 0.179 (2.27e+06/1.27e+07) <3: 0.126 (75/595) <3w: 0.0524 (3.03e+05/5.79e+06) Model 11 Missing interactions: 0.514 (2.24e+03/4365) weighted: 0.179 (2.27e+06/1.26e+07) <3: 0.125 (75/599) <3w: 0.0546 (3.08e+05/5.65e+06) Model 12 Missing interactions: 0.506 (2.22e+03/4378) weighted: 0.186 (2.39e+06/1.28e+07) <3: 0.126 (75/596) <3w: 0.052 (2.99e+05/5.76e+06) Model 13 Missing interactions: 0.52 (2.33e+03/4481) weighted: 0.188 (2.42e+06/1.29e+07) <3: 0.126 (75/594) <3w: 0.0521 (2.98e+05/5.73e+06) Model 14 Missing interactions: 0.509 (2.26e+03/4437) weighted: 0.17 (2.15e+06/1.26e+07) <3: 0.127 (75/592) <3w: 0.0527 (3.06e+05/5.81e+06) Model 15 Missing interactions: 0.515 (2.24e+03/4354) weighted: 0.183 (2.35e+06/1.28e+07) <3: 0.126 (75/593) <3w: 0.0547 (3.15e+05/5.77e+06) Model 16 Missing interactions: 0.518 (2.32e+03/4473) weighted: 0.194 (2.46e+06/1.27e+07) <3: 0.126 (75/594) <3w: 0.0525 (3.05e+05/5.8e+06) Model 17 Missing interactions: 0.517 (2.27e+03/4402) weighted: 0.186 (2.4e+06/1.29e+07) <3: 0.126 (75/597) <3w: 0.0548 (3.17e+05/5.79e+06) Model 18 Missing interactions: 0.513 (2.24e+03/4371) weighted: 0.172 (2.21e+06/1.28e+07) <3: 0.126 (75/596) <3w: 0.0532 (3.09e+05/5.8e+06) Model 19 Missing interactions: 0.514 (2.28e+03/4426) weighted: 0.19 (2.51e+06/1.32e+07) <3: 0.125 (75/598) <3w: 0.0543 (3.14e+05/5.77e+06) Model 20 Missing interactions: 0.514 (2.27e+03/4427) weighted: 0.19 (2.45e+06/1.29e+07) <3: 0.126 (75/597) <3w: 0.0525 (3.03e+05/5.77e+06) Model ave Recall: 0.946 Precision: all: 0.527 allw: 0.878 <3: 0.874 <3w: 0.945 F-measure:(Recall,Precision) 0.677 F-measure:(Recall,PrecisionW) 0.911 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.972 Model 1 Recall: 0.95 Precision: all: 0.489 allw: 0.817 <3: 0.873 <3w: 0.946 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.972 Model 2 Recall: 0.945 Precision: all: 0.488 allw: 0.81 <3: 0.874 <3w: 0.947 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.873 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 3 Recall: 0.948 Precision: all: 0.488 allw: 0.822 <3: 0.874 <3w: 0.948 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 4 Recall: 0.948 Precision: all: 0.486 allw: 0.814 <3: 0.874 <3w: 0.948 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 5 Recall: 0.943 Precision: all: 0.489 allw: 0.809 <3: 0.875 <3w: 0.945 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.87 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.972 Model 6 Recall: 0.947 Precision: all: 0.485 allw: 0.801 <3: 0.873 <3w: 0.947 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.868 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 7 Recall: 0.948 Precision: all: 0.486 allw: 0.818 <3: 0.874 <3w: 0.947 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 8 Recall: 0.947 Precision: all: 0.487 allw: 0.802 <3: 0.874 <3w: 0.945 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.868 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.972 Model 9 Recall: 0.948 Precision: all: 0.492 allw: 0.822 <3: 0.874 <3w: 0.947 F-measure:(Recall,Precision) 0.648 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 10 Recall: 0.946 Precision: all: 0.483 allw: 0.821 <3: 0.874 <3w: 0.948 F-measure:(Recall,Precision) 0.639 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 11 Recall: 0.944 Precision: all: 0.486 allw: 0.821 <3: 0.875 <3w: 0.945 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.972 Model 12 Recall: 0.949 Precision: all: 0.494 allw: 0.814 <3: 0.874 <3w: 0.948 F-measure:(Recall,Precision) 0.649 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 13 Recall: 0.95 Precision: all: 0.48 allw: 0.812 <3: 0.874 <3w: 0.948 F-measure:(Recall,Precision) 0.638 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 14 Recall: 0.946 Precision: all: 0.491 allw: 0.83 <3: 0.873 <3w: 0.947 F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.973 Model 15 Recall: 0.947 Precision: all: 0.485 allw: 0.817 <3: 0.874 <3w: 0.945 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 0.932 F-measure:(0,PrecisionIdealW) 0.972 Model 16 Recall: 0.948 Precision: all: 0.482 allw: 0.806 <3: 0.874 <3w: 0.947 F-measure:(Recall,Precision) 0.639 F-measure:(Recall,PrecisionW) 0.871 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 17 Recall: 0.947 Precision: all: 0.483 allw: 0.814 <3: 0.874 <3w: 0.945 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.972 Model 18 Recall: 0.946 Precision: all: 0.487 allw: 0.828 <3: 0.874 <3w: 0.947 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 Model 19 Recall: 0.942 Precision: all: 0.486 allw: 0.81 <3: 0.875 <3w: 0.946 