# created by ASDP Version 1.0 Copyright(C) 2010 # Thu May 9 22:53:11 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/CSR4_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q CSR4_NMR_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 122 Number of peaks NOT matched in the Peak List: 12 M score = 0.098 Average shift in HX: 0.0009 Average ab-shift in HX: 0.0036(Assignment used: 76) Average shift in X: -0.011 Average ab-shift in X: 0.034(Assignment used: 73) Average shift in HX2: -0.0044 Average ab-shift in HX2: 0.01(Assignment used: 97) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.101(87/859) Model 1 Inconsistent score: 0.0885(76/859) Model 2 Inconsistent score: 0.0885(76/859) Model 3 Inconsistent score: 0.0931(80/859) Model 4 Inconsistent score: 0.104(89/859) Model 5 Inconsistent score: 0.101(87/859) Model 6 Inconsistent score: 0.109(94/859) Model 7 Inconsistent score: 0.0908(78/859) Model 8 Inconsistent score: 0.102(88/859) Model 9 Inconsistent score: 0.0885(76/859) Model 10 Inconsistent score: 0.0978(84/859) Model 11 Inconsistent score: 0.101(87/859) Model 12 Inconsistent score: 0.104(89/859) Model 13 Inconsistent score: 0.102(88/859) Model 14 Inconsistent score: 0.099(85/859) Model 15 Inconsistent score: 0.109(94/859) Model 16 Inconsistent score: 0.0955(82/859) Model 17 Inconsistent score: 0.113(97/859) Model 18 Inconsistent score: 0.106(91/859) Model 19 Inconsistent score: 0.109(94/859) Model 20 Inconsistent score: 0.0955(82/859) Model ave Missing interactions: 0.232 (251/1084) weighted: 0.0457 (1.05e+05/2.3e+06) <3: 0.0168 (2/119) <3w: 0.00878 (6.16e+03/7.01e+05) Model 1 Missing interactions: 0.242 (271/1118) weighted: 0.0522 (1.32e+05/2.53e+06) <3: 0.0169 (2/118) <3w: 0.00792 (5.58e+03/7.05e+05) Model 2 Missing interactions: 0.238 (266/1117) weighted: 0.049 (1.3e+05/2.65e+06) <3: 0.0165 (2/121) <3w: 0.00655 (4.68e+03/7.14e+05) Model 3 Missing interactions: 0.248 (280/1131) weighted: 0.0481 (1.19e+05/2.48e+06) <3: 0.0167 (2/120) <3w: 0.00688 (4.82e+03/7.01e+05) Model 4 Missing interactions: 0.23 (249/1082) weighted: 0.0516 (1.3e+05/2.53e+06) <3: 0.0168 (2/119) <3w: 0.00902 (6.32e+03/7e+05) Model 5 Missing interactions: 0.234 (257/1097) weighted: 0.0531 (1.35e+05/2.54e+06) <3: 0.0167 (2/120) <3w: 0.00766 (5.51e+03/7.19e+05) Model 6 Missing interactions: 0.239 (263/1101) weighted: 0.0481 (1.19e+05/2.48e+06) <3: 0.0167 (2/120) <3w: 0.00638 (4.48e+03/7.03e+05) Model 7 Missing interactions: 0.238 (264/1111) weighted: 0.0488 (1.22e+05/2.51e+06) <3: 0.0167 (2/120) <3w: 0.00699 (4.94e+03/7.07e+05) Model 8 Missing interactions: 0.232 (255/1101) weighted: 0.0509 (1.32e+05/2.59e+06) <3: 0.0167 (2/120) <3w: 0.00624 (4.38e+03/7.02e+05) Model 9 Missing interactions: 0.252 (288/1142) weighted: 0.0513 (1.29e+05/2.52e+06) <3: 0.0167 (2/120) <3w: 0.00609 (4.48e+03/7.35e+05) Model 10 Missing interactions: 0.236 (257/1089) weighted: 0.0448 (1.16e+05/2.6e+06) <3: 0.0168 (2/119) <3w: 0.00636 (4.71e+03/7.42e+05) Model 11 Missing interactions: 0.233 (255/1095) weighted: 0.0455 (1.13e+05/2.49e+06) <3: 0.0168 (2/119) <3w: 0.00686 (4.94e+03/7.2e+05) Model 12 Missing interactions: 0.236 (260/1103) weighted: 0.0496 (1.24e+05/2.5e+06) <3: 0.0167 (2/120) <3w: 0.0064 (4.64e+03/7.24e+05) Model 13 Missing interactions: 0.24 (265/1106) weighted: 0.0496 (1.26e+05/2.53e+06) <3: 0.0167 (2/120) <3w: 0.00651 (4.63e+03/7.1e+05) Model 14 Missing interactions: 0.229 (251/1094) weighted: 0.056 (1.35e+05/2.41e+06) <3: 0.0168 (2/119) <3w: 0.00663 (4.53e+03/6.84e+05) Model 15 Missing interactions: 0.24 (264/1102) weighted: 0.049 (1.21e+05/2.47e+06) <3: 0.0167 (2/120) <3w: 0.00878 (6.02e+03/6.86e+05) Model 16 Missing interactions: 0.244 (273/1121) weighted: 0.0486 (1.23e+05/2.53e+06) <3: 0.0167 (2/120) <3w: 0.00601 (4.29e+03/7.13e+05) Model 17 Missing interactions: 0.229 (246/1073) weighted: 0.0435 (1.08e+05/2.48e+06) <3: 0.0168 (2/119) <3w: 0.0103 (7.18e+03/6.97e+05) Model 18 Missing interactions: 0.235 (259/1102) weighted: 0.0442 (1.12e+05/2.53e+06) <3: 0.0167 (2/120) <3w: 0.00704 (4.94e+03/7.02e+05) Model 19 Missing interactions: 0.233 (251/1075) weighted: 0.052 (1.26e+05/2.42e+06) <3: 0.0168 (2/119) <3w: 0.00667 (4.58e+03/6.86e+05) Model 20 Missing interactions: 0.23 (251/1093) weighted: 0.05 (1.24e+05/2.49e+06) <3: 0.0167 (2/120) <3w: 0.0062 (4.38e+03/7.07e+05) Model ave Recall: 0.899 Precision: all: 0.768 allw: 0.954 <3: 0.983 <3w: 0.991 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 1 Recall: 0.912 Precision: all: 0.758 allw: 0.948 <3: 0.983 <3w: 0.992 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.991 F-measure:(0,PrecisionIdealW) 0.996 Model 2 Recall: 0.912 Precision: all: 0.762 allw: 0.951 <3: 0.983 <3w: 0.993 F-measure:(Recall,Precision) 0.83 F-measure:(Recall,PrecisionW) 0.931 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 3 Recall: 0.907 Precision: all: 0.752 allw: 0.952 <3: 0.983 <3w: 0.993 F-measure:(Recall,Precision) 0.822 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 4 Recall: 0.896 Precision: all: 0.77 allw: 0.948 <3: 0.983 <3w: 0.991 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.995 Model 5 Recall: 0.899 Precision: all: 0.766 allw: 0.947 <3: 0.983 <3w: 0.992 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 6 Recall: 0.891 Precision: all: 0.761 allw: 0.952 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 7 Recall: 0.909 Precision: all: 0.762 allw: 0.951 <3: 0.983 <3w: 0.993 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 8 Recall: 0.898 Precision: all: 0.768 allw: 0.949 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 9 Recall: 0.912 Precision: all: 0.748 allw: 0.949 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.822 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 10 Recall: 0.902 Precision: all: 0.764 allw: 0.955 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 11 Recall: 0.899 Precision: all: 0.767 allw: 0.955 <3: 0.983 <3w: 0.993 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 12 Recall: 0.896 Precision: all: 0.764 allw: 0.95 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.825 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 13 Recall: 0.898 Precision: all: 0.76 allw: 0.95 <3: 0.983 <3w: 0.993 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 14 Recall: 0.901 Precision: all: 0.771 allw: 0.944 <3: 0.983 <3w: 0.993 F-measure:(Recall,Precision) 0.831 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 15 Recall: 0.891 Precision: all: 0.76 allw: 0.951 <3: 0.983 <3w: 0.991 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 16 Recall: 0.905 Precision: all: 0.756 allw: 0.951 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 17 Recall: 0.887 Precision: all: 0.771 allw: 0.957 <3: 0.983 <3w: 0.99 F-measure:(Recall,Precision) 0.825 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.995 Model 18 Recall: 0.894 Precision: all: 0.765 allw: 0.956 <3: 0.983 <3w: 0.993 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 19 Recall: 0.891 Precision: all: 0.767 allw: 0.948 <3: 0.983 <3w: 0.993 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 20 Recall: 0.905 Precision: all: 0.77 allw: 0.95 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.832 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 For freely-rotating-chain model: Model ave Inconsistent score: 0.403(346/859) Model ave Missing interactions: 0.148 (85/575) weighted: 0.059 (1.92e+04/3.25e+05) <3: 0.0172 (2/116) <3w: 0.0106 (1.86e+03/1.75e+05) Recall: 0.597 Precision: all: 0.852 allw: 0.941 F-measure:(RecallFree,PrecisionFree) 0.702 F-measure:(ReallFree,PrecisionFreeW) 0.731 # Summary for ali.peaks Total simulated peaks: 553 Number of peaks NOT matched in the Peak List: 422 M score = 0.76 Average shift in HX: 0.0035 Average ab-shift in HX: 0.0074(Assignment used: 64) Average shift in X: 0.0018 Average ab-shift in X: 0.053(Assignment used: 46) Average shift in HX2: 0.00019 Average ab-shift in HX2: 0.0086(Assignment used: 77) Input error: M-score > 0.5 # Summary for aro.peaks Total simulated peaks: 5 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: 0.0052 Average ab-shift in HX: 0.0052(Assignment used: 4) Average shift in X: -0.018 Average ab-shift in X: 0.053(Assignment used: 4) Average shift in HX2: 0.009 Average ab-shift in HX2: 0.009(Assignment used: 5) #For peaklist aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.152(5/33) Model 1 Inconsistent score: 0.152(5/33) Model 2 Inconsistent score: 0.212(7/33) Model 3 Inconsistent score: 