# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 08:27:49 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR4435B_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR4435B_NMR_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 98 Number of peaks NOT matched in the Peak List: 2 M score = 0.02 Average shift in HX: 0.0023 Average ab-shift in HX: 0.0045(Assignment used: 81) Average shift in X: 0.029 Average ab-shift in X: 0.058(Assignment used: 75) Average shift in HX2: 0.00034 Average ab-shift in HX2: 0.0068(Assignment used: 88) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0503(39/776) Model 1 Inconsistent score: 0.0412(32/776) Model 2 Inconsistent score: 0.0528(41/776) Model 3 Inconsistent score: 0.0593(46/776) Model 4 Inconsistent score: 0.0619(48/776) Model 5 Inconsistent score: 0.0541(42/776) Model 6 Inconsistent score: 0.0541(42/776) Model 7 Inconsistent score: 0.0593(46/776) Model 8 Inconsistent score: 0.0425(33/776) Model 9 Inconsistent score: 0.0399(31/776) Model 10 Inconsistent score: 0.0425(33/776) Model 11 Inconsistent score: 0.0412(32/776) Model 12 Inconsistent score: 0.0399(31/776) Model 13 Inconsistent score: 0.0399(31/776) Model 14 Inconsistent score: 0.0515(40/776) Model 15 Inconsistent score: 0.0567(44/776) Model 16 Inconsistent score: 0.049(38/776) Model 17 Inconsistent score: 0.058(45/776) Model 18 Inconsistent score: 0.0503(39/776) Model 19 Inconsistent score: 0.0528(41/776) Model 20 Inconsistent score: 0.0438(34/776) Model ave Missing interactions: 0.276 (261/946) weighted: 0.0547 (1.28e+05/2.33e+06) <3: 0.0342 (4/117) <3w: 0.00931 (7.96e+03/8.55e+05) Model 1 Missing interactions: 0.325 (349/1073) weighted: 0.0754 (2.31e+05/3.06e+06) <3: 0.0331 (4/121) <3w: 0.00934 (8.47e+03/9.07e+05) Model 2 Missing interactions: 0.338 (364/1077) weighted: 0.0701 (2.2e+05/3.14e+06) <3: 0.0317 (4/126) <3w: 0.00894 (8e+03/8.95e+05) Model 3 Missing interactions: 0.332 (353/1062) weighted: 0.0754 (2.3e+05/3.05e+06) <3: 0.0336 (4/119) <3w: 0.0101 (8.97e+03/8.88e+05) Model 4 Missing interactions: 0.334 (348/1042) weighted: 0.0906 (2.89e+05/3.19e+06) <3: 0.0323 (4/124) <3w: 0.00793 (7.32e+03/9.23e+05) Model 5 Missing interactions: 0.315 (329/1043) weighted: 0.0693 (2.18e+05/3.15e+06) <3: 0.0331 (4/121) <3w: 0.00826 (6.98e+03/8.45e+05) Model 6 Missing interactions: 0.323 (345/1068) weighted: 0.0794 (2.55e+05/3.22e+06) <3: 0.0336 (4/119) <3w: 0.00866 (7.72e+03/8.92e+05) Model 7 Missing interactions: 0.32 (333/1040) weighted: 0.0745 (2.37e+05/3.19e+06) <3: 0.0328 (4/122) <3w: 0.00792 (7.26e+03/9.16e+05) Model 8 Missing interactions: 0.321 (338/1054) weighted: 0.0781 (2.38e+05/3.05e+06) <3: 0.0325 (4/123) <3w: 0.0089 (7.66e+03/8.61e+05) Model 9 Missing interactions: 0.33 (355/1075) weighted: 0.0674 (2.06e+05/3.05e+06) <3: 0.0331 (4/121) <3w: 0.00843 (7.29e+03/8.65e+05) Model 10 Missing interactions: 0.342 (372/1089) weighted: 0.0994 (3.17e+05/3.19e+06) <3: 0.0328 (4/122) <3w: 0.00925 (8.34e+03/9.02e+05) Model 11 Missing interactions: 0.356 (399/1122) weighted: 0.0837 (2.49e+05/2.98e+06) <3: 0.0333 (4/120) <3w: 0.00877 (7.38e+03/8.42e+05) Model 12 Missing interactions: 0.341 (369/1081) weighted: 0.122 (3.78e+05/3.11e+06) <3: 0.0328 (4/122) <3w: 0.00951 (8.48e+03/8.91e+05) Model 13 Missing interactions: 0.333 (360/1082) weighted: 0.0823 (2.56e+05/3.11e+06) <3: 0.0328 (4/122) <3w: 0.0086 (7.76e+03/9.01e+05) Model 14 Missing interactions: 0.335 (364/1085) weighted: 0.0663 (2.03e+05/3.06e+06) <3: 0.0323 (4/124) <3w: 0.00919 (7.86e+03/8.54e+05) Model 15 Missing interactions: 0.334 (354/1059) weighted: 0.0859 (2.61e+05/3.04e+06) <3: 0.0328 (4/122) <3w: 0.00807 (7.08e+03/8.77e+05) Model 16 Missing