# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 14:09:02 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/OR8C_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q OR8C_NMR_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 192 Number of peaks NOT matched in the Peak List: 7 M score = 0.036 Average shift in HX: 0.00089 Average ab-shift in HX: 0.0013(Assignment used: 136) Average shift in X: 0.003 Average ab-shift in X: 0.0072(Assignment used: 129) Average shift in HX2: 0.00048 Average ab-shift in HX2: 0.0039(Assignment used: 181) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0443(67/1512) Model 1 Inconsistent score: 0.0443(67/1512) Model 2 Inconsistent score: 0.043(65/1512) Model 3 Inconsistent score: 0.043(65/1512) Model 4 Inconsistent score: 0.0437(66/1512) Model 5 Inconsistent score: 0.0397(60/1512) Model 6 Inconsistent score: 0.0476(72/1512) Model 7 Inconsistent score: 0.0437(66/1512) Model 8 Inconsistent score: 0.047(71/1512) Model 9 Inconsistent score: 0.0489(74/1512) Model 10 Inconsistent score: 0.0456(69/1512) Model 11 Inconsistent score: 0.0403(61/1512) Model 12 Inconsistent score: 0.0417(63/1512) Model 13 Inconsistent score: 0.0417(63/1512) Model 14 Inconsistent score: 0.0403(61/1512) Model 15 Inconsistent score: 0.0437(66/1512) Model 16 Inconsistent score: 0.0437(66/1512) Model 17 Inconsistent score: 0.0443(67/1512) Model 18 Inconsistent score: 0.0456(69/1512) Model 19 Inconsistent score: 0.0476(72/1512) Model 20 Inconsistent score: 0.043(65/1512) Model ave Missing interactions: 0.336 (700/2083) weighted: 0.0519 (2.46e+05/4.74e+06) <3: 0.0133 (3/226) <3w: 0.00817 (1e+04/1.22e+06) Model 1 Missing interactions: 0.351 (762/2171) weighted: 0.0771 (4.38e+05/5.68e+06) <3: 0.0133 (3/225) <3w: 0.008 (1.01e+04/1.26e+06) Model 2 Missing interactions: 0.355 (775/2181) weighted: 0.0921 (5.24e+05/5.69e+06) <3: 0.0135 (3/222) <3w: 0.00793 (9.79e+03/1.23e+06) Model 3 Missing interactions: 0.35 (764/2184) weighted: 0.0757 (4.3e+05/5.69e+06) <3: 0.0132 (3/228) <3w: 0.00775 (9.84e+03/1.27e+06) Model 4 Missing interactions: 0.358 (786/2193) weighted: 0.0772 (4.38e+05/5.67e+06) <3: 0.0135 (3/223) <3w: 0.00742 (9.53e+03/1.28e+06) Model 5 Missing interactions: 0.346 (750/2166) weighted: 0.074 (4.19e+05/5.66e+06) <3: 0.0132 (3/227) <3w: 0.00781 (9.79e+03/1.25e+06) Model 6 Missing interactions: 0.344 (732/2126) weighted: 0.0622 (3.52e+05/5.66e+06) <3: 0.0135 (3/222) <3w: 0.00809 (1.02e+04/1.26e+06) Model 7 Missing interactions: 0.364 (800/2196) weighted: 0.0692 (3.97e+05/5.74e+06) <3: 0.0135 (3/222) <3w: 0.00757 (9.71e+03/1.28e+06) Model 8 Missing interactions: 0.354 (769/2171) weighted: 0.0763 (4.36e+05/5.71e+06) <3: 0.0133 (3/225) <3w: 0.00769 (9.87e+03/1.28e+06) Model 9 Missing interactions: 0.355 (767/2159) weighted: 0.0774 (4.4e+05/5.68e+06) <3: 0.0135 (3/223) <3w: 0.00792 (1e+04/1.27e+06) Model 10 Missing interactions: 0.362 (792/2190) weighted: 0.0749 (4.24e+05/5.67e+06) <3: 0.0134 (3/224) <3w: 0.00768 (9.7e+03/1.26e+06) Model 11 Missing interactions: 0.358 (788/2200) weighted: 0.0817 (4.91e+05/6.01e+06) <3: 0.0132 (3/228) <3w: 0.00745 (9.31e+03/1.25e+06) Model 12 Missing interactions: 0.349 (748/2144) weighted: 0.0812 (4.68e+05/5.76e+06) <3: 0.0135 (3/222) <3w: 0.00814 (1.02e+04/1.25e+06) Model 13 Missing interactions: 0.343 (734/2141) weighted: 0.072 (4.02e+05/5.58e+06) <3: 0.0137 (3/219) <3w: 0.00814 (1.03e+04/1.26e+06) Model 14 Missing interactions: 0.345 (736/2135) weighted: 0.0849 (4.87e+05/5.74e+06) <3: 0.0133 (3/225) <3w: 0.00793 (9.98e+03/1.26e+06) Model 15 Missing interactions: 0.348 (755/2170) weighted: 0.0815 (4.62e+05/5.67e+06) <3: 0.0135 (3/223) <3w: 0.00747 (9.43e+03/1.26e+06) Model 16 Missing interactions: 0.345 (742/2150) weighted: 0.072 (4.08e+05/5.66e+06) <3: 0.0133 (3/226) <3w: 0.00827 (1.04e+04/1.26e+06) Model 17 Missing interactions: 0.352 (757/2150) weighted: 0.0851 (4.96e+05/5.82e+06) <3: 0.0132 (3/227) <3w: 0.00734 (9.59e+03/1.31e+06) Model 18 Missing