# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 13:53:59 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/OR8C_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q OR8C_R3Cons_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: 0.0417(63/1512) Model 1 Inconsistent score: 0.0423(64/1512) Model 2 Inconsistent score: 0.0443(67/1512) Model 3 Inconsistent score: 0.0437(66/1512) Model 4 Inconsistent score: 0.0476(72/1512) Model 5 Inconsistent score: 0.043(65/1512) Model 6 Inconsistent score: 0.0476(72/1512) Model 7 Inconsistent score: 0.0456(69/1512) Model 8 Inconsistent score: 0.045(68/1512) Model 9 Inconsistent score: 0.0463(70/1512) Model 10 Inconsistent score: 0.0463(70/1512) Model 11 Inconsistent score: 0.043(65/1512) Model 12 Inconsistent score: 0.047(71/1512) Model 13 Inconsistent score: 0.0423(64/1512) Model 14 Inconsistent score: 0.0463(70/1512) Model 15 Inconsistent score: 0.0483(73/1512) Model 16 Inconsistent score: 0.0423(64/1512) Model 17 Inconsistent score: 0.0443(67/1512) Model 18 Inconsistent score: 0.043(65/1512) Model 19 Inconsistent score: 0.0423(64/1512) Model 20 Inconsistent score: 0.0437(66/1512) Model ave Missing interactions: 0.33 (678/2053) weighted: 0.0479 (2.4e+05/5.01e+06) <3: 0.0135 (3/222) <3w: 0.0083 (1.01e+04/1.21e+06) Model 1 Missing interactions: 0.348 (746/2146) weighted: 0.0658 (3.63e+05/5.52e+06) <3: 0.0136 (3/221) <3w: 0.00836 (1.03e+04/1.23e+06) Model 2 Missing interactions: 0.348 (739/2121) weighted: 0.0608 (3.35e+05/5.51e+06) <3: 0.0135 (3/222) <3w: 0.00849 (1.06e+04/1.24e+06) Model 3 Missing interactions: 0.338 (716/2119) weighted: 0.0581 (3.19e+05/5.5e+06) <3: 0.0135 (3/222) <3w: 0.00777 (9.68e+03/1.25e+06) Model 4 Missing interactions: 0.35 (747/2133) weighted: 0.0558 (3.01e+05/5.4e+06) <3: 0.0138 (3/218) <3w: 0.00754 (9.36e+03/1.24e+06) Model 5 Missing interactions: 0.343 (728/2122) weighted: 0.0632 (3.43e+05/5.44e+06) <3: 0.0133 (3/225) <3w: 0.00771 (9.56e+03/1.24e+06) Model 6 Missing interactions: 0.348 (741/2132) weighted: 0.0727 (4.01e+05/5.51e+06) <3: 0.0139 (3/216) <3w: 0.00783 (9.49e+03/1.21e+06) Model 7 Missing interactions: 0.355 (771/2173) weighted: 0.0789 (4.33e+05/5.49e+06) <3: 0.0133 (3/226) <3w: 0.00789 (9.68e+03/1.23e+06) Model 8 Missing interactions: 0.346 (742/2146) weighted: 0.059 (3.23e+05/5.47e+06) <3: 0.0137 (3/219) <3w: 0.00783 (9.75e+03/1.24e+06) Model 9 Missing interactions: 0.342 (727/2127) weighted: 0.0684 (3.74e+05/5.46e+06) <3: 0.0135 (3/223) <3w: 0.00819 (9.96e+03/1.22e+06) Model 10 Missing interactions: 0.348 (743/2135) weighted: 0.0639 (3.43e+05/5.37e+06) <3: 0.0137 (3/219) <3w: 0.00756 (9.36e+03/1.24e+06) Model 11 Missing interactions: 0.348 (755/2167) weighted: 0.0705 (4e+05/5.68e+06) <3: 0.0133 (3/225) <3w: 0.00767 (9.49e+03/1.24e+06) Model 12 Missing interactions: 0.351 (751/2141) weighted: 0.0672 (3.68e+05/5.48e+06) <3: 0.0138 (3/217) <3w: 0.00808 (9.89e+03/1.22e+06) Model 13 Missing interactions: 0.352 (753/2142) weighted: 0.0596 (3.32e+05/5.57e+06) <3: 0.0133 (3/225) <3w: 0.00739 (9.36e+03/1.27e+06) Model 14 Missing interactions: 0.345 (737/2137) weighted: 0.0693 (3.73e+05/5.38e+06) <3: 0.0135 (3/223) <3w: 0.00844 (1.04e+04/1.23e+06) Model 15 Missing interactions: 0.349 (748/2144) weighted: 0.0568 (3.05e+05/5.37e+06) <3: 0.0133 (3/225) <3w: 0.00884 (1.09e+04/1.24e+06) Model 16 Missing interactions: 0.345 (741/2147) weighted: 0.0594 (3.22e+05/5.42e+06) <3: 0.0135 (3/223) <3w: 0.00759 (9.3e+03/1.23e+06) Model 17 Missing interactions: 0.352 (763/2169) weighted: 0.0592 (3.26e+05/5.51e+06) <3: 0.0132 (3/228) <3w: 0.00802 (9.83e+03/1.23e+06) Model 18 Missing interactions: 0.345 (747/2166) weighted: 0.0682 (3.77e+05/5.52e+06) <3: 0.0135 (3/222) <3w: 0.00752 (9.23e+03/1.23e+06) Model 19 Missing interactions: 0.343 (731/2134) weighted: 0.0646 (3.52e+05/5.44e+06) <3: 0.0135 (3/222) <3w: 0.00783 (9.62e+03/1.23e+06) Model 20 Missing