# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 10:01:14 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR4694F_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR4694F_NMR_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 137 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: -0.00038 Average ab-shift in HX: 0.00051(Assignment used: 91) Average shift in X: 0.0057 Average ab-shift in X: 0.017(Assignment used: 86) Average shift in HX2: -0.00049 Average ab-shift in HX2: 0.0018(Assignment used: 129) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0391(44/1125) Model 1 Inconsistent score: 0.0418(47/1125) Model 2 Inconsistent score: 0.0453(51/1125) Model 3 Inconsistent score: 0.0489(55/1125) Model 4 Inconsistent score: 0.0453(51/1125) Model 5 Inconsistent score: 0.0427(48/1125) Model 6 Inconsistent score: 0.04(45/1125) Model 7 Inconsistent score: 0.0409(46/1125) Model 8 Inconsistent score: 0.0453(51/1125) Model 9 Inconsistent score: 0.0453(51/1125) Model 10 Inconsistent score: 0.0453(51/1125) Model 11 Inconsistent score: 0.0382(43/1125) Model 12 Inconsistent score: 0.0382(43/1125) Model 13 Inconsistent score: 0.0444(50/1125) Model 14 Inconsistent score: 0.0471(53/1125) Model 15 Inconsistent score: 0.0418(47/1125) Model 16 Inconsistent score: 0.04(45/1125) Model 17 Inconsistent score: 0.0391(44/1125) Model 18 Inconsistent score: 0.0436(49/1125) Model 19 Inconsistent score: 0.0418(47/1125) Model 20 Inconsistent score: 0.04(45/1125) Model ave Missing interactions: 0.231 (283/1224) weighted: 0.0232 (6.58e+04/2.84e+06) <3: 0.00735 (1/136) <3w: 8.46e-05 (67.2/7.94e+05) Model 1 Missing interactions: 0.251 (315/1255) weighted: 0.0375 (1.21e+05/3.24e+06) <3: 0.00735 (1/136) <3w: 8.39e-05 (67.2/8.01e+05) Model 2 Missing interactions: 0.25 (312/1249) weighted: 0.03 (9.77e+04/3.26e+06) <3: 0.00719 (1/139) <3w: 8.26e-05 (67.2/8.13e+05) Model 3 Missing interactions: 0.259 (330/1275) weighted: 0.0525 (1.72e+05/3.27e+06) <3: 0.00719 (1/139) <3w: 8.51e-05 (66.4/7.8e+05) Model 4 Missing interactions: 0.253 (320/1267) weighted: 0.0423 (1.38e+05/3.27e+06) <3: 0.00741 (1/135) <3w: 8.76e-05 (68/7.76e+05) Model 5 Missing interactions: 0.261 (334/1279) weighted: 0.0383 (1.25e+05/3.26e+06) <3: 0.00735 (1/136) <3w: 8.45e-05 (68/8.04e+05) Model 6 Missing interactions: 0.253 (321/1270) weighted: 0.0358 (1.18e+05/3.29e+06) <3: 0.00741 (1/135) <3w: 8.15e-05 (66.4/8.14e+05) Model 7 Missing interactions: 0.262 (334/1277) weighted: 0.0494 (1.68e+05/3.41e+06) <3: 0.0073 (1/137) <3w: 8.57e-05 (67.2/7.84e+05) Model 8 Missing interactions: 0.244 (300/1229) weighted: 0.0254 (8.28e+04/3.25e+06) <3: 0.0073 (1/137) <3w: 8.36e-05 (68/8.13e+05) Model 9 Missing interactions: 0.264 (337/1277) weighted: 0.0297 (9.44e+04/3.18e+06) <3: 0.00719 (1/139) <3w: 8.27e-05 (66.4/8.02e+05) Model 10 Missing interactions: 0.254 (319/1258) weighted: 0.0307 (1.01e+05/3.28e+06) <3: 0.0073 (1/137) <3w: 8.42e-05 (67.2/7.98e+05) Model 11 Missing interactions: 0.244 (308/1263) weighted: 0.0361 (1.17e+05/3.25e+06) <3: 0.00725 (1/138) <3w: 7.94e-05 (67.2/8.45e+05) Model 12 Missing interactions: 0.243 (301/1239) weighted: 0.0414 (1.35e+05/3.27e+06) <3: 0.0073 (1/137) <3w: 8.43e-05 (67.2/7.97e+05) Model 13 Missing interactions: 0.249 (310/1244) weighted: 0.0363 (1.2e+05/3.31e+06) <3: 0.00735 (1/136) <3w: 8.2e-05 (67.2/8.19e+05) Model 14 Missing interactions: 0.235 (289/1228) weighted: 0.0248 (8.04e+04/3.24e+06) <3: 0.00719 (1/139) <3w: 8.4e-05 (67.2/7.99e+05) Model 15 Missing interactions: 0.249 (311/1251) weighted: 0.0329 (1.06e+05/3.23e+06) <3: 0.00741 (1/135) <3w: 8.4e-05 (67.2/8e+05) Model 16 Missing interactions: 0.245 (307/1252) weighted: 0.0407 (1.34e+05/3.29e+06) <3: 0.00725 (1/138) <3w: 8.42e-05 (68/8.08e+05) Model 