# created by ASDP Version 1.0 Copyright(C) 2010 # Thu May 9 22:38:16 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/CSR4_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q CSR4_R3Cons_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: 0.0792(68/859) Model 1 Inconsistent score: 0.0803(69/859) Model 2 Inconsistent score: 0.078(67/859) Model 3 Inconsistent score: 0.0838(72/859) Model 4 Inconsistent score: 0.0815(70/859) Model 5 Inconsistent score: 0.085(73/859) Model 6 Inconsistent score: 0.0803(69/859) Model 7 Inconsistent score: 0.078(67/859) Model 8 Inconsistent score: 0.0827(71/859) Model 9 Inconsistent score: 0.0757(65/859) Model 10 Inconsistent score: 0.0838(72/859) Model 11 Inconsistent score: 0.0873(75/859) Model 12 Inconsistent score: 0.0768(66/859) Model 13 Inconsistent score: 0.0838(72/859) Model 14 Inconsistent score: 0.0792(68/859) Model 15 Inconsistent score: 0.0803(69/859) Model 16 Inconsistent score: 0.0838(72/859) Model 17 Inconsistent score: 0.085(73/859) Model 18 Inconsistent score: 0.0803(69/859) Model 19 Inconsistent score: 0.0792(68/859) Model 20 Inconsistent score: 0.0803(69/859) Model ave Missing interactions: 0.246 (286/1163) weighted: 0.0471 (1.27e+05/2.7e+06) <3: 0.0169 (2/118) <3w: 0.00779 (5.49e+03/7.04e+05) Model 1 Missing interactions: 0.265 (319/1206) weighted: 0.0636 (1.9e+05/2.99e+06) <3: 0.0167 (2/120) <3w: 0.00589 (4.22e+03/7.16e+05) Model 2 Missing interactions: 0.257 (311/1211) weighted: 0.0683 (2.05e+05/3e+06) <3: 0.0167 (2/120) <3w: 0.00576 (3.98e+03/6.9e+05) Model 3 Missing interactions: 0.261 (310/1187) weighted: 0.0567 (1.67e+05/2.95e+06) <3: 0.0167 (2/120) <3w: 0.00632 (4.49e+03/7.11e+05) Model 4 Missing interactions: 0.255 (305/1196) weighted: 0.0582 (1.79e+05/3.09e+06) <3: 0.0168 (2/119) <3w: 0.00584 (4.17e+03/7.13e+05) Model 5 Missing interactions: 0.251 (297/1182) weighted: 0.0518 (1.54e+05/2.98e+06) <3: 0.0167 (2/120) <3w: 0.00558 (4.07e+03/7.29e+05) Model 6 Missing interactions: 0.259 (311/1199) weighted: 0.0613 (1.91e+05/3.11e+06) <3: 0.0167 (2/120) <3w: 0.00687 (4.78e+03/6.96e+05) Model 7 Missing interactions: 0.26 (309/1190) weighted: 0.0581 (1.7e+05/2.93e+06) <3: 0.0168 (2/119) <3w: 0.00612 (4.17e+03/6.81e+05) Model 8 Missing interactions: 0.259 (307/1184) weighted: 0.0687 (2.01e+05/2.92e+06) <3: 0.0168 (2/119) <3w: 0.00518 (3.69e+03/7.13e+05) Model 9 Missing interactions: 0.265 (319/1205) weighted: 0.0584 (1.71e+05/2.94e+06) <3: 0.0165 (2/121) <3w: 0.00956 (6.7e+03/7.01e+05) Model 10 Missing interactions: 0.244 (286/1171) weighted: 0.0577 (1.73e+05/2.99e+06) <3: 0.0167 (2/120) <3w: 0.0056 (3.89e+03/6.95e+05) Model 11 Missing interactions: 0.257 (305/1185) weighted: 0.0541 (1.6e+05/2.96e+06) <3: 0.0167 (2/120) <3w: 0.00918 (6.45e+03/7.02e+05) Model 12 Missing interactions: 0.257 (306/1190) weighted: 0.0559 (1.67e+05/2.98e+06) <3: 0.0167 (2/120) <3w: 0.00604 (4.31e+03/7.14e+05) Model 13 Missing interactions: 0.253 (297/1174) weighted: 0.0512 (1.53e+05/2.99e+06) <3: 0.0168 (2/119) <3w: 0.0126 (8.88e+03/7.03e+05) Model 14 Missing interactions: 0.261 (313/1198) weighted: 0.0635 (1.9e+05/3e+06) <3: 0.0167 (2/120) <3w: 0.00602 (4.22e+03/7.01e+05) Model 15 Missing interactions: 0.254 (297/1170) weighted: 0.0524 (1.55e+05/2.95e+06) <3: 0.0167 (2/120) <3w: 0.00926 (6.51e+03/7.04e+05) Model 16 Missing interactions: 0.262 (312/1191) weighted: 0.0606 (1.84e+05/3.04e+06) <3: 0.0167 (2/120) <3w: 0.00544 (3.89e+03/7.16e+05) Model 17 Missing interactions: 0.244 (287/1174) weighted: 0.0527 (1.56e+05/2.95e+06) <3: 0.0169 (2/118) <3w: 0.00558 (3.82e+03/6.84e+05) Model 18 Missing interactions: 0.269 (323/1201) weighted: 0.0612 (1.78e+05/2.91e+06) <3: 0.0165 (2/121) <3w: 0.0124 (8.88e+03/7.14e+05) Model 19 Missing interactions: 0.259 (309/1191) weighted: 0.0621 (1.89e+05/3.03e+06) <3: 0.0167 (2/120) <3w: 0.00591 (4.24e+03/7.18e+05) Model 20 Missing interactions: 0.254 (301/1186) weighted: 0.0535 (1.59e+05/2.97e+06) <3: 0.0168 (2/119) <3w: 0.0062 (4.24e+03/6.85e+05) Model ave Recall: 0.921 Precision: all: 0.754 allw: 0.953 <3: 0.983 <3w: 0.992 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.991 F-measure:(0,PrecisionIdealW) 0.996 Model 1 Recall: 0.92 Precision: all: 0.735 allw: 0.936 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 2 Recall: 0.922 Precision: all: 0.743 allw: 0.932 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 3 Recall: 0.916 Precision: all: 0.739 allw: 0.943 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.818 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 4 Recall: 0.919 Precision: all: 0.745 allw: 0.942 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 5 Recall: 0.915 Precision: all: 0.749 allw: 0.948 