# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 08:14:23 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR4435B_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR4435B_R3Cons_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: 0.0348(27/776) Model 1 Inconsistent score: 0.0387(30/776) Model 2 Inconsistent score: 0.0335(26/776) Model 3 Inconsistent score: 0.0335(26/776) Model 4 Inconsistent score: 0.0361(28/776) Model 5 Inconsistent score: 0.0374(29/776) Model 6 Inconsistent score: 0.0322(25/776) Model 7 Inconsistent score: 0.0387(30/776) Model 8 Inconsistent score: 0.0425(33/776) Model 9 Inconsistent score: 0.0335(26/776) Model 10 Inconsistent score: 0.0322(25/776) Model 11 Inconsistent score: 0.0399(31/776) Model 12 Inconsistent score: 0.0464(36/776) Model 13 Inconsistent score: 0.0374(29/776) Model 14 Inconsistent score: 0.0399(31/776) Model 15 Inconsistent score: 0.0296(23/776) Model 16 Inconsistent score: 0.0425(33/776) Model 17 Inconsistent score: 0.0515(40/776) Model 18 Inconsistent score: 0.0387(30/776) Model 19 Inconsistent score: 0.0374(29/776) Model 20 Inconsistent score: 0.0374(29/776) Model ave Missing interactions: 0.305 (312/1023) weighted: 0.0583 (1.45e+05/2.49e+06) <3: 0.0342 (4/117) <3w: 0.00889 (7.52e+03/8.46e+05) Model 1 Missing interactions: 0.347 (395/1139) weighted: 0.0783 (2.5e+05/3.19e+06) <3: 0.0248 (3/121) <3w: 0.00878 (7.54e+03/8.59e+05) Model 2 Missing interactions: 0.347 (392/1131) weighted: 0.0664 (1.96e+05/2.96e+06) <3: 0.0164 (2/122) <3w: 0.008 (6.95e+03/8.69e+05) Model 3 Missing interactions: 0.363 (422/1164) weighted: 0.0901 (2.68e+05/2.98e+06) <3: 0.025 (3/120) <3w: 0.00908 (7.81e+03/8.61e+05) Model 4 Missing interactions: 0.342 (395/1154) weighted: 0.0676 (2.12e+05/3.14e+06) <3: 0.0242 (3/124) <3w: 0.0086 (7.44e+03/8.65e+05) Model 5 Missing interactions: 0.344 (391/1138) weighted: 0.0749 (2.25e+05/3e+06) <3: 0.0242 (3/124) <3w: 0.00893 (7.34e+03/8.22e+05) Model 6 Missing interactions: 0.347 (395/1137) weighted: 0.0805 (2.35e+05/2.92e+06) <3: 0.0252 (3/119) <3w: 0.00791 (6.6e+03/8.34e+05) Model 7 Missing interactions: 0.362 (418/1154) weighted: 0.0826 (2.55e+05/3.09e+06) <3: 0.0254 (3/118) <3w: 0.00904 (7.61e+03/8.42e+05) Model 8 Missing interactions: 0.361 (420/1162) weighted: 0.0806 (2.52e+05/3.12e+06) <3: 0.0164 (2/122) <3w: 0.00912 (7.97e+03/8.74e+05) Model 9 Missing interactions: 0.347 (389/1120) weighted: 0.0838 (2.64e+05/3.16e+06) <3: 0.0248 (3/121) <3w: 0.00855 (7.39e+03/8.65e+05) Model 10 Missing interactions: 0.362 (419/1159) weighted: 0.129 (4.11e+05/3.17e+06) <3: 0.0246 (3/122) <3w: 0.00957 (8.26e+03/8.63e+05) Model 11 Missing interactions: 0.366 (423/1155) weighted: 0.0954 (2.93e+05/3.07e+06) <3: 0.0246 (3/122) <3w: 0.00917 (7.56e+03/8.25e+05) Model 12 Missing interactions: 0.341 (376/1103) weighted: 0.0633 (1.92e+05/3.04e+06) <3: 0.0169 (2/118) <3w: 0.00918 (7.66e+03/8.34e+05) Model 13 Missing interactions: 0.343 (393/1146) weighted: 0.0921 (2.86e+05/3.1e+06) <3: 0.0164 (2/122) <3w: 0.00833 (7.31e+03/8.78e+05) Model 14 Missing interactions: 0.356 (402/1129) weighted: 0.0793 (2.43e+05/3.06e+06) <3: 0.0168 (2/119) <3w: 0.00882 (7.56e+03/8.57e+05) Model 15 Missing interactions: 0.371 (441/1188) weighted: 0.104 (3.09e+05/2.97e+06) <3: 0.0167 (2/120) <3w: 0.00879 (7.24e+03/8.23e+05) Model 16 Missing interactions: 0.353 (408/1156) weighted: 0.0868 (2.66e+05/3.06e+06) <3: 0.0246 (3/122) <3w: 0.00878 (7.59e+03/8.65e+05) Model 17 Missing interactions: 0.359 (413/1151) weighted: 0.0772 (2.43e+05/3.15e+06) <3: 0.0233 (3/129) <3w: 0.00812 (7.06e+03/8.69e+05) Model 18 Missing interactions: 0.346 (399/1152) weighted: 0.0804 (2.52e+05/3.13e+06) <3: 0.0168 (2/119) <3w: 0.00923 (7.75e+03/8.39e+05) Model 19 Missing interactions: 0.36 (416/1155) weighted: 0.082 (2.54e+05/3.09e+06) <3: 0.025 (3/120) <3w: 0.00887 (7.5e+03/8.45e+05) Model 20 Missing interactions: 0.351 (395/1126) weighted: 0.085 (2.59e+05/3.05e+06) <3: 0.0244 (3/123) <3w: 0.00856 (7.08e+03/8.27e+05) Model ave Recall: 0.965 Precision: all: 0.695 allw: 0.942 <3: 0.966 <3w: 0.991 F-measure:(Recall,Precision) 0.808 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.996 Model 1 Recall: 0.961 Precision: all: 0.653 allw: 0.922 <3: 0.975 <3w: 0.991 F-measure:(Recall,Precision) 0.778 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.996 Model 2 Recall: 0.966 Precision: all: 0.653 allw: 0.934 <3: 0.984 <3w: 0.992 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 3 Recall: 0.966 Precision: all: 0.637 allw: 0.91 <3: 0.975 <3w: 0.991 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.995 Model 4 Recall: 0.964 Precision: all: 0.658 allw: 0.932 <3: 0.976 <3w: 0.991 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.996 Model 5 Recall: 0.963 Precision: all: 0.656 allw: 0.925 <3: 0.976 <3w: 0.991 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.996 Model 6 Recall: 0.968 Precision: all: 0.653 allw: 0.92 <3: 0.975 <3w: 0.992 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.996 Model 7 Recall: 0.961 Precision: all: 0.638 allw: 0.917 <3: 0.975 <3w: 0.991 F-measure:(Recall,Precision) 0.767 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.995 Model 8 Recall: 0.957 Precision: all: 0.639 allw: 0.919 <3: 0.984 <3w: 0.991 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.995 Model 9 Recall: 0.966 Precision: all: 0.653 allw: 0.916 <3: 0.975 <3w: 0.991 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.996 Model 10 Recall: 0.968 Precision: all: 0.638 allw: 0.871 <3: 0.975 <3w: 0.99 F-measure:(Recall,Precision) 0.769 F-measure:(Recall,PrecisionW) 0.917 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.995 Model 11 Recall: 0.96 Precision: all: 0.634 allw: 0.905 <3: 0.975 <3w: 0.991 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.995 Model 12 Recall: 0.954 Precision: all: 0.659 allw: 0.937 <3: 0.983 <3w: 0.991 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.991 F-measure:(0,PrecisionIdealW) 0.995 Model 13 Recall: 0.963 Precision: all: 0.657 allw: 0.908 <3: 0.984 <3w: 0.992 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 14 Recall: 0.96 Precision: all: 0.644 allw: 0.921 <3: 0.983 <3w: 0.991 F-measure:(Recall,Precision) 0.771 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 15 Recall: 0.97 Precision: all: 0.629 allw: 0.896 <3: 0.983 <3w: 0.991 F-measure:(Recall,Precision) 0.763 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 16 Recall: 0.957 Precision: all: 0.647 allw: 0.913 <3: 0.975 <3w: 0.991 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.996 Model 17 Recall: 0.948 Precision: all: 0.641 allw: 0.923 <3: 0.977 <3w: 0.992 F-measure:(Recall,Precision) 0.765 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.996 Model 18 Recall: 0.961 Precision: all: 0.654 allw: 0.92 <3: 0.983 <3w: 0.991 F-measure:(Recall,Precision) 0.778 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.995 Model 19 Recall: 0.963 Precision: all: 0.64 allw: 0.918 <3: 0.975 <3w: 0.991 F-measure:(Recall,Precision) 0.769 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.996 Model 20 Recall: 0.963 Precision: all: 0.649 allw: 0.915 <3: 0.976 <3w: 0.991 F-measure:(Recall,Precision) 0.775 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.996 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: 0.103(13/126) Model 2 Inconsistent score: 0.0952(12/126) Model 3 Inconsistent score: 0.0794(10/126) Model 4 Inconsistent score: 0.111(14/126) Model 5 Inconsistent score: 0.103(13/126) Model 6 Inconsistent score: 0.127(16/126) Model 7 Inconsistent score: 0.111(14/126) Model 8 Inconsistent score: 0.0873(11/126) Model 9 Inconsistent score: 0.0952(12/126) Model 10 Inconsistent score: 0.111(14/126) Model 11 Inconsistent score: 0.127(16/126) Model 12 Inconsistent score: 0.127(16/126) Model 13 Inconsistent score: 0.151(19/126) Model 14 Inconsistent score: 0.127(16/126) Model 15 Inconsistent score: 0.0952(12/126) Model 16 Inconsistent score: 0.111(14/126) Model 17 Inconsistent score: 0.143(18/126) Model 18 Inconsistent score: 0.143(18/126) Model 19 Inconsistent score: 0.111(14/126) Model 20 Inconsistent score: 0.103(13/126) Model ave Missing interactions: 0.631 (186/295) weighted: 0.337 (9.07e+04/2.69e+05) <3: 0.227 (5/22) <3w: 0.152 (9.52e+03/6.28e+04) Model 1 Missing interactions: 0.673 (243/361) weighted: 0.397 (1.87e+05/4.71e+05) <3: 0.182 (4/22) <3w: 0.131 (9.46e+03/7.2e+04) Model 2 Missing interactions: 0.669 (241/360) weighted: 0.38 (1.78e+05/4.69e+05) <3: 0.136 (3/22) <3w: 0.148 (9.39e+03/6.35e+04) Model 3 Missing interactions: 0.671 (239/356) weighted: 0.333 (1.78e+05/5.34e+05) <3: 0.19 (4/21) <3w: 0.122 (9.47e+03/7.77e+04) Model 4 Missing interactions: 0.667 (238/357) weighted: 0.328 (1.79e+05/5.44e+05) <3: 0.182 (4/22) <3w: 0.157 (9.46e+03/6.01e+04) Model 5 Missing interactions: 0.683 (252/369) weighted: 0.392 (2.09e+05/5.34e+05) <3: 0.182 (4/22) <3w: 0.119 (9.46e+03/7.97e+04) Model 6 Missing interactions: 0.663 (224/338) weighted: 0.32 (1.38e+05/4.33e+05) <3: 0.19 (4/21) <3w: 0.151 (9.46e+03/6.27e+04) Model 7 Missing interactions: 0.681 (235/345) weighted: 0.366 (1.75e+05/4.78e+05) <3: 0.19 (4/21) <3w: 0.16 (9.45e+03/5.92e+04) Model 8 Missing interactions: 0.664 (229/345) weighted: 0.432 (2e+05/4.63e+05) <3: 0.143 (3/21) <3w: 0.158 (9.39e+03/5.95e+04) Model 9 Missing interactions: 0.654 (219/335) weighted: 0.391 (1.7e+05/4.36e+05) <3: 0.182 (4/22) <3w: 0.152 (9.46e+03/6.21e+04) Model 10 Missing interactions: 0.674 (248/368) weighted: 0.409 (1.93e+05/4.71e+05) <3: 0.182 (4/22) <3w: 0.12 (9.46e+03/7.87e+04) Model 11 Missing interactions: 0.675 (235/348) weighted: 0.378 (1.9e+05/5.03e+05) <3: 0.174 (4/23) <3w: 0.148 (9.47e+03/6.38e+04) Model 12 Missing interactions: 0.683 (231/338) weighted: 0.487 (2.34e+05/4.81e+05) <3: 0.15 (3/20) <3w: 0.142 (9.39e+03/6.6e+04) Model 13 Missing interactions: 0.679 (220/324) weighted: 0.401 (1.8e+05/4.48e+05) <3: 0.15 (3/20) <3w: 0.145 (9.39e+03/6.46e+04) Model 14 Missing interactions: 0.676 (227/336) weighted: 0.318 (1.49e+05/4.69e+05) <3: 0.15 (3/20) <3w: 0.146 (9.39e+03/6.44e+04) Model 15 Missing interactions: 0.655 (230/351) weighted: 0.315 (1.67e+05/5.3e+05) <3: 0.158 (3/19) <3w: 0.155 (9.39e+03/6.04e+04) Model 16 Missing interactions: 0.66 (235/356) weighted: 0.37 (1.82e+05/4.91e+05) <3: 0.182 (4/22) <3w: 0.147 (9.46e+03/6.44e+04) Model 17 Missing interactions: 0.676 (223/330) weighted: 0.441 (2.22e+05/5.03e+05) <3: 0.182 (4/22) <3w: 0.107 (9.46e+03/8.82e+04) Model 18 Missing interactions: 0.678 (223/329) weighted: 0.403 (1.91e+05/4.73e+05) <3: 0.15 (3/20) <3w: 0.138 (9.39e+03/6.82e+04) Model 19 Missing interactions: 0.686 (260/379) weighted: 0.356 (1.9e+05/5.33e+05) <3: 0.19 (4/21) <3w: 0.123 (9.47e+03/7.69e+04) Model 20 Missing interactions: 0.656 (221/337) weighted: 0.383 (1.57e+05/4.11e+05) <3: 0.182 (4/22) <3w: 0.159 (9.45e+03/5.95e+04) Model ave Recall: 0.881 Precision: all: 0.369 allw: 0.663 <3: 0.773 <3w: 0.848 F-measure:(Recall,Precision) 0.521 F-measure:(Recall,PrecisionW) 0.757 F-measure:(0,PrecisionIdeal) 0.872 F-measure:(0,PrecisionIdealW) 0.918 Model 1 Recall: 0.897 Precision: all: 0.327 allw: 0.603 <3: 0.818 <3w: 0.869 F-measure:(Recall,Precision) 0.479 F-measure:(Recall,PrecisionW) 0.721 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.93 Model 2 Recall: 0.905 Precision: all: 0.331 allw: 0.62 <3: 0.864 <3w: 0.852 F-measure:(Recall,Precision) 0.484 F-measure:(Recall,PrecisionW) 0.736 F-measure:(0,PrecisionIdeal) 0.927 F-measure:(0,PrecisionIdealW) 0.92 Model 3 Recall: 0.921 Precision: all: 0.329 allw: 0.667 <3: 0.81 <3w: 0.878 F-measure:(Recall,Precision) 0.484 F-measure:(Recall,PrecisionW) 0.774 F-measure:(0,PrecisionIdeal) 0.895 F-measure:(0,PrecisionIdealW) 0.935 Model 4 Recall: 0.889 Precision: all: 0.333 allw: 0.672 <3: 0.818 <3w: 0.843 F-measure:(Recall,Precision) 0.485 F-measure:(Recall,PrecisionW) 0.765 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.915 Model 5 Recall: 0.897 Precision: all: 0.317 allw: 0.608 <3: 0.818 <3w: 0.881 F-measure:(Recall,Precision) 0.469 F-measure:(Recall,PrecisionW) 0.725 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.937 Model 6 Recall: 0.873 Precision: all: 0.337 allw: 0.68 <3: 0.81 <3w: 0.849 F-measure:(Recall,Precision) 0.487 F-measure:(Recall,PrecisionW) 0.765 F-measure:(0,PrecisionIdeal) 0.895 F-measure:(0,PrecisionIdealW) 0.918 Model 7 Recall: 0.889 Precision: all: 0.319 allw: 0.634 <3: 0.81 <3w: 0.84 F-measure:(Recall,Precision) 0.469 F-measure:(Recall,PrecisionW) 0.74 F-measure:(0,PrecisionIdeal) 0.895 F-measure:(0,PrecisionIdealW) 0.913 Model 8 Recall: 0.913 Precision: all: 0.336 allw: 0.568 <3: 0.857 <3w: 0.842 F-measure:(Recall,Precision) 0.491 F-measure:(Recall,PrecisionW) 0.7 F-measure:(0,PrecisionIdeal) 0.923 F-measure:(0,PrecisionIdealW) 0.914 Model 9 Recall: 0.905 Precision: all: 0.346 allw: 0.609 <3: 0.818 <3w: 0.848 F-measure:(Recall,Precision) 0.501 F-measure:(Recall,PrecisionW) 0.728 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.917 Model 10 Recall: 0.889 Precision: all: 0.326 allw: 0.591 <3: 0.818 <3w: 0.88 F-measure:(Recall,Precision) 0.477 F-measure:(Recall,PrecisionW) 0.71 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.936 Model 11 Recall: 0.873 Precision: all: 0.325 allw: 0.622 <3: 0.826 <3w: 0.852 F-measure:(Recall,Precision) 0.473 F-measure:(Recall,PrecisionW) 0.726 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.92 Model 12 Recall: 0.873 Precision: all: 0.317 allw: 0.513 <3: 0.85 <3w: 0.858 F-measure:(Recall,Precision) 0.465 F-measure:(Recall,PrecisionW) 0.647 