17 Missing interactions: 0.25 (312/1249) weighted: 0.0403 (1.33e+05/3.3e+06) <3: 0.00741 (1/135) <3w: 8.22e-05 (67.2/8.17e+05) Model 18 Missing interactions: 0.252 (314/1248) weighted: 0.0393 (1.3e+05/3.31e+06) <3: 0.0073 (1/137) <3w: 8.53e-05 (67.2/7.87e+05) Model 19 Missing interactions: 0.245 (308/1255) weighted: 0.0389 (1.28e+05/3.3e+06) <3: 0.0073 (1/137) <3w: 8.36e-05 (67.2/8.04e+05) Model 20 Missing interactions: 0.254 (319/1258) weighted: 0.0414 (1.31e+05/3.17e+06) <3: 0.0073 (1/137) <3w: 8.52e-05 (67.2/7.89e+05) Model ave Recall: 0.961 Precision: all: 0.769 allw: 0.977 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.854 F-measure:(Recall,PrecisionW) 0.969 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.958 Precision: all: 0.749 allw: 0.962 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.841 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.955 Precision: all: 0.75 allw: 0.97 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.951 Precision: all: 0.741 allw: 0.948 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.833 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.955 Precision: all: 0.747 allw: 0.958 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.838 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.957 Precision: all: 0.739 allw: 0.962 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.96 Precision: all: 0.747 allw: 0.964 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.959 Precision: all: 0.738 allw: 0.951 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.955 Precision: all: 0.756 allw: 0.975 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.844 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.955 Precision: all: 0.736 allw: 0.97 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.831 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.955 Precision: all: 0.746 allw: 0.969 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.838 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.962 Precision: all: 0.756 allw: 0.964 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.847 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.962 Precision: all: 0.757 allw: 0.959 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.847 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.956 Precision: all: 0.751 allw: 0.964 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.841 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.953 Precision: all: 0.765 allw: 0.975 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.848 F-measure:(Recall,PrecisionW) 0.964 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.958 Precision: all: 0.751 allw: 0.967 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.842 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.96 Precision: all: 0.755 allw: 0.959 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.845 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.961 Precision: all: 0.75 allw: 0.96 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.843 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.956 Precision: all: 0.748 allw: 0.961 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.958 Precision: all: 0.755 allw: 0.961 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.844 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.96 Precision: all: 0.746 allw: 0.959 <3: 0.993 <3w: 1 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.996 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.348(392/1125) Model ave Missing interactions: 0.13 (85/652) weighted: 0.0593 (2.23e+04/3.76e+05) <3: 0.0296 (4/135) <3w: 0.0494 (1.05e+04/2.13e+05) Recall: 0.652 Precision: all: 0.87 allw: 0.941 F-measure:(RecallFree,PrecisionFree) 0.745 