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.931 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 6 Recall: 0.92 Precision: all: 0.741 allw: 0.939 <3: 0.983 <3w: 0.993 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 7 Recall: 0.922 Precision: all: 0.74 allw: 0.942 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 8 Recall: 0.917 Precision: all: 0.741 allw: 0.931 <3: 0.983 <3w: 0.995 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 9 Recall: 0.924 Precision: all: 0.735 allw: 0.942 <3: 0.983 <3w: 0.99 F-measure:(Recall,Precision) 0.819 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.995 Model 10 Recall: 0.916 Precision: all: 0.756 allw: 0.942 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 11 Recall: 0.913 Precision: all: 0.743 allw: 0.946 <3: 0.983 <3w: 0.991 F-measure:(Recall,Precision) 0.819 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.995 Model 12 Recall: 0.923 Precision: all: 0.743 allw: 0.944 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 13 Recall: 0.916 Precision: all: 0.747 allw: 0.949 <3: 0.983 <3w: 0.987 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.994 Model 14 Recall: 0.921 Precision: all: 0.739 allw: 0.936 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 15 Recall: 0.92 Precision: all: 0.746 allw: 0.948 <3: 0.983 <3w: 0.991 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.995 Model 16 Recall: 0.916 Precision: all: 0.738 allw: 0.939 <3: 0.983 <3w: 0.995 F-measure:(Recall,Precision) 0.818 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 17 Recall: 0.915 Precision: all: 0.756 allw: 0.947 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.931 F-measure:(0,PrecisionIdeal) 0.991 F-measure:(0,PrecisionIdealW) 0.997 Model 18 Recall: 0.92 Precision: all: 0.731 allw: 0.939 <3: 0.983 <3w: 0.988 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.994 Model 19 Recall: 0.921 Precision: all: 0.741 allw: 0.938 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.997 Model 20 Recall: 0.92 Precision: all: 0.746 allw: 0.947 <3: 0.983 <3w: 0.994 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.933 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: 0.152(5/33) Model 3 Inconsistent score: 0.152(5/33) Model 4 Inconsistent score: 0.212(7/33) Model 5 Inconsistent score: 0.121(4/33) Model 6 Inconsistent score: 0.152(5/33) Model 7 Inconsistent score: 0.182(6/33) Model 8 Inconsistent score: 0.182(6/33) Model 9 Inconsistent score: 0.182(6/33) Model 10 Inconsistent score: 0.182(6/33) Model 11 Inconsistent score: 0.152(5/33) Model 12 Inconsistent score: 0.152(5/33) Model 13 Inconsistent score: 0.0909(3/33) Model 14 Inconsistent score: 0.121(4/33) Model 15 Inconsistent score: 0.121(4/33) Model 16 Inconsistent score: 0.152(5/33) Model 17 Inconsistent score: 0.182(6/33) Model 18 Inconsistent score: 0.121(4/33) Model 19 Inconsistent score: 0.182(6/33) Model 20 Inconsistent score: 0.0909(3/33) Model ave Missing interactions: 0.642 (34/53) weighted: 0.143 (1.1e+04/7.72e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 1 Missing interactions: 0.627 (32/51) weighted: 0.205 (1.68e+04/8.21e+04) <3: 0 (0/2) <3w: 0 (0/1.76e+04) Model 2 Missing interactions: 0.632 (36/57) weighted: 0.145 (1.33e+04/9.17e+04) <3: 0 (0/2) <3w: 0 (0/1.86e+04) Model 3 Missing interactions: 0.6 (27/45) weighted: 0.205 (1.55e+04/7.56e+04) <3: 0 (0/2) <3w: 0 (0/1.76e+04) Model 4 Missing interactions: 0.673 (35/52) weighted: 0.205 (1.83e+04/8.91e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 5 Missing interactions: 0.593 (32/54) weighted: 0.137 (1.43e+04/1.05e+05) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 6 Missing interactions: 0.636 (35/55) weighted: 0.159 (1.47e+04/9.23e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 7 Missing interactions: 0.569 (29/51) weighted: 0.19 (1.69e+04/8.9e+04) <3: 0 (0/2) <3w: 0 (0/1.76e+04) Model 8 Missing interactions: 0.648 (35/54) weighted: 0.24 (2.07e+04/8.59e+04) <3: 0 (0/2) <3w: 0 (0/1.76e+04) Model 9 Missing interactions: 0.655 (36/55) weighted: 0.197 (1.64e+04/8.33e+04) <3: 0 (0/2) <3w: 0 (0/1.76e+04) Model 10 Missing interactions: 0.617 (29/47) weighted: 0.169 (1.35e+04/7.99e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 11 Missing interactions: 0.593 (32/54) weighted: 0.224 (2.2e+04/9.83e+04) <3: 0 (0/2) <3w: 0 (0/1.76e+04) Model 12 Missing interactions: 0.62 (31/50) weighted: 0.138 (1.27e+04/9.15e+04) <3: 0 (0/2) <3w: 0 (0/1.86e+04) Model 13 Missing interactions: 0.621 (36/58) weighted: 0.121 (1.12e+04/9.28e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 14 Missing interactions: 0.677 (42/62) weighted: 0.268 (2.95e+04/1.1e+05) <3: 0 (0/2) <3w: 0 (0/1.76e+04) Model 15 Missing interactions: 0.683 (43/63) weighted: 0.436 (5.21e+04/1.19e+05) <3: 0 (0/2) <3w: 0 (0/1.86e+04) Model 16 Missing interactions: 0.607 (34/56) weighted: 0.15 (1.38e+04/9.17e+04) <3: 0 (0/2) <3w: 0 (0/1.81e+04) Model 17 Missing interactions: 0.588 (30/51) weighted: 0.146 (1.31e+04/9.01e+04) <3: 0 (0/2) <3w: 0 (0/1.86e+04) Model 18 Missing interactions: 0.645 (40/62) weighted: 0.146 (1.54e+04/1.05e+05) <3: 0 (0/2) <3w: 0 (0/1.76e+04) Model 19 Missing interactions: 0.661 (39/59) weighted: 0.472 (5.87e+04/1.24e+05) <3: 0 (0/2) <3w: 0 (0/1.76e+04) Model 20 Missing interactions: 0.633 (38/60) weighted: 0.145 (1.43e+04/9.87e+04) <3: 0 (0/2) <3w: 0 (0/1.76e+04) Model ave Recall: 0.848 Precision: all: 0.358 allw: 0.857 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.504 F-measure:(Recall,PrecisionW) 0.853 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.848 Precision: all: 0.373 allw: 0.795 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.518 F-measure:(Recall,PrecisionW) 0.821 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.848 Precision: all: 0.368 allw: 0.855 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.514 F-measure:(Recall,PrecisionW) 0.852 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.848 Precision: all: 0.4 allw: 0.795 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.544 F-measure:(Recall,PrecisionW) 0.821 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.788 Precision: all: 0.327 allw: 0.795 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.462 F-measure:(Recall,PrecisionW) 0.791 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.879 Precision: all: 0.407 allw: 0.863 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.557 F-measure:(Recall,PrecisionW) 0.871 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.848 Precision: all: 0.364 allw: 0.841 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.509 F-measure:(Recall,PrecisionW) 0.845 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.818 Precision: all: 0.431 allw: 0.81 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.565 F-measure:(Recall,PrecisionW) 0.814 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.818 Precision: all: 0.352 allw: 0.76 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.492 F-measure:(Recall,PrecisionW) 0.788 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.818 Precision: all: 0.345 allw: 0.803 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.486 F-measure:(Recall,PrecisionW) 0.811 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.818 Precision: all: 0.383 allw: 0.831 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.522 F-measure:(Recall,PrecisionW) 0.824 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.848 Precision: all: 0.407 allw: 0.776 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.55 F-measure:(Recall,PrecisionW) 0.811 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.848 Precision: all: 0.38 allw: 0.862 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.525 F-measure:(Recall,PrecisionW) 0.855 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.909 Precision: all: 0.379 allw: 0.879 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.535 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.879 Precision: all: 0.323 allw: 0.732 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.472 F-measure:(Recall,PrecisionW) 0.798 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.879 Precision: all: 0.317 allw: 0.564 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.466 F-measure:(Recall,PrecisionW) 0.687 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.848 Precision: all: 0.393 allw: 0.85 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.537 F-measure:(Recall,PrecisionW) 0.849 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.818 Precision: all: 0.412 allw: 0.854 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.548 F-measure:(Recall,PrecisionW) 0.836 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.879 Precision: all: 0.355 allw: 0.854 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.506 F-measure:(Recall,PrecisionW) 0.866 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.818 Precision: all: 0.339 allw: 0.528 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.479 F-measure:(Recall,PrecisionW) 0.642 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.909 Precision: all: 0.367 allw: 0.855 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.523 F-measure:(Recall,PrecisionW) 0.881 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: 0.918 Final Precision-score for input query structures: 0.95 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: 0.934 F-score of ideal true structures: 0.996 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.774 