# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 08:00:53 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR4435B_R3_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR4435B_R3_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: 0.0606(47/776) Model 1 Inconsistent score: 0.0412(32/776) Model 2 Inconsistent score: 0.0335(26/776) Model 3 Inconsistent score: 0.0335(26/776) Model 4 Inconsistent score: 0.0528(41/776) Model 5 Inconsistent score: 0.0477(37/776) Model 6 Inconsistent score: 0.0348(27/776) Model 7 Inconsistent score: 0.0412(32/776) Model 8 Inconsistent score: 0.0438(34/776) Model 9 Inconsistent score: 0.049(38/776) Model 10 Inconsistent score: 0.0335(26/776) Model 11 Inconsistent score: 0.0451(35/776) Model 12 Inconsistent score: 0.0567(44/776) Model 13 Inconsistent score: 0.0399(31/776) Model 14 Inconsistent score: 0.0361(28/776) Model 15 Inconsistent score: 0.0451(35/776) Model 16 Inconsistent score: 0.0425(33/776) Model 17 Inconsistent score: 0.0322(25/776) Model 18 Inconsistent score: 0.0451(35/776) Model 19 Inconsistent score: 0.0503(39/776) Model 20 Inconsistent score: 0.0503(39/776) Model ave Missing interactions: 0.295 (289/980) weighted: 0.0622 (1.51e+05/2.43e+06) <3: 0.0342 (4/117) <3w: 0.00897 (7.56e+03/8.42e+05) Model 1 Missing interactions: 0.372 (437/1175) weighted: 0.0987 (3.12e+05/3.16e+06) <3: 0.0163 (2/123) <3w: 0.00894 (7.63e+03/8.53e+05) Model 2 Missing interactions: 0.362 (418/1155) weighted: 0.0907 (2.83e+05/3.12e+06) <3: 0.0167 (2/120) <3w: 0.00834 (6.88e+03/8.25e+05) Model 3 Missing interactions: 0.364 (436/1198) weighted: 0.0886 (2.8e+05/3.16e+06) <3: 0.0252 (3/119) <3w: 0.00897 (7.59e+03/8.46e+05) Model 4 Missing interactions: 0.35 (399/1141) weighted: 0.099 (3.01e+05/3.04e+06) <3: 0.0169 (2/118) <3w: 0.00769 (6.66e+03/8.66e+05) Model 5 Missing interactions: 0.351 (397/1132) weighted: 0.0742 (2.21e+05/2.97e+06) <3: 0.0242 (3/124) <3w: 0.00795 (6.73e+03/8.47e+05) Model 6 Missing interactions: 0.344 (392/1141) weighted: 0.088 (2.69e+05/3.06e+06) <3: 0.0164 (2/122) <3w: 0.00765 (6.63e+03/8.66e+05) Model 7 Missing interactions: 0.348 (402/1155) weighted: 0.0801 (2.5e+05/3.12e+06) <3: 0.0167 (2/120) <3w: 0.00743 (6.47e+03/8.7e+05) Model 8 Missing interactions: 0.354 (409/1154) weighted: 0.0867 (2.71e+05/3.13e+06) <3: 0.016 (2/125) <3w: 0.00882 (7.86e+03/8.91e+05) Model 9 Missing interactions: 0.369 (433/1174) weighted: 0.0876 (2.63e+05/3e+06) <3: 0.0236 (3/127) <3w: 0.00829 (7.23e+03/8.71e+05) Model 10 Missing interactions: 0.366 (438/1197) weighted: 0.11 (3.31e+05/3.02e+06) <3: 0.0323 (4/124) <3w: 0.00869 (7.15e+03/8.22e+05) Model 11 Missing interactions: 0.369 (428/1160) weighted: 0.11 (3.34e+05/3.05e+06) <3: 0.0236 (3/127) <3w: 0.00966 (8.33e+03/8.63e+05) Model 12 Missing interactions: 0.343 (383/1115) weighted: 0.0684 (2.1e+05/3.07e+06) <3: 0.0163 (2/123) <3w: 0.00904 (7.57e+03/8.37e+05) Model 13 Missing interactions: 0.347 (384/1106) weighted: 0.0804 (2.52e+05/3.14e+06) <3: 0.0167 (2/120) <3w: 0.00772 (6.8e+03/8.8e+05) Model 14 Missing interactions: 0.367 (429/1168) weighted: 0.0897 (2.75e+05/3.07e+06) <3: 0.0231 (3/130) <3w: 0.00891 (7.34e+03/8.24e+05) Model 15 Missing interactions: 0.349 (395/1132) weighted: 0.0683 (2.07e+05/3.03e+06) <3: 0.024 (3/125) <3w: 0.00855 (7.5e+03/8.77e+05) Model 16 Missing interactions: 0.359 (414/1154) weighted: 0.0825 (2.59e+05/3.14e+06) <3: 0.024 (3/125) <3w: 0.00894 (7.8e+03/8.72e+05) Model 17 Missing interactions: 0.345 (399/1158) weighted: 0.0867 (2.63e+05/3.04e+06) <3: 0.024 (3/125) <3w: 0.00935 (7.98e+03/8.54e+05) Model 18 Missing interactions: 0.353 (405/1147) weighted: 0.0829 (2.59e+05/3.12e+06) <3: 0.0165 (2/121) <3w: 0.00884 (7.47e+03/8.45e+05) Model 19 Missing interactions: 0.366 (420/1148) weighted: 0.106 (3.29e+05/3.1e+06) <3: 0.0159 (2/126) <3w: 0.0085 (7.1e+03/8.35e+05) Model 20 Missing interactions: 0.373 (431/1157) weighted: 0.0821 (2.48e+05/3.02e+06) <3: 0.0234 (3/128) <3w: 0.00887 (7.69e+03/8.67e+05) Model ave Recall: 0.939 Precision: all: 0.705 allw: 0.938 <3: 0.966 <3w: 0.991 F-measure:(Recall,Precision) 0.806 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 Model 1 Recall: 0.959 Precision: all: 0.628 allw: 0.901 <3: 0.984 <3w: 0.991 F-measure:(Recall,Precision) 0.759 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 2 Recall: 0.966 Precision: all: 0.638 allw: 0.909 <3: 0.983 <3w: 0.992 F-measure:(Recall,Precision) 0.769 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 3 Recall: 0.966 Precision: all: 0.636 allw: 0.911 <3: 0.975 <3w: 0.991 F-measure:(Recall,Precision) 0.767 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.995 Model 4 Recall: 0.947 Precision: all: 0.65 allw: 0.901 <3: 0.983 <3w: 0.992 F-measure:(Recall,Precision) 0.771 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.991 F-measure:(0,PrecisionIdealW) 0.996 Model 5 Recall: 0.952 Precision: all: 0.649 allw: 0.926 <3: 0.976 <3w: 0.992 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.996 Model 6 Recall: 0.965 Precision: all: 0.656 allw: 0.912 <3: 0.984 <3w: 0.992 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 7 Recall: 0.959 Precision: all: 0.652 allw: 0.92 <3: 0.983 <3w: 0.993 F-measure:(Recall,Precision) 0.776 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 8 Recall: 0.956 Precision: all: 0.646 allw: 0.913 <3: 0.984 <3w: 0.991 F-measure:(Recall,Precision) 0.771 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 9 Recall: 0.951 Precision: all: 0.631 allw: 0.912 <3: 0.976 <3w: 0.992 F-measure:(Recall,Precision) 0.759 F-measure:(Recall,PrecisionW) 0.931 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.996 Model 10 Recall: 0.966 Precision: all: 0.634 allw: 0.89 <3: 0.968 <3w: 0.991 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.996 Model 11 Recall: 0.955 Precision: all: 0.631 allw: 0.89 <3: 0.976 <3w: 0.99 F-measure:(Recall,Precision) 0.76 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.995 Model 12 Recall: 0.943 Precision: all: 0.657 allw: 0.932 <3: 0.984 <3w: 0.991 F-measure:(Recall,Precision) 0.774 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.995 Model 13 Recall: 0.96 Precision: all: 0.653 allw: 0.92 <3: 0.983 <3w: 0.992 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 14 Recall: 0.964 Precision: all: 0.633 allw: 0.91 <3: 0.977 <3w: 0.991 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.996 Model 15 Recall: 0.955 Precision: all: 0.651 allw: 0.932 <3: 0.976 <3w: 0.991 F-measure:(Recall,Precision) 0.774 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.996 Model 16 Recall: 0.957 Precision: all: 0.641 allw: 0.918 <3: 0.976 <3w: 0.991 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.996 Model 17 Recall: 0.968 Precision: all: 0.655 allw: 0.913 <3: 0.976 <3w: 0.991 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.995 Model 18 Recall: 