interactions: 0.324 (339/1046) weighted: 0.0771 (2.41e+05/3.12e+06) <3: 0.0333 (4/120) <3w: 0.0083 (7.54e+03/9.08e+05) Model 17 Missing interactions: 0.333 (356/1069) weighted: 0.0624 (1.89e+05/3.02e+06) <3: 0.0336 (4/119) <3w: 0.00951 (8.27e+03/8.7e+05) Model 18 Missing interactions: 0.342 (368/1076) weighted: 0.0902 (2.72e+05/3.02e+06) <3: 0.0323 (4/124) <3w: 0.00845 (7.56e+03/8.95e+05) Model 19 Missing interactions: 0.342 (370/1082) weighted: 0.0782 (2.42e+05/3.1e+06) <3: 0.0336 (4/119) <3w: 0.00865 (7.79e+03/9.01e+05) Model 20 Missing interactions: 0.338 (374/1106) weighted: 0.101 (3.12e+05/3.1e+06) <3: 0.0331 (4/121) <3w: 0.0101 (8.63e+03/8.56e+05) Model ave Recall: 0.95 Precision: all: 0.724 allw: 0.945 <3: 0.966 <3w: 0.991 F-measure:(Recall,Precision) 0.822 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 Model 1 Recall: 0.959 Precision: all: 0.675 allw: 0.925 <3: 0.967 <3w: 0.991 F-measure:(Recall,Precision) 0.792 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 Model 2 Recall: 0.947 Precision: all: 0.662 allw: 0.93 <3: 0.968 <3w: 0.991 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.996 Model 3 Recall: 0.941 Precision: all: 0.668 allw: 0.925 <3: 0.966 <3w: 0.99 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 Model 4 Recall: 0.938 Precision: all: 0.666 allw: 0.909 <3: 0.968 <3w: 0.992 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.996 Model 5 Recall: 0.946 Precision: all: 0.685 allw: 0.931 <3: 0.967 <3w: 0.992 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 6 Recall: 0.946 Precision: all: 0.677 allw: 0.921 <3: 0.966 <3w: 0.991 F-measure:(Recall,Precision) 0.789 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 7 Recall: 0.941 Precision: all: 0.68 allw: 0.926 <3: 0.967 <3w: 0.992 F-measure:(Recall,Precision) 0.789 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 8 Recall: 0.957 Precision: all: 0.679 allw: 0.922 <3: 0.967 <3w: 0.991 F-measure:(Recall,Precision) 0.795 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 9 Recall: 0.96 Precision: all: 0.67 allw: 0.933 <3: 0.967 <3w: 0.992 F-measure:(Recall,Precision) 0.789 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 10 Recall: 0.957 Precision: all: 0.658 allw: 0.901 <3: 0.967 <3w: 0.991 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 Model 11 Recall: 0.959 Precision: all: 0.644 allw: 0.916 <3: 0.967 <3w: 0.991 F-measure:(Recall,Precision) 0.771 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 12 Recall: 0.96 Precision: all: 0.659 allw: 0.878 <3: 0.967 <3w: 0.99 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.917 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 Model 13 Recall: 0.96 Precision: all: 0.667 allw: 0.918 <3: 0.967 <3w: 0.991 F-measure:(Recall,Precision) 0.787 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 14 Recall: 0.948 Precision: all: 0.665 allw: 0.934 <3: 0.968 <3w: 0.991 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.995 Model 15 Recall: 0.943 Precision: all: 0.666 allw: 0.914 <3: 0.967 <3w: 0.992 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 16 Recall: 0.951 Precision: all: 0.676 allw: 0.923 <3: 0.967 <3w: 0.992 F-measure:(Recall,Precision) 0.79 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 17 Recall: 0.942 Precision: all: 0.667 allw: 0.938 <3: 0.966 <3w: 0.99 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 Model 18 Recall: 0.95 Precision: all: 0.658 allw: 0.91 <3: 0.968 <3w: 0.992 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.996 Model 19 Recall: 0.947 Precision: all: 0.658 allw: 0.922 <3: 0.966 <3w: 0.991 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 20 Recall: 0.956 Precision: all: 0.662 allw: 0.899 <3: 