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.871 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.972 Model 20 Recall: 0.945 Precision: all: 0.486 allw: 0.81 <3: 0.874 <3w: 0.947 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.872 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.973 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: 0.0431(36/835) Model 1 Inconsistent score: 0.0491(41/835) Model 2 Inconsistent score: 0.0455(38/835) Model 3 Inconsistent score: 0.0443(37/835) Model 4 Inconsistent score: 0.0443(37/835) Model 5 Inconsistent score: 0.0527(44/835) Model 6 Inconsistent score: 0.0563(47/835) Model 7 Inconsistent score: 0.0419(35/835) Model 8 Inconsistent score: 0.0575(48/835) Model 9 Inconsistent score: 0.0431(36/835) Model 10 Inconsistent score: 0.0431(36/835) Model 11 Inconsistent score: 0.0407(34/835) Model 12 Inconsistent score: 0.0419(35/835) Model 13 Inconsistent score: 0.0491(41/835) Model 14 Inconsistent score: 0.0407(34/835) Model 15 Inconsistent score: 0.0443(37/835) Model 16 Inconsistent score: 0.0407(34/835) Model 17 Inconsistent score: 0.0443(37/835) Model 18 Inconsistent score: 0.0455(38/835) Model 19 Inconsistent score: 0.0443(37/835) Model 20 Inconsistent score: 0.0479(40/835) Model ave Missing interactions: 0.314 (381/1214) weighted: 0.183 (5.84e+05/3.2e+06) <3: 0.122 (18/147) <3w: 0.548 (4.77e+05/8.7e+05) Model 1 Missing interactions: 0.363 (498/1373) weighted: 0.188 (7.48e+05/3.97e+06) <3: 0.125 (18/144) <3w: 0.538 (4.77e+05/8.86e+05) Model 2 Missing interactions: 0.348 (461/1326) weighted: 0.174 (6.95e+05/4e+06) <3: 0.122 (18/148) <3w: 0.551 (4.77e+05/8.65e+05) Model 3 Missing interactions: 0.349 (468/1340) weighted: 0.187 (7.52e+05/4.02e+06) <3: 0.122 (18/147) <3w: 0.535 (4.77e+05/8.91e+05) Model 4 Missing interactions: 0.35 (473/1352) weighted: 0.176 (7.19e+05/4.09e+06) <3: 0.122 (18/147) <3w: 0.501 (4.77e+05/9.51e+05) Model 5 Missing interactions: 0.36 (481/1336) weighted: 0.181 (7.38e+05/4.07e+06) <3: 0.118 (18/153) <3w: 0.552 (4.77e+05/8.65e+05) Model 6 Missing interactions: 0.358 (483/1351) weighted: 0.199 (8.32e+05/4.17e+06) <3: 0.124 (18/145) <3w: 0.538 (4.77e+05/8.87e+05) Model 7 Missing interactions: 0.377 (524/1391) weighted: 0.202 (8.1e+05/4.01e+06) <3: 0.12 (18/150) <3w: 0.527 (4.77e+05/9.04e+05) Model 8 Missing interactions: 0.362 (488/1347) weighted: 0.181 (7.26e+05/4e+06) <3: 0.121 (18/149) <3w: 0.532 (4.77e+05/8.96e+05) Model 9 Missing interactions: 0.36 (488/1356) weighted: 0.176 (6.94e+05/3.94e+06) <3: 0.122 (18/148) <3w: 0.537 (4.77e+05/8.88e+05) Model 10 Missing interactions: 0.341 (457/1339) weighted: 0.181 (7.11e+05/3.92e+06) <3: 0.122 (18/148) <3w: 0.522 (4.77e+05/9.12e+05) Model 11 Missing interactions: 0.362 (494/1365) weighted: 0.19 (7.52e+05/3.97e+06) <3: 0.118 (18/152) <3w: 0.536 (4.77e+05/8.89e+05) Model 12 Missing interactions: 0.352 (477/1355) weighted: 0.188 (7.76e+05/4.13e+06) <3: 0.121 (18/149) <3w: 0.53 (4.77e+05/8.99e+05) Model 13 Missing interactions: 0.369 (506/1372) weighted: 0.185 (7.15e+05/3.87e+06) <3: 0.122 (18/147) <3w: 0.535 (4.77e+05/8.92e+05) Model 14 Missing interactions: 0.353 (482/1364) weighted: 0.175 (6.78e+05/3.88e+06) <3: 0.124 (18/145) <3w: 0.533 (4.77e+05/8.95e+05) Model 15 Missing interactions: 0.364 (496/1364) weighted: 0.183 (7.3e+05/3.98e+06) <3: 0.123 (18/146) <3w: 0.516 (4.77e+05/9.23e+05) Model 16 Missing interactions: 0.372 (520/1396) weighted: 0.197 (8.12e+05/4.13e+06) <3: 0.122 (18/147) <3w: 0.556 (4.77e+05/8.58e+05) Model 17 Missing interactions: 0.357 (477/1338) weighted: 0.177 (7.12e+05/4.02e+06) <3: 0.12 (18/150) <3w: 0.525 (4.77e+05/9.09e+05) Model 18 Missing interactions: 0.349 (464/1330) weighted: 0.172 (6.84e+05/3.98e+06) <3: 0.121 (18/149) <3w: 0.528 (4.77e+05/9.03e+05) Model 19 Missing interactions: 0.358 (487/1362) weighted: 0.166 (6.74e+05/4.05e+06) <3: 0.119 (18/151) <3w: 0.531 (4.77e+05/8.98e+05) Model 20 Missing interactions: 0.359 (493/1375) weighted: 0.181 (7.36e+05/4.07e+06) <3: 0.12 (18/150) <3w: 0.526 (4.77e+05/9.07e+05) Model ave Recall: 0.957 Precision: all: 0.686 allw: 0.817 <3: 0.878 <3w: 0.452 F-measure:(Recall,Precision) 0.799 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.623 Model 1 Recall: 0.951 Precision: all: 0.637 allw: 0.812 <3: 0.875 <3w: 0.462 F-measure:(Recall,Precision) 0.763 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.632 Model 2 Recall: 0.954 Precision: all: 0.652 allw: 0.826 <3: 0.878 <3w: 0.449 F-measure:(Recall,Precision) 0.775 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.619 Model 3 Recall: 0.956 