interactions: 0.364 (790/2171) weighted: 0.0805 (4.51e+05/5.6e+06) <3: 0.0132 (3/228) <3w: 0.00841 (1.08e+04/1.28e+06) Model 19 Missing interactions: 0.354 (764/2160) weighted: 0.0678 (3.77e+05/5.56e+06) <3: 0.0134 (3/224) <3w: 0.00772 (9.82e+03/1.27e+06) Model 20 Missing interactions: 0.342 (731/2138) weighted: 0.074 (4.21e+05/5.69e+06) <3: 0.0134 (3/224) <3w: 0.00753 (9.69e+03/1.29e+06) Model ave Recall: 0.956 Precision: all: 0.664 allw: 0.948 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.784 F-measure:(Recall,PrecisionW) 0.952 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 1 Recall: 0.956 Precision: all: 0.649 allw: 0.923 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.773 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 2 Recall: 0.957 Precision: all: 0.645 allw: 0.908 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 3 Recall: 0.957 Precision: all: 0.65 allw: 0.924 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.774 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 4 Recall: 0.956 Precision: all: 0.642 allw: 0.923 <3: 0.987 <3w: 0.993 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 5 Recall: 0.96 Precision: all: 0.654 allw: 0.926 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.778 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 6 Recall: 0.952 Precision: all: 0.656 allw: 0.938 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 7 Recall: 0.956 Precision: all: 0.636 allw: 0.931 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 8 Recall: 0.953 Precision: all: 0.646 allw: 0.924 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 9 Recall: 0.951 Precision: all: 0.645 allw: 0.923 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.769 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 10 Recall: 0.954 Precision: all: 0.638 allw: 0.925 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.765 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 11 Recall: 0.96 Precision: all: 0.642 allw: 0.918 <3: 0.987 <3w: 0.993 F-measure:(Recall,Precision) 0.769 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 12 Recall: 0.958 Precision: all: 0.651 allw: 0.919 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.775 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 13 Recall: 0.958 Precision: all: 0.657 allw: 0.928 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 14 Recall: 0.96 Precision: all: 0.655 allw: 0.915 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 15 Recall: 0.956 Precision: all: 0.652 allw: 0.919 <3: 0.987 <3w: 0.993 F-measure:(Recall,Precision) 0.775 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 16 Recall: 0.956 Precision: all: 0.655 allw: 0.928 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 17 Recall: 0.956 Precision: all: 0.648 allw: 0.915 <3: 0.987 <3w: 0.993 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 18 Recall: 0.954 Precision: all: 0.636 allw: 0.92 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.763 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 19 Recall: 0.952 Precision: all: 0.646 allw: 0.932 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 20 Recall: 0.957 Precision: all: 0.658 allw: 0.926 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 For freely-rotating-chain model: Model ave Inconsistent score: 0.329(498/1512) Model ave Missing interactions: 0.184 (187/1017) weighted: 0.0815 (4.84e+04/5.94e+05) <3: 0.0243 (5/206) <3w: 0.0443 (1.48e+04/3.35e+05) Recall: 0.671 Precision: all: 0.816 allw: 0.919 F-measure:(RecallFree,PrecisionFree) 0.736 F-measure:(ReallFree,PrecisionFreeW) 0.775 # Summary for c_aro.peaks Total simulated peaks: 15 Number of peaks NOT matched in the Peak List: 1 M score = 0.067 Average shift in HX: 0.0012 Average ab-shift in HX: 0.0028(Assignment used: 7) Average shift in X: 0.0076 Average ab-shift in X: 0.029(Assignment used: 7) Average shift in HX2: -0.0028 Average ab-shift in HX2: 0.0057(Assignment used: 12) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.0703(13/185) Model 1 Inconsistent score: 0.0757(14/185) Model 2 Inconsistent score: 0.0649(12/185) Model 3 Inconsistent score: 0.0811(15/185) Model 4 Inconsistent score: 0.0703(13/185) Model 5 Inconsistent score: 0.0703(13/185) Model 6 Inconsistent score: 0.0703(13/185) Model 7 Inconsistent score: 0.0703(13/185) Model 8 Inconsistent score: 0.0703(13/185) Model 9 Inconsistent score: 0.0757(14/185) Model 10 Inconsistent score: 0.0649(12/185) Model 11 Inconsistent score: 0.0649(12/185) Model 12 Inconsistent score: 0.0649(12/185) Model 13 Inconsistent score: 0.0703(13/185) Model 14 Inconsistent score: 0.0649(12/185) Model 15 Inconsistent score: 0.0703(13/185) Model 16 Inconsistent score: 0.0703(13/185) Model 17 Inconsistent score: 0.0649(12/185) Model 18 Inconsistent score: 0.0703(13/185) Model 19 Inconsistent score: 0.0703(13/185) Model 20 Inconsistent score: 0.0703(13/185) Model ave Missing interactions: 0.525 (218/415) weighted: 0.209 (8.63e+04/4.12e+05) <3: 0.12 (3/25) <3w: 0.00462 (319/6.9e+04) Model 1 Missing interactions: 0.553 (245/443) weighted: 0.219 (1.33e+05/6.08e+05) <3: 0.12 (3/25) <3w: 0.00446 (316/7.09e+04) Model 2 Missing interactions: 0.547 (248/453) weighted: 0.292 (2.13e+05/7.31e+05) <3: 0.12 (3/25) <3w: 0.00456 (317/6.94e+04) Model 3 Missing interactions: 0.523 (216/413) weighted: 0.229 (1.47e+05/6.4e+05) <3: 0.12 (3/25) <3w: 0.00471 (324/6.88e+04) Model 4 Missing interactions: 0.526 (226/430) weighted: 0.216 (1.42e+05/6.59e+05) <3: 0.12 (3/25) <3w: 0.00457 (316/6.91e+04) Model 5 Missing interactions: 0.534 (229/429) weighted: 0.268 (1.7e+05/6.36e+05) <3: 0.12 (3/25) <3w: 0.00459 (316/6.87e+04) Model 6 Missing interactions: 0.53 (231/436) weighted: 0.187 (1.18e+05/6.31e+05) <3: 0.12 (3/25) <3w: 0.00457 (317/6.94e+04) Model 7 Missing interactions: 0.549 (240/437) weighted: 0.303 (1.87e+05/6.16e+05) <3: 0.12 (3/25) <3w: 0.00436 (317/7.26e+04) Model 8 Missing interactions: 0.547 (240/439) weighted: 0.25 (1.65e+05/6.6e+05) <3: 0.12 (3/25) <3w: 0.0046 (318/6.91e+04) Model 9 Missing interactions: 0.547 (237/433) weighted: 0.277 (1.64e+05/5.92e+05) <3: 0.12 (3/25) <3w: 0.00465 (320/6.88e+04) Model 10 Missing interactions: 0.543 (246/453) weighted: 0.307 (1.98e+05/6.45e+05) <3: 0.115 (3/26) <3w: 0.00459 (315/6.86e+04) Model 11 Missing interactions: 0.555 (251/452) weighted: 0.271 (1.63e+05/6.01e+05) <3: 0.12 (3/25) <3w: 0.00465 (319/6.87e+04) Model 12 Missing interactions: 0.545 (242/444) weighted: 0.247 (1.6e+05/6.48e+05) <3: 0.12 (3/25) <3w: 0.00461 (317/6.86e+04) Model 13 Missing interactions: 0.54 (227/420) weighted: 0.323 (2.07e+05/6.41e+05) <3: 0.12 (3/25) <3w: 0.00461 (317/6.89e+04) Model 14 Missing interactions: 0.549 (248/452) weighted: 0.288 (1.92e+05/6.68e+05) <3: 0.12 (3/25) <3w: 0.00463 (317/6.85e+04) Model 15 Missing interactions: 0.538 (240/446) weighted: 0.271 (1.71e+05/6.33e+05) <3: 0.12 (3/25) <3w: 0.00454 (316/6.94e+04) Model 16 Missing interactions: 0.538 (232/431) weighted: 0.316 (1.94e+05/6.13e+05) <3: 0.12 (3/25) <3w: 0.00463 (317/6.84e+04) Model 17 Missing interactions: 0.536 (229/427) weighted: 0.375 (2.36e+05/6.3e+05) <3: 0.12 (3/25) <3w: 0.00446 (317/7.09e+04) Model 18 Missing interactions: 0.529 (227/429) weighted: 0.211 (1.22e+05/5.77e+05) <3: 0.12 (3/25) <3w: 0.00454 (317/6.98e+04) Model 19 Missing interactions: 0.55 (240/436) weighted: 0.294 (1.67e+05/5.67e+05) <3: 0.12 (3/25) <3w: 0.00455 (317/6.97e+04) Model 20 Missing interactions: 0.526 (224/426) weighted: 0.204 (1.26e+05/6.17e+05) <3: 0.125 (3/24) <3w: 0.00465 (320/6.88e+04) Model ave Recall: 0.93 Precision: all: 0.475 allw: 0.791 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.855 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.924 Precision: all: 0.447 allw: 0.781 <3: 0.88 <3w: 0.996 F-measure:(Recall,Precision) 0.603 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 2 Recall: 0.935 Precision: all: 0.453 allw: 0.708 