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.923 Model 13 Recall: 0.849 Precision: all: 0.321 allw: 0.599 <3: 0.85 <3w: 0.855 F-measure:(Recall,Precision) 0.466 F-measure:(Recall,PrecisionW) 0.702 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.922 Model 14 Recall: 0.873 Precision: all: 0.324 allw: 0.682 <3: 0.85 <3w: 0.854 F-measure:(Recall,Precision) 0.473 F-measure:(Recall,PrecisionW) 0.766 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.921 Model 15 Recall: 0.905 Precision: all: 0.345 allw: 0.685 <3: 0.842 <3w: 0.845 F-measure:(Recall,Precision) 0.499 F-measure:(Recall,PrecisionW) 0.78 F-measure:(0,PrecisionIdeal) 0.914 F-measure:(0,PrecisionIdealW) 0.916 Model 16 Recall: 0.889 Precision: all: 0.34 allw: 0.63 <3: 0.818 <3w: 0.853 F-measure:(Recall,Precision) 0.492 F-measure:(Recall,PrecisionW) 0.737 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.921 Model 17 Recall: 0.857 Precision: all: 0.324 allw: 0.559 <3: 0.818 <3w: 0.893 F-measure:(Recall,Precision) 0.471 F-measure:(Recall,PrecisionW) 0.676 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.943 Model 18 Recall: 0.857 Precision: all: 0.322 allw: 0.597 <3: 0.85 <3w: 0.862 F-measure:(Recall,Precision) 0.468 F-measure:(Recall,PrecisionW) 0.704 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.926 Model 19 Recall: 0.889 Precision: all: 0.314 allw: 0.644 <3: 0.81 <3w: 0.877 F-measure:(Recall,Precision) 0.464 F-measure:(Recall,PrecisionW) 0.747 F-measure:(0,PrecisionIdeal) 0.895 F-measure:(0,PrecisionIdealW) 0.934 Model 20 Recall: 0.897 Precision: all: 0.344 allw: 0.617 <3: 0.818 <3w: 0.841 F-measure:(Recall,Precision) 0.497 F-measure:(Recall,PrecisionW) 0.731 F-measure:(0,PrecisionIdeal) 0.9 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: 0.0616(114/1850) Model 1 Inconsistent score: 0.0616(114/1850) Model 2 Inconsistent score: 0.0611(113/1850) Model 3 Inconsistent score: 0.0622(115/1850) Model 4 Inconsistent score: 0.0568(105/1850) Model 5 Inconsistent score: 0.0541(100/1850) Model 6 Inconsistent score: 0.0686(127/1850) Model 7 Inconsistent score: 0.0573(106/1850) Model 8 Inconsistent score: 0.0605(112/1850) Model 9 Inconsistent score: 0.0611(113/1850) Model 10 Inconsistent score: 0.0595(110/1850) Model 11 Inconsistent score: 0.0562(104/1850) Model 12 Inconsistent score: 0.0768(142/1850) Model 13 Inconsistent score: 0.0665(123/1850) Model 14 Inconsistent score: 0.0643(119/1850) Model 15 Inconsistent score: 0.0654(121/1850) Model 16 Inconsistent score: 0.0595(110/1850) Model 17 Inconsistent score: 0.0573(106/1850) Model 18 Inconsistent score: 0.0611(113/1850) Model 19 Inconsistent score: 0.0595(110/1850) Model 20 Inconsistent score: 0.0573(106/1850) Model ave Missing interactions: 0.448 (1.24e+03/2776) weighted: 0.0867 (5.87e+05/6.77e+06) <3: 0.0504 (19/377) <3w: 0.029 (1.15e+05/3.95e+06) Model 1 Missing interactions: 0.497 (1.59e+03/3206) weighted: 0.143 (1.29e+06/9.08e+06) <3: 0.0501 (19/379) <3w: 0.0304 (1.22e+05/4.02e+06) Model 2 Missing interactions: 0.496 (1.59e+03/3211) weighted: 0.124 (1.09e+06/8.83e+06) <3: 0.0497 (19/382) <3w: 0.0296 (1.19e+05/4e+06) Model 3 Missing interactions: 0.49 (1.59e+03/3242) weighted: 0.156 (1.41e+06/9.03e+06) <3: 0.0499 (19/381) <3w: 0.0303 (1.22e+05/4.02e+06) Model 4 Missing interactions: 0.492 (1.61e+03/3269) weighted: 0.13 (1.18e+06/9.09e+06) <3: 0.0497 (19/382) <3w: 0.0274 (1.09e+05/3.99e+06) Model 5 Missing interactions: 0.494 (1.6e+03/3245) weighted: 0.145 (1.3e+06/8.99e+06) <3: 0.0495 (19/384) <3w: 0.0299 (1.19e+05/3.98e+06) Model 6 Missing interactions: 0.501 (1.63e+03/3247) weighted: 0.165 (1.48e+06/9.01e+06) <3: 0.05 (19/380) <3w: 0.0303 (1.21e+05/4e+06) Model 7 Missing interactions: 0.5 (1.64e+03/3287) weighted: 0.153 (1.4e+06/9.2e+06) <3: 0.0501 (19/379) <3w: 0.03 (1.21e+05/4.03e+06) Model 8 Missing interactions: 0.514 (1.75e+03/3395) weighted: 0.164 (1.52e+06/9.29e+06) <3: 0.0496 (19/383) <3w: 0.0298 (1.19e+05/3.98e+06) Model 9 Missing interactions: 0.49 (1.56e+03/3173) weighted: 0.145 (1.29e+06/8.87e+06) <3: 0.0499 (19/381) <3w: 0.0288 (1.15e+05/3.98e+06) Model 10 Missing interactions: 0.503 (1.66e+03/3297) weighted: 0.16 (1.48e+06/9.26e+06) <3: 0.05 (19/380) <3w: 0.0302 (1.22e+05/4.04e+06) Model 11 Missing interactions: 0.503 (1.65e+03/3287) weighted: 0.144 (1.31e+06/9.04e+06) <3: 0.0499 (19/381) <3w: 0.0292 (1.15e+05/3.93e+06) Model 12 Missing interactions: 0.491 (1.51e+03/3073) weighted: 0.146 (1.31e+06/8.95e+06) <3: 0.0503 (19/378) <3w: 0.0295 (1.16e+05/3.95e+06) Model 13 Missing interactions: 0.499 (1.62e+03/3248) weighted: 0.149 (1.36e+06/9.11e+06) <3: 0.0495 (19/384) <3w: 0.0298 (1.22e+05/4.09e+06) Model 14 Missing interactions: 0.494 (1.57e+03/3181) weighted: 0.138 (1.24e+06/8.97e+06) <3: 0.0501 (19/379) <3w: 0.0305 (1.23e+05/4.02e+06) Model 15 Missing interactions: 0.499 (1.64e+03/3289) weighted: 0.15 (1.36e+06/9.06e+06) <3: 0.0499 (19/381) <3w: 0.0306 (1.22e+05/3.97e+06) Model 16 Missing interactions: 0.5 (1.65e+03/3304) weighted: 0.161 (1.5e+06/9.31e+06) <3: 0.0497 (19/382) <3w: 0.0281 (1.13e+05/4.03e+06) Model 17 Missing interactions: 0.507 (1.7e+03/3347) weighted: 0.159 (1.49e+06/9.34e+06) <3: 0.0491 (19/387) <3w: 0.0286 (1.16e+05/4.07e+06) Model 18 Missing interactions: 0.507 (1.67e+03/3295) weighted: 0.156 (1.42e+06/9.1e+06) <3: 0.0499 (19/381) <3w: 0.0306 (1.21e+05/3.96e+06) Model 19 Missing interactions: 0.496 (1.61e+03/3238) weighted: 0.139 (1.26e+06/9.07e+06) <3: 0.0499 (19/381) <3w: 0.0303 (1.22e+05/4.03e+06) Model 20 Missing interactions: 0.492 (1.6e+03/3245) weighted: 0.143 (1.26e+06/8.81e+06) <3: 0.0496 (19/383) <3w: 0.029 (1.15e+05/3.97e+06) Model ave Recall: 0.938 Precision: all: 0.552 allw: 0.913 <3: 0.95 <3w: 0.971 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 1 Recall: 0.938 Precision: all: 0.503 allw: 0.857 <3: 0.95 <3w: 0.97 F-measure:(Recall,Precision) 0.655 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 2 Recall: 0.939 Precision: all: 0.504 allw: 0.876 <3: 0.95 <3w: 0.97 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.906 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 3 Recall: 0.938 Precision: all: 0.51 allw: 0.844 <3: 0.95 <3w: 0.97 F-measure:(Recall,Precision) 0.66 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 4 Recall: 0.943 Precision: all: 0.508 allw: 0.87 <3: 0.95 <3w: 0.973 F-measure:(Recall,Precision) 0.66 F-measure:(Recall,PrecisionW) 0.905 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 5 Recall: 0.946 Precision: all: 0.506 allw: 0.855 <3: 0.951 <3w: 0.97 F-measure:(Recall,Precision) 0.659 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 6 Recall: 0.931 Precision: all: 0.499 allw: 0.835 <3: 0.95 <3w: 0.97 F-measure:(Recall,Precision) 0.65 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 7 