0.955 Precision: all: 0.647 allw: 0.917 <3: 0.983 <3w: 0.991 F-measure:(Recall,Precision) 0.771 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 19 Recall: 0.95 Precision: all: 0.634 allw: 0.894 <3: 0.984 <3w: 0.992 F-measure:(Recall,Precision) 0.761 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.992 F-measure:(0,PrecisionIdealW) 0.996 Model 20 Recall: 0.95 Precision: all: 0.627 allw: 0.918 <3: 0.977 <3w: 0.991 F-measure:(Recall,Precision) 0.756 F-measure:(Recall,PrecisionW) 0.934 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: 0.294(37/126) Model 1 Inconsistent score: 0.111(14/126) Model 2 Inconsistent score: 0.103(13/126) Model 3 Inconsistent score: 0.111(14/126) Model 4 Inconsistent score: 0.0952(12/126) Model 5 Inconsistent score: 0.151(19/126) Model 6 Inconsistent score: 0.103(13/126) Model 7 Inconsistent score: 0.0873(11/126) Model 8 Inconsistent score: 0.103(13/126) Model 9 Inconsistent score: 0.183(23/126) Model 10 Inconsistent score: 0.0952(12/126) Model 11 Inconsistent score: 0.23(29/126) Model 12 Inconsistent score: 0.0952(12/126) Model 13 Inconsistent score: 0.0952(12/126) Model 14 Inconsistent score: 0.103(13/126) Model 15 Inconsistent score: 0.143(18/126) Model 16 Inconsistent score: 0.222(28/126) Model 17 Inconsistent score: 0.0873(11/126) Model 18 Inconsistent score: 0.103(13/126) Model 19 Inconsistent score: 0.183(23/126) Model 20 Inconsistent score: 0.198(25/126) Model ave Missing interactions: 0.648 (138/213) weighted: 0.269 (4.9e+04/1.82e+05) <3: 0.238 (5/21) <3w: 0.163 (9.52e+03/5.85e+04) Model 1 Missing interactions: 0.667 (230/345) weighted: 0.378 (1.86e+05/4.91e+05) <3: 0.15 (3/20) <3w: 0.14 (9.39e+03/6.69e+04) Model 2 Missing interactions: 0.659 (226/343) weighted: 0.358 (1.66e+05/4.62e+05) <3: 0.143 (3/21) <3w: 0.106 (9.39e+03/8.87e+04) Model 3 Missing interactions: 0.68 (249/366) weighted: 0.355 (1.86e+05/5.23e+05) <3: 0.19 (4/21) <3w: 0.143 (9.47e+03/6.61e+04) Model 4 Missing interactions: 0.675 (241/357) weighted: 0.385 (1.89e+05/4.9e+05) <3: 0.15 (3/20) <3w: 0.13 (9.39e+03/7.24e+04) Model 5 Missing interactions: 0.689 (233/338) weighted: 0.38 (1.61e+05/4.25e+05) <3: 0.19 (4/21) <3w: 0.162 (9.45e+03/5.83e+04) Model 6 Missing interactions: 0.666 (235/353) weighted: 0.38 (1.88e+05/4.96e+05) <3: 0.136 (3/22) <3w: 0.143 (9.39e+03/6.55e+04) Model 7 Missing interactions: 0.66 (233/353) weighted: 0.37 (2.01e+05/5.44e+05) <3: 0.15 (3/20) <3w: 0.136 (9.39e+03/6.91e+04) Model 8 Missing interactions: 0.694 (252/363) weighted: 0.432 (2.21e+05/5.11e+05) <3: 0.143 (3/21) <3w: 0.103 (9.39e+03/9.08e+04) Model 9 Missing interactions: 0.705 (239/339) weighted: 0.449 (2.1e+05/4.68e+05) <3: 0.182 (4/22) <3w: 0.16 (9.45e+03/5.9e+04) Model 10 Missing interactions: 0.677 (239/353) weighted: 0.354 (1.88e+05/5.31e+05) <3: 0.238 (5/21) <3w: 0.167 (9.52e+03/5.68e+04) Model 11 Missing interactions: 0.717 (236/329) weighted: 0.432 (1.97e+05/4.56e+05) <3: 0.182 (4/22) <3w: 0.111 (9.46e+03/8.56e+04) Model 12 Missing interactions: 0.678 (246/363) weighted: 0.54 (2.96e+05/5.48e+05) <3: 0.15 (3/20) <3w: 0.127 (9.39e+03/7.38e+04) Model 13 Missing interactions: 0.667 (224/336) weighted: 0.371 (1.76e+05/4.74e+05) <3: 0.143 (3/21) <3w: 0.152 (9.39e+03/6.16e+04) Model 14 Missing interactions: 0.696 (259/372) weighted: 0.427 (2.48e+05/5.81e+05) <3: 0.174 (4/23) <3w: 0.111 (9.45e+03/8.53e+04) Model 15 Missing interactions: 0.683 (231/338) weighted: 0.403 (1.99e+05/4.94e+05) <3: 0.19 (4/21) <3w: 0.111 (9.46e+03/8.51e+04) Model 16 Missing interactions: 0.704 (236/335) weighted: 0.411 (2.26e+05/5.5e+05) <3: 0.174 (4/23) <3w: 0.0939 (9.46e+03/1.01e+05) Model 17 Missing interactions: 0.664 (249/375) weighted: 0.339 (1.93e+05/5.68e+05) <3: 0.182 (4/22) <3w: 0.138 (9.46e+03/6.84e+04) Model 18 Missing interactions: 0.656 (219/334) weighted: 0.362 (1.6e+05/4.41e+05) <3: 0.15 (3/20) <3w: 0.142 (9.39e+03/6.63e+04) Model 19 Missing interactions: 0.713 (243/341) weighted: 0.508 (2.67e+05/5.25e+05) <3: 0.136 (3/22) <3w: 0.138 (9.39e+03/6.78e+04) Model 20 Missing interactions: 0.716 (232/324) weighted: 0.46 (2.27e+05/4.93e+05) <3: 0.182 (4/22) <3w: 0.109 (9.45e+03/8.68e+04) Model ave Recall: 0.706 Precision: all: 0.352 allw: 0.731 <3: 0.762 <3w: 0.837 F-measure:(Recall,Precision) 0.47 F-measure:(Recall,PrecisionW) 0.718 F-measure:(0,PrecisionIdeal) 0.865 F-measure:(0,PrecisionIdealW) 0.911 Model 1 Recall: 0.889 Precision: all: 0.333 allw: 0.622 <3: 0.85 <3w: 0.86 F-measure:(Recall,Precision) 0.485 F-measure:(Recall,PrecisionW) 0.732 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.925 Model 2 Recall: 0.897 Precision: all: 0.341 allw: 0.642 <3: 0.857 <3w: 0.894 F-measure:(Recall,Precision) 0.494 F-measure:(Recall,PrecisionW) 0.748 F-measure:(0,PrecisionIdeal) 0.923 F-measure:(0,PrecisionIdealW) 0.944 Model 3 Recall: 0.889 Precision: all: 0.32 allw: 0.645 <3: 0.81 <3w: 0.857 F-measure:(Recall,Precision) 0.47 F-measure:(Recall,PrecisionW) 0.748 F-measure:(0,PrecisionIdeal) 0.895 F-measure:(0,PrecisionIdealW) 0.923 Model 4 Recall: 0.905 Precision: all: 0.325 allw: 0.615 <3: 0.85 <3w: 0.87 F-measure:(Recall,Precision) 0.478 F-measure:(Recall,PrecisionW) 0.732 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.931 Model 5 Recall: 0.849 Precision: all: 0.311 allw: 0.62 <3: 0.81 <3w: 0.838 F-measure:(Recall,Precision) 0.455 F-measure:(Recall,PrecisionW) 0.717 F-measure:(0,PrecisionIdeal) 0.895 F-measure:(0,PrecisionIdealW) 0.912 Model 6 Recall: 0.897 Precision: all: 0.334 allw: 0.62 <3: 0.864 <3w: 0.857 F-measure:(Recall,Precision) 0.487 F-measure:(Recall,PrecisionW) 0.733 F-measure:(0,PrecisionIdeal) 0.927 F-measure:(0,PrecisionIdealW) 0.923 Model 7 Recall: 0.913 Precision: all: 0.34 allw: 0.63 <3: 0.85 <3w: 0.864 F-measure:(Recall,Precision) 0.495 F-measure:(Recall,PrecisionW) 0.746 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.927 Model 8 Recall: 0.897 Precision: all: 0.306 allw: 0.568 <3: 0.857 <3w: 0.897 F-measure:(Recall,Precision) 0.456 F-measure:(Recall,PrecisionW) 0.695 F-measure:(0,PrecisionIdeal) 0.923 F-measure:(0,PrecisionIdealW) 0.946 Model 9 Recall: 0.817 Precision: all: 0.295 allw: 0.551 <3: 0.818 <3w: 0.84 F-measure:(Recall,Precision) 0.434 F-measure:(Recall,PrecisionW) 0.658 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.913 Model 10 Recall: 0.905 Precision: all: 0.323 allw: 0.646 <3: 0.762 <3w: 0.833 F-measure:(Recall,Precision) 0.476 F-measure:(Recall,PrecisionW) 0.754 F-measure:(0,PrecisionIdeal) 0.865 F-measure:(0,PrecisionIdealW) 0.909 Model 11 Recall: 0.77 Precision: all: 0.283 allw: 0.568 <3: 0.818 <3w: 0.889 F-measure:(Recall,Precision) 0.414 F-measure:(Recall,PrecisionW) 0.653 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.941 Model 12 Recall: 0.905 Precision: all: 0.322 allw: 0.46 <3: 0.85 <3w: 0.873 F-measure:(Recall,Precision) 0.475 