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.61 F-measure:(Recall,PrecisionW) 0.806 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 3 Recall: 0.919 Precision: all: 0.477 allw: 0.771 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.838 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 4 Recall: 0.93 Precision: all: 0.474 allw: 0.784 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 5 Recall: 0.93 Precision: all: 0.466 allw: 0.732 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.621 F-measure:(Recall,PrecisionW) 0.819 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 6 Recall: 0.93 Precision: all: 0.47 allw: 0.813 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.625 F-measure:(Recall,PrecisionW) 0.867 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 7 Recall: 0.93 Precision: all: 0.451 allw: 0.697 <3: 0.88 <3w: 0.996 F-measure:(Recall,Precision) 0.607 F-measure:(Recall,PrecisionW) 0.797 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 8 Recall: 0.93 Precision: all: 0.453 allw: 0.75 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.609 F-measure:(Recall,PrecisionW) 0.83 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 9 Recall: 0.924 Precision: all: 0.453 allw: 0.723 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.608 F-measure:(Recall,PrecisionW) 0.811 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 10 Recall: 0.935 Precision: all: 0.457 allw: 0.693 <3: 0.885 <3w: 0.995 F-measure:(Recall,Precision) 0.614 F-measure:(Recall,PrecisionW) 0.796 F-measure:(0,PrecisionIdeal) 0.939 F-measure:(0,PrecisionIdealW) 0.998 Model 11 Recall: 0.935 Precision: all: 0.445 allw: 0.729 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.603 F-measure:(Recall,PrecisionW) 0.82 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 12 Recall: 0.935 Precision: all: 0.455 allw: 0.753 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.612 F-measure:(Recall,PrecisionW) 0.834 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 13 Recall: 0.93 Precision: all: 0.46 allw: 0.677 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.615 F-measure:(Recall,PrecisionW) 0.783 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 14 Recall: 0.935 Precision: all: 0.451 allw: 0.712 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.609 F-measure:(Recall,PrecisionW) 0.808 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 15 Recall: 0.93 Precision: all: 0.462 allw: 0.729 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.617 F-measure:(Recall,PrecisionW) 0.817 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 16 Recall: 0.93 Precision: all: 0.462 allw: 0.684 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.617 F-measure:(Recall,PrecisionW) 0.788 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 17 Recall: 0.935 Precision: all: 0.464 allw: 0.625 <3: 0.88 <3w: 0.996 F-measure:(Recall,Precision) 0.62 F-measure:(Recall,PrecisionW) 0.75 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 18 Recall: 0.93 Precision: all: 0.471 allw: 0.789 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.625 F-measure:(Recall,PrecisionW) 0.854 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 19 Recall: 0.93 Precision: all: 0.45 allw: 0.706 <3: 0.88 <3w: 0.995 F-measure:(Recall,Precision) 0.606 F-measure:(Recall,PrecisionW) 0.803 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 20 Recall: 0.93 Precision: all: 0.474 allw: 0.796 <3: 0.875 <3w: 0.995 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.858 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.998 For freely-rotating-chain model: Model ave Inconsistent score: 0.595(110/185) Model ave Missing interactions: 0.44 (37/84) weighted: 0.454 (1.61e+04/3.55e+04) <3: 0.379 (11/29) <3w: 0.488 (1.36e+04/2.79e+04) Recall: 0.405 Precision: all: 0.56 allw: 0.546 F-measure:(RecallFree,PrecisionFree) 0.47 F-measure:(ReallFree,PrecisionFreeW) 0.465 # Summary for c_ali.peaks Total simulated peaks: 1036 Number of peaks NOT