Precision: all: 0.651 allw: 0.813 <3: 0.878 <3w: 0.465 F-measure:(Recall,Precision) 0.774 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.635 Model 4 Recall: 0.956 Precision: all: 0.65 allw: 0.824 <3: 0.878 <3w: 0.499 F-measure:(Recall,Precision) 0.774 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.665 Model 5 Recall: 0.947 Precision: all: 0.64 allw: 0.819 <3: 0.882 <3w: 0.448 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.938 F-measure:(0,PrecisionIdealW) 0.619 Model 6 Recall: 0.944 Precision: all: 0.642 allw: 0.801 <3: 0.876 <3w: 0.462 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.866 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.632 Model 7 Recall: 0.958 Precision: all: 0.623 allw: 0.798 <3: 0.88 <3w: 0.473 F-measure:(Recall,Precision) 0.755 F-measure:(Recall,PrecisionW) 0.871 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.642 Model 8 Recall: 0.943 Precision: all: 0.638 allw: 0.819 <3: 0.879 <3w: 0.468 F-measure:(Recall,Precision) 0.761 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.637 Model 9 Recall: 0.957 Precision: all: 0.64 allw: 0.824 <3: 0.878 <3w: 0.463 F-measure:(Recall,Precision) 0.767 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.633 Model 10 Recall: 0.957 Precision: all: 0.659 allw: 0.819 <3: 0.878 <3w: 0.478 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.646 Model 11 Recall: 0.959 Precision: all: 0.638 allw: 0.81 <3: 0.882 <3w: 0.464 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 0.937 F-measure:(0,PrecisionIdealW) 0.633 Model 12 Recall: 0.958 Precision: all: 0.648 allw: 0.812 <3: 0.879 <3w: 0.47 F-measure:(Recall,Precision) 0.773 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.639 Model 13 Recall: 0.951 Precision: all: 0.631 allw: 0.815 <3: 0.878 <3w: 0.465 F-measure:(Recall,Precision) 0.759 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.635 Model 14 Recall: 0.959 Precision: all: 0.647 allw: 0.825 <3: 0.876 <3w: 0.467 F-measure:(Recall,Precision) 0.773 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.637 Model 15 Recall: 0.956 Precision: all: 0.636 allw: 0.817 <3: 0.877 <3w: 0.484 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.934 F-measure:(0,PrecisionIdealW) 0.652 Model 16 Recall: 0.959 Precision: all: 0.628 allw: 0.803 <3: 0.878 <3w: 0.444 F-measure:(Recall,Precision) 0.759 F-measure:(Recall,PrecisionW) 0.874 F-measure:(0,PrecisionIdeal) 0.935 F-measure:(0,PrecisionIdealW) 0.615 Model 17 Recall: 0.956 Precision: all: 0.643 allw: 0.823 <3: 0.88 <3w: 0.475 F-measure:(Recall,Precision) 0.769 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.644 Model 18 Recall: 0.954 Precision: all: 0.651 allw: 0.828 <3: 0.879 <3w: 0.472 F-measure:(Recall,Precision) 0.774 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.641 Model 19 Recall: 0.956 Precision: all: 0.642 allw: 0.834 <3: 0.881 <3w: 0.469 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.937 F-measure:(0,PrecisionIdealW) 0.638 Model 20 Recall: 0.952 Precision: all: 0.641 allw: 0.819 <3: 0.88 <3w: 0.474 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.644 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: 0.949 Final Precision-score for input query structures: 0.863 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.879 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: 0.904 F-score of ideal true structures: 0.936 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.832 Model 1 Final Recall-score for input query structures: 0.95 Final Precision-score for input query structures: 0.816 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.881 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: 0.878 F-score of ideal true structures: 0.937 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.691 Model 2 Final Recall-score for input query structures: 0.948 Final Precision-score for input query structures: 0.814 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: 0.876 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.677 Model 3 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.82 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.883 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: 0.88 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.698 Model 4 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.816 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: 0.878 F-score of ideal true structures: 0.939 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.684 Model 5 Final Recall-score for input query structures: 0.944 Final Precision-score for input query structures: 0.811 