F-measure:(ReallFree,PrecisionFreeW) 0.77 # Summary for c_aro.peaks Total simulated peaks: 6 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: 0.00075 Average ab-shift in HX: 0.0018(Assignment used: 4) Average shift in X: 0.071 Average ab-shift in X: 0.071(Assignment used: 4) Average shift in HX2: -0.00067 Average ab-shift in HX2: 0.0037(Assignment used: 6) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.0229(3/131) Model 1 Inconsistent score: 0.0305(4/131) Model 2 Inconsistent score: 0.0305(4/131) Model 3 Inconsistent score: 0.0305(4/131) Model 4 Inconsistent score: 0.0229(3/131) Model 5 Inconsistent score: 0.0382(5/131) Model 6 Inconsistent score: 0.0305(4/131) Model 7 Inconsistent score: 0.0305(4/131) Model 8 Inconsistent score: 0.0305(4/131) Model 9 Inconsistent score: 0.0305(4/131) Model 10 Inconsistent score: 0.0305(4/131) Model 11 Inconsistent score: 0.0305(4/131) Model 12 Inconsistent score: 0.0305(4/131) Model 13 Inconsistent score: 0.0305(4/131) Model 14 Inconsistent score: 0.0382(5/131) Model 15 Inconsistent score: 0.0305(4/131) Model 16 Inconsistent score: 0.0229(3/131) Model 17 Inconsistent score: 0.0305(4/131) Model 18 Inconsistent score: 0.0305(4/131) Model 19 Inconsistent score: 0.0305(4/131) Model 20 Inconsistent score: 0.0229(3/131) Model ave Missing interactions: 0.469 (97/207) weighted: 0.0837 (2.16e+04/2.58e+05) <3: 0.417 (10/24) <3w: 0.0254 (1.48e+03/5.81e+04) Model 1 Missing interactions: 0.478 (98/205) weighted: 0.0947 (2.93e+04/3.1e+05) <3: 0.417 (10/24) <3w: 0.0254 (1.48e+03/5.82e+04) Model 2 Missing interactions: 0.486 (103/212) weighted: 0.14 (4.13e+04/2.95e+05) <3: 0.417 (10/24) <3w: 0.0255 (1.48e+03/5.82e+04) Model 3 Missing interactions: 0.453 (87/192) weighted: 0.0717 (2.15e+04/3e+05) <3: 0.417 (10/24) <3w: 0.0255 (1.48e+03/5.8e+04) Model 4 Missing interactions: 0.486 (105/216) weighted: 0.0786 (2.84e+04/3.62e+05) <3: 0.417 (10/24) <3w: 0.0254 (1.48e+03/5.82e+04) Model 5 Missing interactions: 0.477 (95/199) weighted: 0.0837 (2.95e+04/3.53e+05) <3: 0.417 (10/24) <3w: 0.0256 (1.47e+03/5.76e+04) Model 6 Missing interactions: 0.476 (101/212) weighted: 0.117 (3.92e+04/3.35e+05) <3: 0.417 (10/24) <3w: 0.0254 (1.48e+03/5.82e+04) Model 7 Missing interactions: 0.486 (104/214) weighted: 0.0747 (2.6e+04/3.48e+05) <3: 0.417 (10/24) <3w: 0.0254 (1.47e+03/5.81e+04) Model 8 Missing interactions: 0.48 (97/202) weighted: 0.125 (3.59e+04/2.87e+05) <3: 0.417 (10/24) <3w: 0.0255 (1.48e+03/5.8e+04) Model 9 Missing interactions: 0.505 (108/214) weighted: 0.102 (3.67e+04/3.6e+05) <3: 0.417 (10/24) <3w: 0.0255 (1.48e+03/5.81e+04) Model 10 Missing interactions: 0.479 (104/217) weighted: 0.118 (4.25e+04/3.61e+05) <3: 0.417 (10/24) <3w: 0.0253 (1.48e+03/5.87e+04) Model 11 Missing interactions: 0.46 (92/200) weighted: 0.1 (3.14e+04/3.12e+05) <3: 0.417 (10/24) <3w: 0.0253 (1.47e+03/5.82e+04) Model 12 Missing interactions: 0.475 (96/202) weighted: 0.093 (2.75e+04/2.96e+05) <3: 0.417 (10/24) <3w: 0.0252 (1.48e+03/5.86e+04) Model 13 Missing interactions: 0.472 (93/197) weighted: 0.123 (3.71e+04/3.01e+05) <3: 0.417 (10/24) <3w: 0.0255 (1.49e+03/5.82e+04) Model 14 Missing interactions: 0.469 (97/207) weighted: 0.102 (3.54e+04/3.46e+05) <3: 0.417 (10/24) <3w: 0.0254 (1.47e+03/5.78e+04) Model 15 Missing interactions: 0.483 (99/205) weighted: 0.0747 (2.76e+04/3.69e+05) <3: 0.417 (10/24) <3w: 0.0256 (1.48e+03/5.81e+04) Model 16 Missing interactions: 0.484 (104/215) weighted: 0.102 (3.62e+04/3.53e+05) <3: 0.417 (10/24) <3w: 0.0255 (1.48e+03/5.83e+04) Model 17 Missing interactions: 0.483 (100/207) weighted: 0.092 (3.17e+04/3.45e+05) <3: 0.417 (10/24) <3w: 0.0253 (1.48e+03/5.86e+04) Model 18 Missing interactions: 0.472 (103/218) weighted: 0.102 (3.61e+04/3.53e+05) <3: 0.417 (10/24) <3w: 0.0256 (1.48e+03/5.79e+04) Model 19 Missing interactions: 0.471 (97/206) weighted: 0.0908 (2.84e+04/3.13e+05) <3: 0.417 (10/24) <3w: 0.0254 (1.48e+03/5.82e+04) Model 20 Missing interactions: 0.488 (102/209) weighted: 0.0901 (3.2e+04/3.55e+05) <3: 0.417 (10/24) <3w: 0.0256 (1.48e+03/5.77e+04) Model ave Recall: 0.977 Precision: all: 0.531 allw: 0.916 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.688 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 1 Recall: 0.969 Precision: all: 0.522 allw: 0.905 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.679 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 2 Recall: 0.969 Precision: all: 0.514 allw: 0.86 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.672 F-measure:(Recall,PrecisionW) 0.912 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 3 Recall: 0.969 Precision: all: 0.547 allw: 0.928 <3: 0.583 <3w: 0.974 F-measure:(Recall,Precision) 0.699 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 4 Recall: 0.977 Precision: all: 0.514 allw: 0.921 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.674 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 5 Recall: 0.962 Precision: all: 0.523 allw: 0.916 <3: 0.583 <3w: 0.974 F-measure:(Recall,Precision) 0.677 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 6 Recall: 0.969 Precision: all: 0.524 allw: 0.883 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.68 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 7 Recall: 0.969 Precision: all: 0.514 allw: 0.925 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.672 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 8 Recall: 0.969 Precision: all: 0.52 allw: 0.875 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.677 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 9 Recall: 0.969 Precision: all: 0.495 allw: 0.898 <3: 0.583 <3w: 0.974 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 10 Recall: 0.969 Precision: all: 0.521 allw: 0.882 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.678 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 11 Recall: 0.969 Precision: all: 0.54 allw: 0.9 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.694 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 12 Recall: 0.969 Precision: all: 0.525 allw: 0.907 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.681 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 13 Recall: 0.969 Precision: all: 0.528 allw: 0.877 <3: 0.583 <3w: 0.974 F-measure:(Recall,Precision) 0.684 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 14 Recall: 0.962 Precision: all: 0.531 allw: 0.898 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.685 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 15 Recall: 0.969 Precision: all: 0.517 allw: 0.925 <3: 0.583 <3w: 0.974 F-measure:(Recall,Precision) 0.674 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 16 Recall: 0.977 Precision: all: 0.516 allw: 0.898 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.676 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 17 Recall: 0.969 Precision: all: 0.517 allw: 0.908 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.674 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 18 Recall: 0.969 Precision: all: 0.528 allw: 0.898 <3: 0.583 <3w: 0.974 F-measure:(Recall,Precision) 0.683 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 19 Recall: 0.969 Precision: all: 0.529 allw: 0.909 <3: 0.583 <3w: 0.975 F-measure:(Recall,Precision) 0.685 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 Model 20 Recall: 0.977 Precision: all: 0.512 allw: 0.91 <3: 0.583 <3w: 0.974 F-measure:(Recall,Precision) 0.672 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.987 For freely-rotating-chain