Recall: 0.943 Precision: all: 0.5 allw: 0.847 <3: 0.95 <3w: 0.97 F-measure:(Recall,Precision) 0.654 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 8 Recall: 0.939 Precision: all: 0.486 allw: 0.836 <3: 0.95 <3w: 0.97 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 9 Recall: 0.939 Precision: all: 0.51 allw: 0.855 <3: 0.95 <3w: 0.971 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 10 Recall: 0.941 Precision: all: 0.497 allw: 0.84 <3: 0.95 <3w: 0.97 F-measure:(Recall,Precision) 0.65 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 11 Recall: 0.944 Precision: all: 0.497 allw: 0.856 <3: 0.95 <3w: 0.971 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 12 Recall: 0.923 Precision: all: 0.509 allw: 0.854 <3: 0.95 <3w: 0.971 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 13 Recall: 0.934 Precision: all: 0.501 allw: 0.851 <3: 0.951 <3w: 0.97 F-measure:(Recall,Precision) 0.652 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 14 Recall: 0.936 Precision: all: 0.506 allw: 0.862 <3: 0.95 <3w: 0.969 F-measure:(Recall,Precision) 0.657 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.984 Model 15 Recall: 0.935 Precision: all: 0.501 allw: 0.85 <3: 0.95 <3w: 0.969 F-measure:(Recall,Precision) 0.652 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.984 Model 16 Recall: 0.941 Precision: all: 0.5 allw: 0.839 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.653 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 17 Recall: 0.943 Precision: all: 0.493 allw: 0.841 <3: 0.951 <3w: 0.971 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.986 Model 18 Recall: 0.939 Precision: all: 0.493 allw: 0.844 <3: 0.95 <3w: 0.969 F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.984 Model 19 Recall: 0.941 Precision: all: 0.504 allw: 0.861 <3: 0.95 <3w: 0.97 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 20 Recall: 0.943 Precision: all: 0.508 allw: 0.857 <3: 0.95 <3w: 0.971 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 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: 0.943 Final Precision-score for input query structures: 0.914 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: 0.928 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.773 Model 1 Final Recall-score for input query structures: 0.943 Final Precision-score for input query structures: 0.864 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.671 Model 2 Final Recall-score for input query structures: 0.945 Final Precision-score for input query structures: 0.88 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: 0.912 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.71 Model 3 Final Recall-score for input query structures: 0.945 Final Precision-score for input query structures: 0.852 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.896 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.647 Model 4 Final Recall-score for input query structures: 0.947 Final Precision-score for input query structures: 0.877 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: 0.911 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.703 Model 5 Final Recall-score for input query structures: 0.948 Final Precision-score for input query structures: 0.861 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.903 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.675 Model 6 Final Recall-score for input query