F-measure:(Recall,PrecisionW) 0.61 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.932 Model 13 Recall: 0.905 Precision: all: 0.333 allw: 0.629 <3: 0.857 <3w: 0.848 F-measure:(Recall,Precision) 0.487 F-measure:(Recall,PrecisionW) 0.742 F-measure:(0,PrecisionIdeal) 0.923 F-measure:(0,PrecisionIdealW) 0.918 Model 14 Recall: 0.897 Precision: all: 0.304 allw: 0.573 <3: 0.826 <3w: 0.889 F-measure:(Recall,Precision) 0.454 F-measure:(Recall,PrecisionW) 0.7 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.941 Model 15 Recall: 0.857 Precision: all: 0.317 allw: 0.597 <3: 0.81 <3w: 0.889 F-measure:(Recall,Precision) 0.462 F-measure:(Recall,PrecisionW) 0.704 F-measure:(0,PrecisionIdeal) 0.895 F-measure:(0,PrecisionIdealW) 0.941 Model 16 Recall: 0.778 Precision: all: 0.296 allw: 0.589 <3: 0.826 <3w: 0.906 F-measure:(Recall,Precision) 0.428 F-measure:(Recall,PrecisionW) 0.671 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.951 Model 17 Recall: 0.913 Precision: all: 0.336 allw: 0.661 <3: 0.818 <3w: 0.862 F-measure:(Recall,Precision) 0.491 F-measure:(Recall,PrecisionW) 0.767 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.926 Model 18 Recall: 0.897 Precision: all: 0.344 allw: 0.638 <3: 0.85 <3w: 0.858 F-measure:(Recall,Precision) 0.498 F-measure:(Recall,PrecisionW) 0.745 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.924 Model 19 Recall: 0.817 Precision: all: 0.287 allw: 0.492 <3: 0.864 <3w: 0.862 F-measure:(Recall,Precision) 0.425 F-measure:(Recall,PrecisionW) 0.614 F-measure:(0,PrecisionIdeal) 0.927 F-measure:(0,PrecisionIdealW) 0.926 Model 20 Recall: 0.802 Precision: all: 0.284 allw: 0.54 <3: 0.818 <3w: 0.891 F-measure:(Recall,Precision) 0.419 F-measure:(Recall,PrecisionW) 0.645 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.942 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: 0.0816(151/1850) Model 1 Inconsistent score: 0.0584(108/1850) Model 2 Inconsistent score: 0.0703(130/1850) Model 3 Inconsistent score: 0.0551(102/1850) Model 4 Inconsistent score: 0.067(124/1850) Model 5 Inconsistent score: 0.0708(131/1850) Model 6 Inconsistent score: 0.0557(103/1850) Model 7 Inconsistent score: 0.0605(112/1850) Model 8 Inconsistent score: 0.0643(119/1850) Model 9 Inconsistent score: 0.0654(121/1850) Model 10 Inconsistent score: 0.0686(127/1850) Model 11 Inconsistent score: 0.0708(131/1850) Model 12 Inconsistent score: 0.0919(170/1850) Model 13 Inconsistent score: 0.0676(125/1850) Model 14 Inconsistent score: 0.0568(105/1850) Model 15 Inconsistent score: 0.0616(114/1850) Model 16 Inconsistent score: 0.0719(133/1850) Model 17 Inconsistent score: 0.0519(96/1850) Model 18 Inconsistent score: 0.06(111/1850) Model 19 Inconsistent score: 0.0632(117/1850) Model 20 Inconsistent score: 0.067(124/1850) Model ave Missing interactions: 0.445 (1.18e+03/2647) weighted: 0.0848 (5.54e+05/6.53e+06) <3: 0.0505 (19/376) <3w: 0.0305 (1.21e+05/3.97e+06) Model 1 Missing interactions: 0.514 (1.73e+03/3366) weighted: 0.174 (1.66e+06/9.58e+06) <3: 0.0494 (19/385) <3w: 0.0302 (1.19e+05/3.95e+06) Model 2 Missing interactions: 0.501 (1.62e+03/3234) weighted: 0.148 (1.37e+06/9.25e+06) <3: 0.0499 (19/381) <3w: 0.0283 (1.13e+05/3.99e+06) Model 3 Missing interactions: 0.512 (1.73e+03/3376) weighted: 0.151 (1.41e+06/9.32e+06) <3: 0.05 (19/380) <3w: 0.0286 (1.15e+05/4.03e+06) Model 4 Missing interactions: 0.5 (1.59e+03/3190) weighted: 0.171 (1.56e+06/9.12e+06) <3: 0.05 (19/380) <3w: 0.0293 (1.19e+05/4.08e+06) Model 5 Missing interactions: 0.5 (1.63e+03/3266) weighted: 0.146 (1.31e+06/8.93e+06) <3: 0.0494 (19/385) <3w: 0.0288 (1.15e+05/3.99e+06) Model 6 Missing interactions: 0.497 (1.64e+03/3300) weighted: 0.144 (1.3e+06/9.07e+06) <3: 0.0497 (19/382) <3w: 0.0286 (1.14e+05/3.97e+06) Model 7 Missing interactions: 0.503 (1.66e+03/3300) weighted: 0.16 (1.52e+06/9.49e+06) <3: 0.05 (19/380) <3w: 0.028 (1.13e+05/4.04e+06) Model 8 Missing interactions: 0.501 (1.62e+03/3233) weighted: 0.156 (1.46e+06/9.32e+06) <3: 0.0492 (19/386) <3w: 0.0282 (1.17e+05/4.13e+06) Model 9 Missing interactions: 0.508 (1.67e+03/3295) weighted: 0.168 (1.58e+06/9.36e+06) <3: 0.0494 (19/385) <3w: 0.0288 (1.15e+05/4.01e+06) Model 10 Missing interactions: 0.507 (1.68e+03/3304) weighted: 0.149 (1.35e+06/9.1e+06) <3: 0.0494 (19/385) <3w: 0.0298 (1.19e+05/3.98e+06) Model 11 Missing interactions: 0.517 (1.72e+03/3319) weighted: 0.16 (1.47e+06/9.21e+06) <3: 0.0491 (19/387) <3w: 0.0278 (1.11e+05/4.01e+06) Model 12 Missing interactions: 0.498 (1.56e+03/3124) weighted: 0.167 (1.52e+06/9.13e+06) <3: 0.0496 (19/383) <3w: 0.0298 (1.19e+05/3.98e+06) Model 13 Missing interactions: 0.491 (1.56e+03/3186) weighted: 0.137 (1.21e+06/8.81e+06) <3: 0.0499 (19/381) <3w: 0.0293 (1.16e+05/3.95e+06) Model 14 Missing interactions: 0.51 (1.7e+03/3330) weighted: 0.158 (1.47e+06/9.3e+06) <3: 0.0488 (19/389) <3w: 0.0291 (1.16e+05/3.97e+06) Model 15 Missing interactions: 0.501 (1.64e+03/3274) weighted: 0.144 (1.29e+06/8.96e+06) <3: 0.0495 (19/384) <3w: 0.0269 (1.09e+05/4.05e+06) Model 16 Missing interactions: 0.502 (1.63e+03/3253) weighted: 0.157 (1.43e+06/9.12e+06) <3: 0.0495 (19/384) <3w: 0.0293 (1.19e+05/4.06e+06) Model 17 Missing interactions: 0.498 (1.68e+03/3379) weighted: 0.164 (1.5e+06/9.19e+06) <3: 0.0494 (19/385) <3w: 0.0295 (1.18e+05/3.99e+06) Model 18 Missing interactions: 0.499 (1.62e+03/3237) weighted: 0.156 (1.42e+06/9.08e+06) <3: 0.0496 (19/383) <3w: 0.0307 (1.22e+05/3.98e+06) Model 19 Missing interactions: 0.508 (1.67e+03/3291) weighted: 0.154 (1.4e+06/9.09e+06) <3: 0.0492 (19/386) <3w: 0.0302 (1.18e+05/3.92e+06) Model 20 Missing interactions: 0.512 (1.7e+03/3313) weighted: 0.164 (1.51e+06/9.18e+06) <3: 0.0492 (19/386) <3w: 0.0301 (1.21e+05/4.01e+06) Model ave Recall: 0.918 Precision: all: 0.555 allw: 0.915 <3: 0.949 <3w: 0.97 F-measure:(Recall,Precision) 0.692 F-measure:(Recall,PrecisionW) 0.917 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 1 Recall: 0.942 Precision: all: 0.486 allw: 0.826 <3: 0.951 <3w: 0.97 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 2 Recall: 0.93 Precision: all: 0.499 allw: 0.852 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.649 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 3 Recall: 0.945 Precision: all: 0.488 allw: 0.849 <3: 0.95 <3w: 0.971 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 4 Recall: 0.933 Precision: all: 0.5 allw: 0.829 <3: 0.95 <3w: 0.971 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 5 Recall: 0.929 Precision: all: 0.5 allw: 0.854 <3: 0.951 <3w: 0.971 F-measure:(Recall,Precision) 0.65 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 6 Recall: 0.944 Precision: all: 0.503 allw: 0.856 <3: 0.95 <3w: 0.971 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 7 Recall: 0.939 Precision: all: 0.497 allw: 0.84 <3: 0.95 <3w: 0.972 F-measure:(Recall,Precision) 0.65 