model: Model ave Inconsistent score: 0.626(82/131) Model ave Missing interactions: 0.469 (30/64) weighted: 0.613 (2.7e+04/4.41e+04) <3: 0.559 (19/34) <3w: 0.651 (2.6e+04/3.99e+04) Recall: 0.374 Precision: all: 0.531 allw: 0.387 F-measure:(RecallFree,PrecisionFree) 0.439 F-measure:(ReallFree,PrecisionFreeW) 0.38 # Summary for c_ali.peaks Total simulated peaks: 733 Number of peaks NOT matched in the Peak List: 31 M score = 0.042 Average shift in HX: -0.00039 Average ab-shift in HX: 0.0011(Assignment used: 350) Average shift in X: 3e-05 Average ab-shift in X: 0.005(Assignment used: 264) Average shift in HX2: -4.8e-05 Average ab-shift in HX2: 0.0013(Assignment used: 412) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.01(31/3099) Model 1 Inconsistent score: 0.0106(33/3099) Model 2 Inconsistent score: 0.0103(32/3099) Model 3 Inconsistent score: 0.0106(33/3099) Model 4 Inconsistent score: 0.011(34/3099) Model 5 Inconsistent score: 0.0103(32/3099) Model 6 Inconsistent score: 0.0116(36/3099) Model 7 Inconsistent score: 0.0103(32/3099) Model 8 Inconsistent score: 0.0103(32/3099) Model 9 Inconsistent score: 0.0119(37/3099) Model 10 Inconsistent score: 0.00968(30/3099) Model 11 Inconsistent score: 0.01(31/3099) Model 12 Inconsistent score: 0.00936(29/3099) Model 13 Inconsistent score: 0.00936(29/3099) Model 14 Inconsistent score: 0.0113(35/3099) Model 15 Inconsistent score: 0.00839(26/3099) Model 16 Inconsistent score: 0.0113(35/3099) Model 17 Inconsistent score: 0.0106(33/3099) Model 18 Inconsistent score: 0.0113(35/3099) Model 19 Inconsistent score: 0.00807(25/3099) Model 20 Inconsistent score: 0.011(34/3099) Model ave Missing interactions: 0.414 (1.54e+03/3733) weighted: 0.0817 (7.76e+05/9.49e+06) <3: 0.034 (18/529) <3w: 0.017 (8.25e+04/4.86e+06) Model 1 Missing interactions: 0.426 (1.65e+03/3872) weighted: 0.109 (1.18e+06/1.09e+07) <3: 0.034 (18/529) <3w: 0.0147 (7.23e+04/4.91e+06) Model 2 Missing interactions: 0.428 (1.66e+03/3885) weighted: 0.109 (1.2e+06/1.1e+07) <3: 0.0338 (18/532) <3w: 0.0204 (1e+05/4.9e+06) Model 3 Missing interactions: 0.43 (1.7e+03/3938) weighted: 0.119 (1.31e+06/1.1e+07) <3: 0.0338 (18/532) <3w: 0.0151 (7.42e+04/4.9e+06) Model 4 Missing interactions: 0.427 (1.68e+03/3926) weighted: 0.105 (1.15e+06/1.1e+07) <3: 0.0341 (18/528) <3w: 0.0164 (7.97e+04/4.86e+06) Model 5 Missing interactions: 0.429 (1.69e+03/3951) weighted: 0.116 (1.32e+06/1.13e+07) <3: 0.034 (18/529) <3w: 0.0156 (7.72e+04/4.95e+06) Model 6 Missing interactions: 0.433 (1.72e+03/3984) weighted: 0.113 (1.29e+06/1.14e+07) <3: 0.0341 (18/528) <3w: 0.0155 (7.7e+04/4.97e+06) Model 7 Missing interactions: 0.437 (1.75e+03/3991) weighted: 0.117 (1.35e+06/1.15e+07) <3: 0.034 (18/530) <3w: 0.0155 (7.54e+04/4.87e+06) Model 8 Missing interactions: 0.428 (1.64e+03/3829) weighted: 0.102 (1.13e+06/1.11e+07) <3: 0.034 (18/530) <3w: 0.0177 (8.82e+04/4.97e+06) Model 9 Missing interactions: 0.434 (1.73e+03/3990) weighted: 0.108 (1.22e+06/1.13e+07) <3: 0.0338 (18/532) <3w: 0.0178 (8.85e+04/4.98e+06) Model 10 Missing interactions: 0.44 (1.72e+03/3920) weighted: 0.108 (1.21e+06/1.12e+07) <3: 0.034 (18/530) <3w: 0.0154 (7.61e+04/4.93e+06) Model 11 Missing interactions: 0.433 (1.72e+03/3976) weighted: 0.119 (1.35e+06/1.13e+07) <3: 0.0339 (18/531) <3w: 0.0185 (9.1e+04/4.92e+06) Model 12 Missing interactions: 0.428 (1.66e+03/3874) weighted: 0.104 (1.18e+06/1.13e+07) <3: 0.034 (18/530) <3w: 0.018 (8.85e+04/4.91e+06) Model 13 Missing interactions: 0.432 (1.69e+03/3909) weighted: 0.114 (1.28e+06/1.12e+07) <3: 0.034 (18/529) <3w: 0.0179 (8.84e+04/4.94e+06) Model 14 Missing interactions: 0.427 (1.68e+03/3924) weighted: 0.104 (1.17e+06/1.13e+07) <3: 0.0338 (18/532) <3w: 0.0163 (7.98e+04/4.89e+06) Model 15 Missing