0.967 <3w: 0.99 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 For freely-rotating-chain model: Model ave Inconsistent score: 0.323(251/776) Model ave Missing interactions: 0.19 (107/563) weighted: 0.0889 (3.26e+04/3.67e+05) <3: 0.0603 (7/116) <3w: 0.0492 (1.08e+04/2.2e+05) Recall: 0.677 Precision: all: 0.81 allw: 0.911 F-measure:(RecallFree,PrecisionFree) 0.737 F-measure:(ReallFree,PrecisionFreeW) 0.776 # Summary for c_aro.peaks Total simulated peaks: 13 Number of peaks NOT matched in the Peak List: 3 M score = 0.23 Average shift in HX: 0.002 Average ab-shift in HX: 0.0057(Assignment used: 7) Average shift in X: -0.045 Average ab-shift in X: 0.058(Assignment used: 7) Average shift in HX2: -0.0008 Average ab-shift in HX2: 0.006(Assignment used: 10) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.119(15/126) Model 1 Inconsistent score: 0.127(16/126) Model 2 Inconsistent score: 0.119(15/126) Model 3 Inconsistent score: 0.127(16/126) Model 4 Inconsistent score: 0.119(15/126) Model 5 Inconsistent score: 0.111(14/126) Model 6 Inconsistent score: 0.135(17/126) Model 7 Inconsistent score: 0.111(14/126) Model 8 Inconsistent score: 0.135(17/126) Model 9 Inconsistent score: 0.127(16/126) Model 10 Inconsistent score: 0.111(14/126) Model 11 Inconsistent score: 0.111(14/126) Model 12 Inconsistent score: 0.151(19/126) Model 13 Inconsistent score: 0.143(18/126) Model 14 Inconsistent score: 0.135(17/126) Model 15 Inconsistent score: 0.143(18/126) Model 16 Inconsistent score: 0.143(18/126) Model 17 Inconsistent score: 0.151(19/126) Model 18 Inconsistent score: 0.111(14/126) Model 19 Inconsistent score: 0.103(13/126) Model 20 Inconsistent score: 0.143(18/126) Model ave Missing interactions: 0.572 (135/236) weighted: 0.233 (4.33e+04/1.86e+05) <3: 0.263 (5/19) <3w: 0.17 (9.91e+03/5.82e+04) Model 1 Missing interactions: 0.637 (188/295) weighted: 0.337 (1.22e+05/3.63e+05) <3: 0.25 (5/20) <3w: 0.169 (9.78e+03/5.79e+04) Model 2 Missing interactions: 0.646 (204/316) weighted: 0.379 (1.29e+05/3.4e+05) <3: 0.238 (5/21) <3w: 0.168 (9.78e+03/5.82e+04) Model 3 Missing interactions: 0.641 (191/298) weighted: 0.327 (1.04e+05/3.17e+05) <3: 0.25 (5/20) <3w: 0.168 (9.78e+03/5.81e+04) Model 4 Missing interactions: 0.626 (186/297) weighted: 0.276 (8.99e+04/3.26e+05) <3: 0.25 (5/20) <3w: 0.172 (1e+04/5.84e+04) Model 5 Missing interactions: 0.631 (178/282) weighted: 0.339 (1.1e+05/3.24e+05) <3: 0.263 (5/19) <3w: 0.167 (9.78e+03/5.85e+04) Model 6 Missing interactions: 0.615 (168/273) weighted: 0.357 (1.13e+05/3.16e+05) <3: 0.238 (5/21) <3w: 0.171 (1e+04/5.86e+04) Model 7 Missing interactions: 0.657 (211/321) weighted: 0.326 (1.57e+05/4.81e+05) <3: 0.25 (5/20) <3w: 0.169 (9.78e+03/5.8e+04) Model 8 Missing interactions: 0.637 (172/270) weighted: 0.32 (1.03e+05/3.23e+05) <3: 0.263 (5/19) <3w: 0.168 (9.79e+03/5.83e+04) Model 9 Missing interactions: 0.632 (189/299) weighted: 0.356 (1.39e+05/3.9e+05) <3: 0.227 (5/22) <3w: 0.166 (9.79e+03/5.89e+04) Model 10 Missing interactions: 0.605 (176/291) weighted: 0.217 (8.54e+04/3.94e+05) <3: 0.263 (5/19) <3w: 0.169 (9.78e+03/5.79e+04) Model 11 Missing interactions: 0.643 (198/308) weighted: 0.375 (1.56e+05/4.17e+05) <3: 0.238 (5/21) <3w: 0.167 (9.79e+03/5.87e+04) Model 12 Missing interactions: 0.633 (178/281) weighted: 0.388 (1.25e+05/3.21e+05) <3: 0.263 (5/19) <3w: 0.169 (9.78e+03/5.78e+04) Model 13 Missing interactions: 0.605 (155/256) weighted: 0.37 (1.13e+05/3.06e+05) <3: 0.263 (5/19) <3w: 0.169 (9.78e+03/5.8e+04) Model 14 Missing interactions: 0.639 (184/288) weighted: 0.382 (1.46e+05/3.82e+05) <3: 0.238 (5/21) <3w: 0.172 (1e+04/5.85e+04) Model 15 Missing interactions: 0.602 (165/274) weighted: 