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.986 Model 8 Recall: 0.936 Precision: all: 0.499 allw: 0.844 <3: 0.951 <3w: 0.972 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.986 Model 9 Recall: 0.935 Precision: all: 0.492 allw: 0.832 <3: 0.951 <3w: 0.971 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 10 Recall: 0.931 Precision: all: 0.493 allw: 0.851 <3: 0.951 <3w: 0.97 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 11 Recall: 0.929 Precision: all: 0.483 allw: 0.84 <3: 0.951 <3w: 0.972 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.986 Model 12 Recall: 0.908 Precision: all: 0.502 allw: 0.833 <3: 0.95 <3w: 0.97 F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.869 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 13 Recall: 0.932 Precision: all: 0.509 allw: 0.863 <3: 0.95 <3w: 0.971 F-measure:(Recall,Precision) 0.658 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.985 Model 14 Recall: 0.943 Precision: all: 0.49 allw: 0.842 <3: 0.951 <3w: 0.971 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 15 Recall: 0.938 Precision: all: 0.499 allw: 0.856 <3: 0.951 <3w: 0.973 F-measure:(Recall,Precision) 0.652 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.986 Model 16 Recall: 0.928 Precision: all: 0.498 allw: 0.843 <3: 0.951 <3w: 0.971 F-measure:(Recall,Precision) 0.648 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 17 Recall: 0.948 Precision: all: 0.502 allw: 0.836 <3: 0.951 <3w: 0.971 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 18 Recall: 0.94 Precision: all: 0.501 allw: 0.844 <3: 0.95 <3w: 0.969 F-measure:(Recall,Precision) 0.654 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.984 Model 19 Recall: 0.937 Precision: all: 0.492 allw: 0.846 <3: 0.951 <3w: 0.97 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.975 F-measure:(0,PrecisionIdealW) 0.985 Model 20 Recall: 0.933 Precision: all: 0.488 allw: 0.836 <3: 0.951 <3w: 0.97 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.882 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: 0.915 Final Precision-score for input query structures: 0.917 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: 0.916 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.725 Model 1 Final Recall-score for input query structures: 0.944 Final Precision-score for input query structures: 0.837 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: 0.887 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.612 Model 2 Final Recall-score for input query structures: 0.939 Final Precision-score for input query structures: 0.858 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.897 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.648 Model 3 Final Recall-score for input query structures: 0.948 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: 0.9 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.663 Model 4 Final Recall-score for input query structures: 0.936 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.973 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: 0.884 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.6 Model 5 Final Recall-score for input query structures: 0.932 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: 0.896 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.647 Model 6 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: 0.974 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.902 