0.242(8/33) Model 4 Inconsistent score: 0.242(8/33) Model 5 Inconsistent score: 0.121(4/33) Model 6 Inconsistent score: 0.212(7/33) Model 7 Inconsistent score: 0.212(7/33) Model 8 Inconsistent score: 0.182(6/33) Model 9 Inconsistent score: 0.212(7/33) Model 10 Inconsistent score: 0.212(7/33) Model 11 Inconsistent score: 0.242(8/33) Model 12 Inconsistent score: 0.212(7/33) Model 13 Inconsistent score: 0.242(8/33) Model 14 Inconsistent score: 0.152(5/33) Model 15 Inconsistent score: 0.182(6/33) Model 16 Inconsistent score: 0.242(8/33) Model 17 Inconsistent score: 0.152(5/33) Model 18 Inconsistent score: 0.152(5/33) Model 19 Inconsistent score: 0.182(6/33) Model 20 Inconsistent score: 0.212(7/33) Model ave Missing interactions: 0.571 (24/42) weighted: 0.13 (8.38e+03/6.43e+04) <3: 0 (0/2) <3w: 0 (0/1.84e+04) Model 1 Missing interactions: 0.537 (22/41) weighted: 0.134 (8.84e+03/6.58e+04) <3: 0 (0/2) <3w: 0 (0/1.86e+04) Model 2 Missing interactions: 0.634 (26/41) weighted: 0.148 (9.86e+03/6.65e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 3 Missing interactions: 0.667 (28/42) weighted: 0.164 (1.05e+04/6.39e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 4 Missing interactions: 0.634 (26/41) weighted: 0.142 (9e+03/6.32e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 5 Missing interactions: 0.538 (21/39) weighted: 0.118 (7.14e+03/6.03e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 6 Missing interactions: 0.619 (26/42) weighted: 0.133 (9.72e+03/7.31e+04) <3: 0 (0/2) <3w: 0 (0/1.86e+04) Model 7 Missing interactions: 0.615 (24/39) weighted: 0.123 (8.47e+03/6.89e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 8 Missing interactions: 0.559 (19/34) weighted: 0.128 (7.81e+03/6.1e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 9 Missing interactions: 0.625 (25/40) weighted: 0.152 (9.79e+03/6.44e+04) <3: 0 (0/2) <3w: 0 (0/1.86e+04) Model 10 Missing interactions: 0.625 (25/40) weighted: 0.167 (1.02e+04/6.07e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 11 Missing interactions: 0.659 (29/44) weighted: 0.158 (1.04e+04/6.56e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 12 Missing interactions: 0.605 (23/38) weighted: 0.135 (8.67e+03/6.45e+04) <3: 0 (0/2) <3w: 0 (0/1.86e+04) Model 13 Missing interactions: 0.641 (25/39) weighted: 0.128 (8.79e+03/6.89e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 14 Missing interactions: 0.5 (19/38) weighted: 0.131 (8.33e+03/6.38e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 15 Missing interactions: 0.524 (22/42) weighted: 0.124 (8.13e+03/6.55e+04) <3: 0 (0/2) <3w: 0 (0/1.86e+04) Model 16 Missing interactions: 0.611 (22/36) weighted: 0.15 (9.58e+03/6.37e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 17 Missing interactions: 0.548 (23/42) weighted: 0.117 (7.36e+03/6.27e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 18 Missing interactions: 0.605 (26/43) weighted: 0.147 (1.01e+04/6.86e+04) <3: 0 (0/2) <3w: 0 (0/1.86e+04) Model 19 Missing interactions: 0.61 (25/41) weighted: 0.168 (1.06e+04/6.28e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 20 Missing interactions: 0.61 (25/41) weighted: 0.125 (8.64e+03/6.91e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model ave Recall: 0.848 Precision: all: 0.429 allw: 0.87 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.569 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.848 Precision: all: 0.463 allw: 0.866 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.599 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.788 Precision: all: 0.366 allw: 0.852 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.5 F-measure:(Recall,PrecisionW) 0.819 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.758 Precision: all: 0.333 allw: 0.836 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.463 F-measure:(Recall,PrecisionW) 0.795 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.758 Precision: all: 0.366 allw: 0.858 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.493 F-measure:(Recall,PrecisionW) 0.804 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.879 Precision: all: 0.462 allw: 0.882 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.605 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.788 