interactions: 0.423 (1.66e+03/3917) weighted: 0.114 (1.3e+06/1.14e+07) <3: 0.0341 (18/528) <3w: 0.0169 (8.31e+04/4.91e+06) Model 16 Missing interactions: 0.432 (1.7e+03/3923) weighted: 0.123 (1.4e+06/1.14e+07) <3: 0.0339 (18/531) <3w: 0.0177 (8.73e+04/4.92e+06) Model 17 Missing interactions: 0.428 (1.66e+03/3892) weighted: 0.103 (1.14e+06/1.11e+07) <3: 0.0341 (18/528) <3w: 0.0157 (7.78e+04/4.95e+06) Model 18 Missing interactions: 0.431 (1.69e+03/3928) weighted: 0.107 (1.19e+06/1.12e+07) <3: 0.034 (18/530) <3w: 0.0157 (7.61e+04/4.86e+06) Model 19 Missing interactions: 0.435 (1.73e+03/3981) weighted: 0.115 (1.3e+06/1.14e+07) <3: 0.034 (18/530) <3w: 0.0177 (8.7e+04/4.91e+06) Model 20 Missing interactions: 0.431 (1.68e+03/3894) weighted: 0.104 (1.16e+06/1.11e+07) <3: 0.034 (18/530) <3w: 0.0153 (7.55e+04/4.93e+06) Model ave Recall: 0.99 Precision: all: 0.586 allw: 0.918 <3: 0.966 <3w: 0.983 F-measure:(Recall,Precision) 0.737 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.991 Model 1 Recall: 0.989 Precision: all: 0.574 allw: 0.891 <3: 0.966 <3w: 0.985 F-measure:(Recall,Precision) 0.726 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.993 Model 2 Recall: 0.99 Precision: all: 0.572 allw: 0.891 <3: 0.966 <3w: 0.98 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.99 Model 3 Recall: 0.989 Precision: all: 0.57 allw: 0.881 <3: 0.966 <3w: 0.985 F-measure:(Recall,Precision) 0.723 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.992 Model 4 Recall: 0.989 Precision: all: 0.573 allw: 0.895 <3: 0.966 <3w: 0.984 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.992 Model 5 Recall: 0.99 Precision: all: 0.571 allw: 0.884 <3: 0.966 <3w: 0.984 F-measure:(Recall,Precision) 0.724 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.992 Model 6 Recall: 0.988 Precision: all: 0.567 allw: 0.887 <3: 0.966 <3w: 0.985 F-measure:(Recall,Precision) 0.721 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.992 Model 7 Recall: 0.99 Precision: all: 0.563 allw: 0.883 <3: 0.966 <3w: 0.985 F-measure:(Recall,Precision) 0.717 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.992 Model 8 Recall: 0.99 Precision: all: 0.572 allw: 0.898 <3: 0.966 <3w: 0.982 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.991 Model 9 Recall: 0.988 Precision: all: 0.566 allw: 0.892 <3: 0.966 <3w: 0.982 F-measure:(Recall,Precision) 0.72 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.991 Model 10 Recall: 0.99 Precision: all: 0.56 allw: 0.892 <3: 0.966 <3w: 0.985 F-measure:(Recall,Precision) 0.715 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.992 Model 11 Recall: 0.99 Precision: all: 0.567 allw: 0.881 <3: 0.966 <3w: 0.981 F-measure:(Recall,Precision) 0.721 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.991 Model 12 Recall: 0.991 Precision: all: 0.572 allw: 0.896 <3: 0.966 <3w: 0.982 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.991 Model 13 Recall: 0.991 Precision: all: 0.568 allw: 0.886 <3: 0.966 <3w: 0.982 F-measure:(Recall,Precision) 0.722 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.991 Model 14 Recall: 0.989 Precision: all: 0.573 allw: 0.896 <3: 0.966 <3w: 0.984 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.992 Model 15 Recall: 0.992 Precision: all: 0.577 allw: 0.886 <3: 0.966 <3w: 0.983 F-measure:(Recall,Precision) 0.729 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.991 Model 16 Recall: 0.989 Precision: all: 0.568 allw: 0.877 <3: 0.966 <3w: 0.982 F-measure:(Recall,Precision) 0.721 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.991 Model 17 Recall: 0.989 Precision: all: 0.572 allw: 0.897 <3: 0.966 <3w: 0.984 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.992 Model 18 Recall: 0.989 Precision: all: 0.569 allw: 0.893 <3: 0.966 <3w: 