0.311 (1.14e+05/3.66e+05) <3: 0.263 (5/19) <3w: 0.169 (9.78e+03/5.8e+04) Model 16 Missing interactions: 0.612 (158/258) weighted: 0.425 (1.19e+05/2.81e+05) <3: 0.278 (5/18) <3w: 0.17 (9.78e+03/5.77e+04) Model 17 Missing interactions: 0.651 (196/301) weighted: 0.289 (1.15e+05/3.98e+05) <3: 0.25 (5/20) <3w: 0.169 (9.78e+03/5.8e+04) Model 18 Missing interactions: 0.641 (202/315) weighted: 0.33 (1.21e+05/3.67e+05) <3: 0.25 (5/20) <3w: 0.169 (9.79e+03/5.79e+04) Model 19 Missing interactions: 0.627 (183/292) weighted: 0.366 (1.52e+05/4.17e+05) <3: 0.25 (5/20) <3w: 0.169 (9.79e+03/5.8e+04) Model 20 Missing interactions: 0.636 (185/291) weighted: 0.331 (1.2e+05/3.62e+05) <3: 0.227 (5/22) <3w: 0.159 (9.78e+03/6.15e+04) Model ave Recall: 0.881 Precision: all: 0.428 allw: 0.767 <3: 0.737 <3w: 0.83 F-measure:(Recall,Precision) 0.576 F-measure:(Recall,PrecisionW) 0.82 F-measure:(0,PrecisionIdeal) 0.848 F-measure:(0,PrecisionIdealW) 0.907 Model 1 Recall: 0.873 Precision: all: 0.363 allw: 0.663 <3: 0.75 <3w: 0.831 F-measure:(Recall,Precision) 0.512 F-measure:(Recall,PrecisionW) 0.753 F-measure:(0,PrecisionIdeal) 0.857 F-measure:(0,PrecisionIdealW) 0.908 Model 2 Recall: 0.881 Precision: all: 0.354 allw: 0.621 <3: 0.762 <3w: 0.832 F-measure:(Recall,Precision) 0.505 F-measure:(Recall,PrecisionW) 0.728 F-measure:(0,PrecisionIdeal) 0.865 F-measure:(0,PrecisionIdealW) 0.908 Model 3 Recall: 0.873 Precision: all: 0.359 allw: 0.673 <3: 0.75 <3w: 0.832 F-measure:(Recall,Precision) 0.509 F-measure:(Recall,PrecisionW) 0.76 F-measure:(0,PrecisionIdeal) 0.857 F-measure:(0,PrecisionIdealW) 0.908 Model 4 Recall: 0.881 Precision: all: 0.374 allw: 0.724 <3: 0.75 <3w: 0.828 F-measure:(Recall,Precision) 0.525 F-measure:(Recall,PrecisionW) 0.795 F-measure:(0,PrecisionIdeal) 0.857 F-measure:(0,PrecisionIdealW) 0.906 Model 5 Recall: 0.889 Precision: all: 0.369 allw: 0.661 <3: 0.737 <3w: 0.833 F-measure:(Recall,Precision) 0.521 F-measure:(Recall,PrecisionW) 0.758 F-measure:(0,PrecisionIdeal) 0.848 F-measure:(0,PrecisionIdealW) 0.909 Model 6 Recall: 0.865 Precision: all: 0.385 allw: 0.643 <3: 0.762 <3w: 0.829 F-measure:(Recall,Precision) 0.532 F-measure:(Recall,PrecisionW) 0.738 F-measure:(0,PrecisionIdeal) 0.865 F-measure:(0,PrecisionIdealW) 0.906 Model 7 Recall: 0.889 Precision: all: 0.343 allw: 0.674 <3: 0.75 <3w: 0.831 F-measure:(Recall,Precision) 0.495 F-measure:(Recall,PrecisionW) 0.767 F-measure:(0,PrecisionIdeal) 0.857 F-measure:(0,PrecisionIdealW) 0.908 Model 8 Recall: 0.865 Precision: all: 0.363 allw: 0.68 <3: 0.737 <3w: 0.832 F-measure:(Recall,Precision) 0.511 F-measure:(Recall,PrecisionW) 0.761 F-measure:(0,PrecisionIdeal) 0.848 F-measure:(0,PrecisionIdealW) 0.908 Model 9 Recall: 0.873 Precision: all: 0.368 allw: 0.644 <3: 0.773 <3w: 0.834 F-measure:(Recall,Precision) 0.518 F-measure:(Recall,PrecisionW) 0.741 F-measure:(0,PrecisionIdeal) 0.872 F-measure:(0,PrecisionIdealW) 0.909 Model 10 Recall: 0.889 Precision: all: 0.395 allw: 0.783 <3: 0.737 <3w: 0.831 F-measure:(Recall,Precision) 0.547 F-measure:(Recall,PrecisionW) 0.833 F-measure:(0,PrecisionIdeal) 0.848 F-measure:(0,PrecisionIdealW) 0.908 Model 11 Recall: 0.889 Precision: all: 0.357 allw: 0.625 <3: 0.762 <3w: 0.833 F-measure:(Recall,Precision) 0.51 F-measure:(Recall,PrecisionW) 0.734 F-measure:(0,PrecisionIdeal) 0.865 F-measure:(0,PrecisionIdealW) 0.909 Model 12 Recall: 0.849 Precision: all: 0.367 allw: 0.612 <3: 0.737 <3w: 0.831 F-measure:(Recall,Precision) 0.512 F-measure:(Recall,PrecisionW) 0.711 F-measure:(0,PrecisionIdeal) 0.848 F-measure:(0,PrecisionIdealW) 0.908 Model 13 Recall: 0.857 Precision: all: 0.395 allw: 0.63 <3: 0.737 <3w: 0.831 F-measure:(Recall,Precision) 