matched in the Peak List: 87 M score = 0.084 Average shift in HX: 0.0014 Average ab-shift in HX: 0.0027(Assignment used: 495) Average shift in X: 0.0021 Average ab-shift in X: 0.019(Assignment used: 377) Average shift in HX2: -0.00071 Average ab-shift in HX2: 0.0041(Assignment used: 584) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.0187(81/4336) Model 1 Inconsistent score: 0.0198(86/4336) Model 2 Inconsistent score: 0.0208(90/4336) Model 3 Inconsistent score: 0.0196(85/4336) Model 4 Inconsistent score: 0.0194(84/4336) Model 5 Inconsistent score: 0.0194(84/4336) Model 6 Inconsistent score: 0.0208(90/4336) Model 7 Inconsistent score: 0.0203(88/4336) Model 8 Inconsistent score: 0.021(91/4336) Model 9 Inconsistent score: 0.0191(83/4336) Model 10 Inconsistent score: 0.0185(80/4336) Model 11 Inconsistent score: 0.0185(80/4336) Model 12 Inconsistent score: 0.0182(79/4336) Model 13 Inconsistent score: 0.0201(87/4336) Model 14 Inconsistent score: 0.018(78/4336) Model 15 Inconsistent score: 0.0198(86/4336) Model 16 Inconsistent score: 0.0208(90/4336) Model 17 Inconsistent score: 0.0178(77/4336) Model 18 Inconsistent score: 0.0203(88/4336) Model 19 Inconsistent score: 0.0208(90/4336) Model 20 Inconsistent score: 0.0198(86/4336) Model ave Missing interactions: 0.462 (2.95e+03/6385) weighted: 0.135 (2.03e+06/1.51e+07) <3: 0.0882 (72/816) <3w: 0.0441 (3.32e+05/7.53e+06) Model 1 Missing interactions: 0.481 (3.27e+03/6789) weighted: 0.176 (3.32e+06/1.89e+07) <3: 0.0883 (72/815) <3w: 0.0433 (3.33e+05/7.7e+06) Model 2 Missing interactions: 0.483 (3.29e+03/6812) weighted: 0.181 (3.36e+06/1.85e+07) <3: 0.0887 (72/812) <3w: 0.0452 (3.46e+05/7.67e+06) Model 3 Missing interactions: 0.485 (3.31e+03/6817) weighted: 0.18 (3.34e+06/1.86e+07) <3: 0.088 (72/818) <3w: 0.0441 (3.39e+05/7.69e+06) Model 4 Missing interactions: 0.486 (3.31e+03/6811) weighted: 0.185 (3.51e+06/1.89e+07) <3: 0.0886 (72/813) <3w: 0.0445 (3.41e+05/7.66e+06) Model 5 Missing interactions: 0.485 (3.3e+03/6806) weighted: 0.175 (3.31e+06/1.89e+07) <3: 0.0881 (72/817) <3w: 0.0431 (3.27e+05/7.58e+06) Model 6 Missing interactions: 0.484 (3.25e+03/6719) weighted: 0.186 (3.55e+06/1.9e+07) <3: 0.0887 (72/812) <3w: 0.0438 (3.34e+05/7.62e+06) Model 7 Missing interactions: 0.484 (3.28e+03/6784) weighted: 0.176 (3.32e+06/1.89e+07) <3: 0.0887 (72/812) <3w: 0.0433 (3.32e+05/7.68e+06) Model 8 Missing interactions: 0.485 (3.28e+03/6752) weighted: 0.186 (3.43e+06/1.84e+07) <3: 0.0883 (72/815) <3w: 0.0446 (3.42e+05/7.66e+06) Model 9 Missing interactions: 0.479 (3.26e+03/6808) weighted: 0.184 (3.52e+06/1.91e+07) <3: 0.0886 (72/813) <3w: 0.0427 (3.25e+05/7.6e+06) Model 10 Missing interactions: 0.481 (3.23e+03/6715) weighted: 0.183 (3.42e+06/1.87e+07) <3: 0.0886 (72/813) <3w: 0.0446 (3.41e+05/7.64e+06) Model 11 Missing interactions: 0.481 (3.24e+03/6743) weighted: 0.184 (3.5e+06/1.9e+07) <3: 0.088 (72/818) <3w: 0.0425 (3.22e+05/7.58e+06) Model 12 Missing interactions: 0.479 (3.18e+03/6641) weighted: 0.178 (3.36e+06/1.88e+07) <3: 0.0887 (72/812) <3w: 0.0441 (3.36e+05/7.62e+06) Model 13 Missing interactions: 0.479 (3.14e+03/6563) weighted: 0.175 (3.29e+06/1.88e+07) <3: 0.089 (72/809) <3w: 0.0434 (3.33e+05/7.68e+06) Model 14 Missing interactions: 0.478 (3.18e+03/6667) weighted: 0.181 (3.41e+06/1.88e+07) <3: 0.0883 (72/815) <3w: 0.0423 (3.23e+05/7.64e+06) Model 15 Missing interactions: 0.482 (3.26e+03/6753) weighted: 0.186 (3.5e+06/1.89e+07) <3: 0.0886 (72/813) <3w: 0.0466 (3.6e+05/7.72e+06) Model 16 Missing interactions: 0.478 (3.19e+03/6668) weighted: 0.17 (3.16e+06/1.86e+07) <3: 0.0882 (72/816) <3w: 0.0419 (3.19e+05/7.61e+06) Model 17 Missing interactions: 0.481 (3.21e+03/6676) weighted: 0.18 (3.42e+06/1.9e+07) <3: 0.0881 (72/817) <3w: 0.0425 (3.27e+05/7.7e+06) Model 18 Missing interactions: 0.482 (3.21e+03/6674) weighted: 0.187 (3.5e+06/1.87e+07) <3: 0.088 (72/818) <3w: 0.0475 (3.63e+05/7.65e+06) Model 19 Missing interactions: 0.482 (3.23e+03/6706) weighted: 0.175 (3.29e+06/1.87e+07) <3: 0.0885 (72/814) <3w: 0.0426 (3.26e+05/7.65e+06) Model 20 Missing interactions: 0.475 (3.15e+03/6638) weighted: 0.174 (3.23e+06/1.85e+07) <3: 0.0883 (72/815) <3w: 0.0424 (3.27e+05/7.71e+06) Model ave Recall: 0.981 Precision: all: 0.538 allw: 0.865 <3: 0.912 <3w: 0.956 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 1 Recall: 0.98 Precision: all: 0.519 allw: 0.824 <3: 0.912 <3w: 0.957 F-measure:(Recall,Precision) 0.678 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 2 Recall: 0.979 Precision: all: 0.517 allw: 0.819 <3: 0.911 <3w: 0.955 F-measure:(Recall,Precision) 0.677 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 3 Recall: 0.98 Precision: all: 0.515 allw: 0.82 <3: 0.912 <3w: 0.956 F-measure:(Recall,Precision) 0.675 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 4 Recall: 0.981 Precision: all: 0.514 allw: 0.815 <3: 0.911 <3w: 0.956 F-measure:(Recall,Precision) 0.675 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 5 Recall: 0.981 Precision: all: 0.515 allw: 0.825 <3: 0.912 <3w: 0.957 F-measure:(Recall,Precision) 0.676 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 6 Recall: 0.979 Precision: all: 0.516 allw: 0.814 <3: 0.911 <3w: 0.956 F-measure:(Recall,Precision) 0.676 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 7 Recall: 0.98 Precision: all: 0.516 allw: 0.824 <3: 0.911 <3w: 0.957 F-measure:(Recall,Precision) 0.676 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 8 Recall: 0.979 Precision: all: 0.515 allw: 0.814 <3: 0.912 <3w: 0.955 F-measure:(Recall,Precision) 0.675 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 9 Recall: 0.981 Precision: all: 0.521 allw: 0.816 <3: 0.911 <3w: 0.957 F-measure:(Recall,Precision) 0.68 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 10 Recall: 0.982 Precision: all: 0.519 allw: 0.817 <3: 0.911 <3w: 0.955 F-measure:(Recall,Precision) 0.679 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 11 Recall: 0.982 Precision: all: 0.519 allw: 0.816 <3: 0.912 <3w: 0.957 F-measure:(Recall,Precision) 0.679 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 12 Recall: 0.982 Precision: all: 0.521 allw: 0.822 <3: 0.911 <3w: 0.956 F-measure:(Recall,Precision) 0.681 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 13 Recall: 0.98 Precision: all: 0.521 allw: 0.825 <3: 0.911 <3w: 0.957 F-measure:(Recall,Precision) 0.681 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.953 F-measure:(0,PrecisionIdealW) 0.978 Model 14 Recall: 0.982 Precision: all: 0.522 allw: 0.819 <3: 0.912 <3w: 0.958 F-measure:(Recall,Precision) 0.682 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 15 Recall: 0.98 Precision: all: 0.518 allw: 0.814 <3: 0.911 <3w: 0.953 F-measure:(Recall,Precision) 0.678 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.976 Model 16 Recall: 0.979 Precision: all: 0.522 allw: 0.83 <3: 0.912 <3w: 0.958 F-measure:(Recall,Precision) 0.681 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.979 Model 17 Recall: 0.982 Precision: all: 0.519 allw: 0.82 <3: 0.912 <3w: 0.958 F-measure:(Recall,Precision) 0.68 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 18 Recall: 0.98 Precision: all: 0.518 allw: 0.813 <3: 0.912 <3w: 0.953 F-measure:(Recall,Precision) 0.678 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.976 Model 19 Recall: 0.979 Precision: all: 0.518 allw: 0.825 <3: 0.912 <3w: 0.957 F-measure:(Recall,Precision) 0.677 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 20 Recall: 0.98 Precision: all: 0.525 allw: 0.826 <3: 0.912 <3w: 0.958 F-measure:(Recall,Precision) 0.684 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 For freely-rotating-chain model: Model ave Inconsistent score: 0.303(1315/4336) Model ave Missing interactions: 0.333 (819/2456) weighted: 0.136 (2.51e+05/1.85e+06) <3: 0.0905 (72/796) <3w: 0.0814 (1.07e+05/1.31e+06) Recall: 0.697 Precision: all: 0.667 allw: 0.864 F-measure:(RecallFree,PrecisionFree) 0.681 F-measure:(ReallFree,PrecisionFreeW) 