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.88 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: 0.872 F-score of ideal true structures: 0.936 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.663 Model 6 Final Recall-score for input query structures: 0.946 Final Precision-score for input query structures: 0.801 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: 0.867 F-score of ideal true structures: 0.937 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.634 Model 7 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.813 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: 0.877 F-score of ideal true structures: 0.937 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.686 Model 8 Final Recall-score for input query structures: 0.946 Final Precision-score for input query structures: 0.806 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.88 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: 0.87 F-score of ideal true structures: 0.936 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.653 Model 9 Final Recall-score for input query structures: 0.951 Final Precision-score for input query structures: 0.822 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.881 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: 0.937 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.712 Model 10 Final Recall-score for input query structures: 0.949 Final Precision-score for input query structures: 0.82 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.884 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: 0.88 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.698 Model 11 Final Recall-score for input query structures: 0.948 Final Precision-score for input query structures: 0.818 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.88 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: 0.878 F-score of ideal true structures: 0.936 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.695 Model 12 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.813 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: 0.877 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.682 Model 13 Final Recall-score for input query structures: 0.95 Final Precision-score for input query structures: 0.813 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: 0.876 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.677 Model 14 Final Recall-score for input query structures: 0.95 Final Precision-score for input query structures: 0.829 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.883 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: 0.885 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.724 Model 15 Final Recall-score for input query structures: 0.949 Final Precision-score for input query structures: 0.817 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: 0.878 F-score of ideal true structures: 0.937 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.691 Model 16 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.805 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: 0.872 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.656 Model 17 Final Recall-score for input query structures: 0.95 Final Precision-score for input query structures: 0.816 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.881 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: 0.878 F-score of ideal true structures: 0.937 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.691 Model 18 Final Recall-score for input query structures: 0.949 Final Precision-score for input query structures: 0.828 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.883 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: 0.884 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.719 Model 19 Final Recall-score for input query structures: 0.946 Final Precision-score for input query structures: 0.815 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.881 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: 0.876 F-score of ideal true structures: 0.937 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.681 Model 20 Final Recall-score for input query structures: 0.947 Final Precision-score for input query structures: 0.812 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: 0.874 F-score of ideal true structures: 0.938 F-score of freely-rotating-chain model: 0.746 DP-Score: 0.667 Statistics: =========== NOESY_Assign: User CPU Time: 48.8 sec. Syst CPU Time: 0.68 sec. Other Processes: User CPU Time: 0.45 sec. Syst CPU Time: 0.04 sec. Total Elapsed Time: 50 sec.