0.54 F-measure:(Recall,PrecisionW) 0.727 F-measure:(0,PrecisionIdeal) 0.848 F-measure:(0,PrecisionIdealW) 0.908 Model 14 Recall: 0.865 Precision: all: 0.361 allw: 0.618 <3: 0.762 <3w: 0.828 F-measure:(Recall,Precision) 0.51 F-measure:(Recall,PrecisionW) 0.721 F-measure:(0,PrecisionIdeal) 0.865 F-measure:(0,PrecisionIdealW) 0.906 Model 15 Recall: 0.857 Precision: all: 0.398 allw: 0.689 <3: 0.737 <3w: 0.831 F-measure:(Recall,Precision) 0.543 F-measure:(Recall,PrecisionW) 0.764 F-measure:(0,PrecisionIdeal) 0.848 F-measure:(0,PrecisionIdealW) 0.908 Model 16 Recall: 0.857 Precision: all: 0.388 allw: 0.575 <3: 0.722 <3w: 0.83 F-measure:(Recall,Precision) 0.534 F-measure:(Recall,PrecisionW) 0.688 F-measure:(0,PrecisionIdeal) 0.839 F-measure:(0,PrecisionIdealW) 0.907 Model 17 Recall: 0.849 Precision: all: 0.349 allw: 0.711 <3: 0.75 <3w: 0.831 F-measure:(Recall,Precision) 0.495 F-measure:(Recall,PrecisionW) 0.774 F-measure:(0,PrecisionIdeal) 0.857 F-measure:(0,PrecisionIdealW) 0.908 Model 18 Recall: 0.889 Precision: all: 0.359 allw: 0.67 <3: 0.75 <3w: 0.831 F-measure:(Recall,Precision) 0.511 F-measure:(Recall,PrecisionW) 0.764 F-measure:(0,PrecisionIdeal) 0.857 F-measure:(0,PrecisionIdealW) 0.908 Model 19 Recall: 0.897 Precision: all: 0.373 allw: 0.634 <3: 0.75 <3w: 0.831 F-measure:(Recall,Precision) 0.527 F-measure:(Recall,PrecisionW) 0.743 F-measure:(0,PrecisionIdeal) 0.857 F-measure:(0,PrecisionIdealW) 0.908 Model 20 Recall: 0.857 Precision: all: 0.364 allw: 0.669 <3: 0.773 <3w: 0.841 F-measure:(Recall,Precision) 0.511 F-measure:(Recall,PrecisionW) 0.751 F-measure:(0,PrecisionIdeal) 0.872 F-measure:(0,PrecisionIdealW) 0.914 For freely-rotating-chain model: Model ave Inconsistent score: 0.619(78/126) Model ave Missing interactions: 0.558 (43/77) weighted: 0.555 (2.4e+04/4.33e+04) <3: 0.559 (19/34) <3w: 0.579 (2.15e+04/3.71e+04) Recall: 0.381 Precision: all: 0.442 allw: 0.445 F-measure:(RecallFree,PrecisionFree) 0.409 F-measure:(ReallFree,PrecisionFreeW) 0.411 # Summary for c_ali.peaks Total simulated peaks: 470 Number of peaks NOT matched in the Peak List: 34 M score = 0.072 Average shift in HX: 0.0034 Average ab-shift in HX: 0.0051(Assignment used: 238) Average shift in X: -0.09 Average ab-shift in X: 0.11(Assignment used: 190) Average shift in HX2: 0.0047 Average ab-shift in HX2: 0.0084(Assignment used: 283) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.0692(128/1850) Model 1 Inconsistent score: 0.0692(128/1850) Model 2 Inconsistent score: 0.0768(142/1850) Model 3 Inconsistent score: 0.0784(145/1850) Model 4 Inconsistent score: 0.0789(146/1850) Model 5 Inconsistent score: 0.0746(138/1850) Model 6 Inconsistent score: 0.0708(131/1850) Model 7 Inconsistent score: 0.0724(134/1850) Model 8 Inconsistent score: 0.0757(140/1850) Model 9 Inconsistent score: 0.0719(133/1850) Model 10 Inconsistent score: 0.0746(138/1850) Model 11 Inconsistent score: 0.0822(152/1850) Model 12 Inconsistent score: 0.073(135/1850) Model 13 Inconsistent score: 0.0746(138/1850) Model 14 Inconsistent score: 0.0805(149/1850) Model 15 Inconsistent score: 0.0714(132/1850) Model 16 Inconsistent score: 0.0778(144/1850) Model 17 Inconsistent score: 0.0719(133/1850) Model 18 Inconsistent score: 0.073(135/1850) Model 19 Inconsistent score: 0.0605(112/1850) Model 20 Inconsistent score: 0.0714(132/1850) Model ave Missing interactions: 0.425 (1.08e+03/2532) weighted: 0.0803 (4.93e+05/6.14e+06) <3: 0.0505 (19/376) <3w: 0.0282 (1.09e+05/3.88e+06) Model 1 Missing interactions: 0.482 (1.43e+03/2964) weighted: 0.135 (1.13e+06/8.37e+06) <3: 0.0499 (19/381) <3w: 0.0272 (1.1e+05/4.04e+06) Model 2 Missing interactions: 0.481 (1.38e+03/2861) weighted: 