Precision: all: 0.381 allw: 0.867 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.514 F-measure:(Recall,PrecisionW) 0.826 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.788 Precision: all: 0.385 allw: 0.877 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.517 F-measure:(Recall,PrecisionW) 0.83 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.818 Precision: all: 0.441 allw: 0.872 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.573 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.788 Precision: all: 0.375 allw: 0.848 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.508 F-measure:(Recall,PrecisionW) 0.817 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.788 Precision: all: 0.375 allw: 0.833 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.508 F-measure:(Recall,PrecisionW) 0.81 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.758 Precision: all: 0.341 allw: 0.842 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.47 F-measure:(Recall,PrecisionW) 0.798 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.788 Precision: all: 0.395 allw: 0.865 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.526 F-measure:(Recall,PrecisionW) 0.825 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.758 Precision: all: 0.359 allw: 0.872 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.487 F-measure:(Recall,PrecisionW) 0.811 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.848 Precision: all: 0.5 allw: 0.869 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.818 Precision: all: 0.476 allw: 0.876 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.602 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.758 Precision: all: 0.389 allw: 0.85 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.514 F-measure:(Recall,PrecisionW) 0.801 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.848 Precision: all: 0.452 allw: 0.883 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.59 F-measure:(Recall,PrecisionW) 0.865 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.848 Precision: all: 0.395 allw: 0.853 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.539 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.818 Precision: all: 0.39 allw: 0.832 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.528 F-measure:(Recall,PrecisionW) 0.825 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.788 Precision: all: 0.39 allw: 0.875 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.522 F-measure:(Recall,PrecisionW) 0.829 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.697(23/33) Model ave Missing interactions: 0.538 (7/13) weighted: 0.212 (731/3.44e+03) <3: 0 (0/2) <3w: 0 (0/1.86e+03) Recall: 0.303 Precision: all: 0.462 allw: 0.788 F-measure:(RecallFree,PrecisionFree) 0.366 F-measure:(ReallFree,PrecisionFreeW) 0.438 Final M-score 0.0945 12/127 Model ave Final Recall-score for input query structures: 0.897 Final Precision-score for input query structures: 0.952 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.924 F-score of ideal true structures: 0.996 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.737 Model 1 Final Recall-score for input query structures: 0.909 Final Precision-score for input query structures: 0.946 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.992 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.927 F-score of ideal true structures: 0.996 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.748 Model 2 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.949 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.927 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.745 Model 3 Final Recall-score for input query structures: 0.901 Final Precision-score for input query structures: 0.949 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.993 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.925 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.738 Model 4 Final Recall-score for input query structures: 0.891 Final Precision-score for input query structures: 0.946 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.918 F-score of ideal true structures: 0.996 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.715 Model 5 