0.984 F-measure:(Recall,Precision) 0.722 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.992 Model 19 Recall: 0.992 Precision: all: 0.565 allw: 0.885 <3: 0.966 <3w: 0.982 F-measure:(Recall,Precision) 0.72 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.991 Model 20 Recall: 0.989 Precision: all: 0.569 allw: 0.896 <3: 0.966 <3w: 0.985 F-measure:(Recall,Precision) 0.722 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.992 For freely-rotating-chain model: Model ave Inconsistent score: 0.28(867/3099) Model ave Missing interactions: 0.288 (459/1595) weighted: 0.0908 (1.02e+05/1.12e+06) <3: 0.0344 (18/524) <3w: 0.0327 (2.66e+04/8.13e+05) Recall: 0.72 Precision: all: 0.712 allw: 0.909 F-measure:(RecallFree,PrecisionFree) 0.716 F-measure:(ReallFree,PrecisionFreeW) 0.804 Final M-score 0.0354 31/876 Model ave Final Recall-score for input query structures: 0.982 Final Precision-score for input query structures: 0.931 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.985 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.956 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.824 Model 1 Final Recall-score for input query structures: 0.981 Final Precision-score for input query structures: 0.908 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.987 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.943 F-score of ideal true structures: 0.994 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.758 Model 2 Final Recall-score for input query structures: 0.98 Final Precision-score for input query structures: 0.908 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.943 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.769 Model 3 Final Recall-score for input query structures: 0.979 Final Precision-score for input query structures: 0.897 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.987 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.936 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.729 Model 4 Final Recall-score for input query structures: 0.98 Final Precision-score for input query structures: 0.91 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.986 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.944 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.767 Model 5 Final Recall-score for input query structures: 0.98 Final Precision-score for input query structures: 0.901 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.986 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.939 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.743 Model 6 Final Recall-score for input query structures: 0.98 Final Precision-score for input query structures: 0.904 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.987 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.941 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.752 Model 7 Final Recall-score for input query structures: 0.981 Final Precision-score for input query structures: 0.899 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.987 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.938 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.738 Model 8 Final Recall-score for input query structures: 0.98 Final Precision-score for input query structures: 0.914 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.985 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.946 F-score of ideal true structures: 0.992 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.78 Model 9 Final Recall-score for input query structures: 0.979 Final Precision-score for input query structures: 0.909 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.985 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.943 F-score of ideal true structures: 0.992 