0.135 (1.15e+06/8.57e+06) <3: 0.0491 (19/387) <3w: 0.0291 (1.17e+05/4.03e+06) Model 3 Missing interactions: 0.485 (1.44e+03/2966) weighted: 0.153 (1.3e+06/8.48e+06) <3: 0.0501 (19/379) <3w: 0.0277 (1.1e+05/3.97e+06) Model 4 Missing interactions: 0.477 (1.39e+03/2909) weighted: 0.148 (1.27e+06/8.58e+06) <3: 0.0497 (19/382) <3w: 0.0266 (1.06e+05/4e+06) Model 5 Missing interactions: 0.468 (1.3e+03/2769) weighted: 0.126 (1.03e+06/8.17e+06) <3: 0.0503 (19/378) <3w: 0.0281 (1.12e+05/3.96e+06) Model 6 Missing interactions: 0.478 (1.4e+03/2933) weighted: 0.146 (1.24e+06/8.49e+06) <3: 0.05 (19/380) <3w: 0.0275 (1.1e+05/4.01e+06) Model 7 Missing interactions: 0.475 (1.39e+03/2931) weighted: 0.137 (1.17e+06/8.51e+06) <3: 0.05 (19/380) <3w: 0.0275 (1.09e+05/3.97e+06) Model 8 Missing interactions: 0.485 (1.42e+03/2924) weighted: 0.147 (1.25e+06/8.51e+06) <3: 0.0497 (19/382) <3w: 0.0282 (1.12e+05/3.97e+06) Model 9 Missing interactions: 0.479 (1.44e+03/3012) weighted: 0.145 (1.28e+06/8.81e+06) <3: 0.0501 (19/379) <3w: 0.0273 (1.08e+05/3.94e+06) Model 10 Missing interactions: 0.486 (1.45e+03/2988) weighted: 0.157 (1.37e+06/8.72e+06) <3: 0.0501 (19/379) <3w: 0.0288 (1.16e+05/4.02e+06) Model 11 Missing interactions: 0.482 (1.4e+03/2910) weighted: 0.133 (1.09e+06/8.19e+06) <3: 0.0499 (19/381) <3w: 0.0281 (1.12e+05/3.97e+06) Model 12 Missing interactions: 0.474 (1.37e+03/2894) weighted: 0.147 (1.27e+06/8.6e+06) <3: 0.0499 (19/381) <3w: 0.0278 (1.11e+05/4e+06) Model 13 Missing interactions: 0.484 (1.42e+03/2930) weighted: 0.136 (1.17e+06/8.57e+06) <3: 0.0499 (19/381) <3w: 0.0277 (1.11e+05/3.99e+06) Model 14 Missing interactions: 0.473 (1.35e+03/2865) weighted: 0.129 (1.11e+06/8.64e+06) <3: 0.0496 (19/383) <3w: 0.027 (1.08e+05/4.01e+06) Model 15 Missing interactions: 0.478 (1.4e+03/2933) weighted: 0.157 (1.39e+06/8.89e+06) <3: 0.0501 (19/379) <3w: 0.0285 (1.15e+05/4.05e+06) Model 16 Missing interactions: 0.474 (1.38e+03/2916) weighted: 0.15 (1.28e+06/8.55e+06) <3: 0.0503 (19/378) <3w: 0.0272 (1.08e+05/3.99e+06) Model 17 Missing interactions: 0.476 (1.4e+03/2942) weighted: 0.142 (1.2e+06/8.44e+06) <3: 0.0501 (19/379) <3w: 0.0281 (1.12e+05/3.99e+06) Model 18 Missing interactions: 0.476 (1.39e+03/2925) weighted: 0.135 (1.12e+06/8.31e+06) <3: 0.0497 (19/382) <3w: 0.028 (1.12e+05/4e+06) Model 19 Missing interactions: 0.475 (1.38e+03/2912) weighted: 0.13 (1.09e+06/8.39e+06) <3: 0.0501 (19/379) <3w: 0.0279 (1.11e+05/3.97e+06) Model 20 Missing interactions: 0.477 (1.41e+03/2951) weighted: 0.136 (1.18e+06/8.7e+06) <3: 0.0499 (19/381) <3w: 0.0265 (1.07e+05/4.05e+06) Model ave Recall: 0.931 Precision: all: 0.575 allw: 0.92 <3: 0.949 <3w: 0.972 F-measure:(Recall,Precision) 0.711 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 1 Recall: 0.931 Precision: all: 0.518 allw: 0.865 <3: 0.95 <3w: 0.973 F-measure:(Recall,Precision) 0.665 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 2 Recall: 0.923 Precision: all: 0.519 allw: 0.865 <3: 0.951 <3w: 0.971 F-measure:(Recall,Precision) 0.665 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 3 Recall: 0.922 Precision: all: 0.515 allw: 0.847 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 4 Recall: 0.921 Precision: all: 0.523 allw: 0.852 <3: 0.95 <3w: 0.973 F-measure:(Recall,Precision) 0.667 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.987 Model 5 Recall: 0.925 Precision: all: 0.532 allw: 0.874 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.676 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 6 Recall: 0.929 Precision: all: 0.522 allw: 0.854 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.668 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 7 Recall: 