Model 1 Final Recall-score for input query structures: 0.917 Final Precision-score for input query structures: 0.933 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: 0.925 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.738 Model 2 Final Recall-score for input query structures: 0.919 Final Precision-score for input query structures: 0.929 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 3 Final Recall-score for input query structures: 0.914 Final Precision-score for input query structures: 0.94 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 4 Final Recall-score for input query structures: 0.914 Final Precision-score for input query structures: 0.938 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 5 Final Recall-score for input query structures: 0.914 Final Precision-score for input query structures: 0.945 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.995 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: 0.929 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.753 Model 6 Final Recall-score for input query structures: 0.917 Final Precision-score for input query structures: 0.936 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 7 Final Recall-score for input query structures: 0.918 Final Precision-score for input query structures: 0.938 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: 0.928 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.749 Model 8 Final Recall-score for input query structures: 0.914 Final Precision-score for input query structures: 0.926 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.995 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: 0.92 Final Precision-score for input query structures: 0.938 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: 0.929 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.758 Model 10 Final Recall-score for input query structures: 0.913 Final Precision-score for input query structures: 0.939 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.995 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 11 Final Recall-score for input query structures: 0.91 Final Precision-score for input query structures: 0.94 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: 0.925 F-score of ideal true structures: 0.996 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.741 Model 12 Final Recall-score for input query structures: 0.92 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: 0.931 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.76 Model 13 Final Recall-score for input query structures: 0.916 Final Precision-score for input query structures: 0.947 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.988 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: 0.931 F-score of ideal true structures: 0.994 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.768 Model 14 Final Recall-score for input query structures: 0.919 Final Precision-score for input query structures: 0.929 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 15 Final Recall-score for input query structures: 0.918 Final Precision-score for input query structures: 0.933 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: 0.925 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.744 Model 16 Final Recall-score for input query structures: 0.914 Final Precision-score for input query structures: 0.937 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.995 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 17 Final Recall-score for input query structures: 0.911 Final Precision-score for input query structures: 0.945 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.995 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: 0.928 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.749 Model 18 Final Recall-score for input query structures: 0.918 Final Precision-score for input query structures: 0.936 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.988 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: 0.994 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.754 Model 19 Final Recall-score for input query structures: 0.917 Final Precision-score for input query structures: 0.922 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 20 Final Recall-score for input query structures: 0.919 Final Precision-score for input query structures: 0.944 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: 0.931 F-score of ideal true structures: 0.997 F-score of freely-rotating-chain model: 0.722 DP-Score: 0.76 Statistics: =========== NOESY_Assign: User CPU Time: 16.4 sec. Syst CPU Time: 0.21 sec. Other Processes: User CPU Time: 0.37 sec. Syst CPU Time: 0.03 sec. Total Elapsed Time: 17.1 sec.