0.771 Final M-score 0.0764 95/1.24e+03 Model ave Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.883 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.926 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.749 Model 1 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.845 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.644 Model 2 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.836 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.96 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.623 Model 3 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.903 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.642 Model 4 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.633 Model 5 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.845 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.905 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.648 Model 6 Final Recall-score for input query structures: 0.971 Final Precision-score for input query structures: 0.841 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.902 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.637 Model 7 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.845 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.644 Model 8 Final Recall-score for input query structures: 0.971 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.623 Model 9 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.837 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.963 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.625 Model 10 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.633 Model 11 Final Recall-score for input query structures: 0.975 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.963 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.63 Model 12 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.842 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.903 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.642 Model 13 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.844 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.644 Model 14 Final Recall-score for input query structures: 0.975 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.963 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.63 Model 15 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.836 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.959 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.979 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.626 Model 16 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.849 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.963 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.906 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.653 Model 17 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.837 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.963 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.625 Model 18 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.836 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.958 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.979 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.626 Model 19 Final Recall-score for input query structures: 0.971 Final Precision-score for input query structures: 0.846 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.963 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.644 Model 20 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.848 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.963 Final Recall-score for freely-rotating-chain model: 0.681 Final Precision-score for freely-rotating-chain model: 0.873 Summary: F-score of input query structures: 0.906 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.653 Statistics: =========== NOESY_Assign: User CPU Time: 97.8 sec. Syst CPU Time: 1.47 sec. Other Processes: User CPU Time: 1.08 sec. Syst CPU Time: 0.07 sec. Total Elapsed Time: 100 sec.