0.928 Precision: all: 0.525 allw: 0.863 <3: 0.95 <3w: 0.973 F-measure:(Recall,Precision) 0.671 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 8 Recall: 0.924 Precision: all: 0.515 allw: 0.853 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 9 Recall: 0.928 Precision: all: 0.521 allw: 0.855 <3: 0.95 <3w: 0.973 F-measure:(Recall,Precision) 0.667 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 10 Recall: 0.925 Precision: all: 0.514 allw: 0.843 <3: 0.95 <3w: 0.971 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 11 Recall: 0.918 Precision: all: 0.518 allw: 0.867 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.662 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 12 Recall: 0.927 Precision: all: 0.526 allw: 0.853 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.671 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 13 Recall: 0.925 Precision: all: 0.516 allw: 0.864 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.662 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 14 Recall: 0.919 Precision: all: 0.527 allw: 0.871 <3: 0.95 <3w: 0.973 F-measure:(Recall,Precision) 0.67 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.986 Model 15 Recall: 0.929 Precision: all: 0.522 allw: 0.843 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.668 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 16 Recall: 0.922 Precision: all: 0.526 allw: 0.85 <3: 0.95 <3w: 0.973 F-measure:(Recall,Precision) 0.67 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 17 Recall: 0.928 Precision: all: 0.524 allw: 0.858 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.67 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 18 Recall: 0.927 Precision: all: 0.524 allw: 0.865 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.669 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 19 Recall: 0.939 Precision: all: 0.525 allw: 0.87 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.673 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 20 Recall: 0.929 Precision: all: 0.523 allw: 0.864 <3: 0.95 <3w: 0.973 F-measure:(Recall,Precision) 0.669 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.987 For freely-rotating-chain model: Model ave Inconsistent score: 0.375(694/1850) Model ave Missing interactions: 0.33 (409/1240) weighted: 0.119 (1.07e+05/9.01e+05) <3: 0.0516 (19/368) <3w: 0.0364 (2.38e+04/6.53e+05) Recall: 0.625 Precision: all: 0.67 allw: 0.881 F-measure:(RecallFree,PrecisionFree) 0.647 F-measure:(ReallFree,PrecisionFreeW) 0.731 Final M-score 0.0671 39/581 Model ave Final Recall-score for input query structures: 0.934 Final Precision-score for input query structures: 0.923 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.973 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.929 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.773 Model 1 Final Recall-score for input query structures: 0.936 Final Precision-score for input query structures: 0.874 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.676 Model 2 Final Recall-score for input query structures: 0.928 Final Precision-score for input query structures: 0.875 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.973 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.667 Model 3 Final Recall-score for input query structures: 0.925 Final Precision-score for input query structures: 0.862 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.892 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.629 Model 4 Final Recall-score for input query structures: 0.924 Final Precision-score for input query structures: 0.864 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.975 