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.766 Model 10 Final Recall-score for input query structures: 0.98 Final Precision-score for input query structures: 0.909 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.987 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.943 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.762 Model 11 Final Recall-score for input query structures: 0.982 Final Precision-score for input query structures: 0.899 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.984 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.939 F-score of ideal true structures: 0.992 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.746 Model 12 Final Recall-score for input query structures: 0.983 Final Precision-score for input query structures: 0.91 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.984 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.945 F-score of ideal true structures: 0.992 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.775 Model 13 Final Recall-score for input query structures: 0.981 Final Precision-score for input query structures: 0.903 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.985 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.94 F-score of ideal true structures: 0.992 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.751 Model 14 Final Recall-score for input query structures: 0.979 Final Precision-score for input query structures: 0.913 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.986 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.945 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.771 Model 15 Final Recall-score for input query structures: 0.982 Final Precision-score for input query structures: 0.904 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.985 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.942 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.757 Model 16 Final Recall-score for input query structures: 0.981 Final Precision-score for input query structures: 0.896 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.985 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.936 F-score of ideal true structures: 0.992 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.732 Model 17 Final Recall-score for input query structures: 0.981 Final Precision-score for input query structures: 0.912 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.986 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.945 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.771 Model 18 Final Recall-score for input query structures: 0.98 Final Precision-score for input query structures: 0.909 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.986 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.943 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.762 Model 19 Final Recall-score for input query structures: 0.983 Final Precision-score for input query structures: 0.902 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.985 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.941 F-score of ideal true structures: 0.992 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.756 Model 20 Final Recall-score for input query structures: 0.981 Final Precision-score for input query structures: 0.91 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.987 Final Recall-score for freely-rotating-chain model: 0.692 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.944 F-score of ideal true structures: 0.993 F-score of freely-rotating-chain model: 0.783 DP-Score: 0.767 Statistics: =========== NOESY_Assign: User CPU Time: 50.2 sec. Syst CPU Time: 0.82 sec. Other Processes: User CPU Time: 0.62 sec. Syst CPU Time: 0.04 sec. Total Elapsed Time: 51.8 sec.