Final Recall-score for input query structures: 0.898 Final Precision-score for input query structures: 0.945 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.993 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.921 F-score of ideal true structures: 0.996 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.726 Model 6 Final Recall-score for input query structures: 0.887 Final Precision-score for input query structures: 0.949 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.917 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.709 Model 7 Final Recall-score for input query structures: 0.905 Final Precision-score for input query structures: 0.949 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.993 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.926 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.742 Model 8 Final Recall-score for input query structures: 0.895 Final Precision-score for input query structures: 0.947 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.92 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.72 Model 9 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.946 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.926 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.742 Model 10 Final Recall-score for input query structures: 0.898 Final Precision-score for input query structures: 0.952 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.924 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.735 Model 11 Final Recall-score for input query structures: 0.893 Final Precision-score for input query structures: 0.952 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.993 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.922 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.727 Model 12 Final Recall-score for input query structures: 0.892 Final Precision-score for input query structures: 0.948 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.919 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.716 Model 13 Final Recall-score for input query structures: 0.892 Final Precision-score for input query structures: 0.948 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.919 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.716 Model 14 Final Recall-score for input query structures: 0.899 Final Precision-score for input query structures: 0.942 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.92 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.72 Model 15 Final Recall-score for input query structures: 0.888 Final Precision-score for input query structures: 0.949 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.917 F-score of ideal true structures: 0.996 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.712 Model 16 Final Recall-score for input query structures: 0.899 Final Precision-score for input query structures: 0.949 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.731 Model 17 Final Recall-score for input query structures: 0.886 Final Precision-score for input query structures: 0.955 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.919 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.722 Model 18 Final Recall-score for input query structures: 0.892 Final Precision-score for input query structures: 0.953 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.993 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.922 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.727 Model 19 Final Recall-score for input query structures: 0.888 Final Precision-score for input query structures: 0.945 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.916 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.705 Model 20 Final Recall-score for input query structures: 0.9 Final Precision-score for input query structures: 0.948 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.994 Final Recall-score for freely-rotating-chain model: 0.586 Final Precision-score for freely-rotating-chain model: 0.939 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.731 Statistics: =========== NOESY_Assign: User CPU Time: 16.4 sec. Syst CPU Time: 0.2 sec. Other Processes: User CPU Time: 0.37 sec. Syst CPU Time: 0.04 sec. Total Elapsed Time: 17.1 sec.