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.893 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.633 Model 5 Final Recall-score for input query structures: 0.93 Final Precision-score for input query structures: 0.883 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.906 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.684 Model 6 Final Recall-score for input query structures: 0.931 Final Precision-score for input query structures: 0.866 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.898 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.652 Model 7 Final Recall-score for input query structures: 0.93 Final Precision-score for input query structures: 0.872 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.66 Model 8 Final Recall-score for input query structures: 0.931 Final Precision-score for input query structures: 0.866 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.897 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.648 Model 9 Final Recall-score for input query structures: 0.935 Final Precision-score for input query structures: 0.867 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.66 Model 10 Final Recall-score for input query structures: 0.933 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.973 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.893 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.635 Model 11 Final Recall-score for input query structures: 0.928 Final Precision-score for input query structures: 0.871 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.656 Model 12 Final Recall-score for input query structures: 0.933 Final Precision-score for input query structures: 0.853 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.891 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.625 Model 13 Final Recall-score for input query structures: 0.932 Final Precision-score for input query structures: 0.872 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.664 Model 14 Final Recall-score for input query structures: 0.925 Final Precision-score for input query structures: 0.879 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.902 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.668 Model 15 Final Recall-score for input query structures: 0.93 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.891 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.625 Model 16 Final Recall-score for input query structures: 0.927 Final Precision-score for input query structures: 0.862 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.975 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.894 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.637 Model 17 Final Recall-score for input query structures: 0.928 Final Precision-score for input query structures: 0.873 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.66 Model 18 Final Recall-score for input query structures: 0.932 Final Precision-score for input query structures: 0.871 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.66 Model 19 Final Recall-score for input query structures: 0.94 Final Precision-score for input query structures: 0.875 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.906 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.684 Model 20 Final Recall-score for input query structures: 0.933 Final Precision-score for input query structures: 0.867 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.975 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.656 Statistics: =========== NOESY_Assign: User CPU Time: 22.6 sec. Syst CPU Time: 0.4 sec. Other Processes: User CPU Time: 0.35 sec. Syst CPU Time: 0.03 sec. Total Elapsed Time: 23.4 sec.