structures: 0.939 Final Precision-score for input query structures: 0.85 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.631 Model 7 Final Recall-score for input query structures: 0.945 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.659 Model 8 Final Recall-score for input query structures: 0.943 Final Precision-score for input query structures: 0.847 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.631 Model 9 Final Recall-score for input query structures: 0.945 Final Precision-score for input query structures: 0.862 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.973 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: 0.902 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.671 Model 10 Final Recall-score for input query structures: 0.946 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.889 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.62 Model 11 Final Recall-score for input query structures: 0.945 Final Precision-score for input query structures: 0.858 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: 0.9 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.663 Model 12 Final Recall-score for input query structures: 0.93 Final Precision-score for input query structures: 0.861 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.639 Model 13 Final Recall-score for input query structures: 0.938 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: 0.895 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.643 Model 14 Final Recall-score for input query structures: 0.94 Final Precision-score for input query structures: 0.87 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.903 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.675 Model 15 Final Recall-score for input query structures: 0.943 Final Precision-score for input query structures: 0.854 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.651 Model 16 Final Recall-score for input query structures: 0.943 Final Precision-score for input query structures: 0.849 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: 0.893 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.633 Model 17 Final Recall-score for input query structures: 0.94 Final Precision-score for input query structures: 0.85 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: 0.893 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.633 Model 18 Final Recall-score for input query structures: 0.941 Final Precision-score for input query structures: 0.853 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.895 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.643 Model 19 Final Recall-score for input query structures: 0.944 Final Precision-score for input query structures: 0.865 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.972 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: 0.903 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.675 Model 20 Final Recall-score for input query structures: 0.946 Final Precision-score for input query structures: 0.863 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.973 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: 0.903 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.675 Statistics: =========== NOESY_Assign: User CPU Time: 23.4 sec. Syst CPU Time: 0.41 sec. Other Processes: User CPU Time: 0.33 sec. Syst CPU Time: 0.03 sec. Total Elapsed Time: 24.2 sec.