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.668 Model 7 Final Recall-score for input query structures: 0.944 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: 0.895 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.641 Model 8 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: 0.892 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.629 Model 9 Final Recall-score for input query structures: 0.934 Final Precision-score for input query structures: 0.84 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: 0.885 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.604 Model 10 Final Recall-score for input query structures: 0.94 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: 0.894 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.639 Model 11 Final Recall-score for input query structures: 0.929 Final Precision-score for input query structures: 0.842 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: 0.884 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.598 Model 12 Final Recall-score for input query structures: 0.918 Final Precision-score for input query structures: 0.841 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: 0.878 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.576 Model 13 Final Recall-score for input query structures: 0.939 Final Precision-score for input query structures: 0.868 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 14 Final Recall-score for input query structures: 0.947 Final Precision-score for input query structures: 0.846 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: 0.894 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.639 Model 15 Final Recall-score for input query structures: 0.939 Final Precision-score for input query structures: 0.864 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.975 Final Recall-score for freely-rotating-chain model: 0.628 Final Precision-score for freely-rotating-chain model: 0.875 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.66 Model 16 Final Recall-score for input query structures: 0.93 Final Precision-score for input query structures: 0.851 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: 0.888 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.616 Model 17 Final Recall-score for input query structures: 0.952 Final Precision-score for input query structures: 0.847 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.973 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: 0.896 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.647 Model 18 Final Recall-score for input query structures: 0.942 Final Precision-score for input query structures: 0.855 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 19 Final Recall-score for input query structures: 0.935 Final Precision-score for input query structures: 0.843 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: 0.887 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.612 Model 20 Final Recall-score for input query structures: 0.932 Final Precision-score for input query structures: 0.844 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: 0.885 F-score of ideal true structures: 0.986 F-score of freely-rotating-chain model: 0.731 DP-Score: 0.604 Statistics: =========== NOESY_Assign: User CPU Time: 23.6 sec. Syst CPU Time: 0.39 sec. Other Processes: User CPU Time: 0.34 sec. Syst CPU Time: 0.03 sec. Total Elapsed Time: 24.4 sec.