interactions: 0.353 (766/2169) weighted: 0.0715 (4.08e+05/5.71e+06) <3: 0.0133 (3/226) <3w: 0.00757 (9.23e+03/1.22e+06) Model ave Recall: 0.958 Precision: all: 0.67 allw: 0.952 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.788 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 1 Recall: 0.958 Precision: all: 0.652 allw: 0.934 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.776 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 2 Recall: 0.956 Precision: all: 0.652 allw: 0.939 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.775 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 3 Recall: 0.956 Precision: all: 0.662 allw: 0.942 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 4 Recall: 0.952 Precision: all: 0.65 allw: 0.944 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.773 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 5 Recall: 0.957 Precision: all: 0.657 allw: 0.937 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 6 Recall: 0.952 Precision: all: 0.652 allw: 0.927 <3: 0.986 <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 7 Recall: 0.954 Precision: all: 0.645 allw: 0.921 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 8 Recall: 0.955 Precision: all: 0.654 allw: 0.941 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 9 Recall: 0.954 Precision: all: 0.658 allw: 0.932 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 10 Recall: 0.954 Precision: all: 0.652 allw: 0.936 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.775 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 11 Recall: 0.957 Precision: all: 0.652 allw: 0.93 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.775 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 12 Recall: 0.953 Precision: all: 0.649 allw: 0.933 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 13 Recall: 0.958 Precision: all: 0.648 allw: 0.94 <3: 0.987 <3w: 0.993 F-measure:(Recall,Precision) 0.773 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 14 Recall: 0.954 Precision: all: 0.655 allw: 0.931 <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 15 Recall: 0.952 Precision: all: 0.651 allw: 0.943 <3: 0.987 <3w: 0.991 F-measure:(Recall,Precision) 0.773 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 16 Recall: 0.958 Precision: all: 0.655 allw: 0.941 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.778 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 17 Recall: 0.956 Precision: all: 0.648 allw: 0.941 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 18 Recall: 0.957 Precision: all: 0.655 allw: 0.932 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.778 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 19 Recall: 0.958 Precision: all: 0.657 allw: 0.935 <3: 0.986 <3w: 0.992 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 0.996 Model 20 Recall: 0.956 Precision: all: 0.647 allw: 0.928 <3: 0.987 <3w: 0.992 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.942 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: 0.0757(14/185) Model 1 Inconsistent score: 0.0703(13/185) Model 2 Inconsistent score: 0.0757(14/185) Model 3 Inconsistent score: 0.0649(12/185) Model 4 Inconsistent score: 0.0757(14/185) Model 5 Inconsistent score: 0.0595(11/185) Model 6 Inconsistent score: 0.0703(13/185) Model 7 Inconsistent score: 0.0757(14/185) Model 8 Inconsistent score: 0.0595(11/185) Model 9 Inconsistent score: 0.0595(11/185) Model 10 Inconsistent score: 0.0541(10/185) Model 11 Inconsistent score: 0.0649(12/185) Model 12 Inconsistent score: 0.0703(13/185) 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: 0.0649(12/185) Model 17 Inconsistent score: 0.0649(12/185) Model 18 Inconsistent score: 0.0595(11/185) Model 19 Inconsistent score: 0.0649(12/185) Model 20 Inconsistent score: 0.0541(10/185) Model ave Missing interactions: 0.519 (209/403) weighted: 0.212 (8.51e+04/4.02e+05) <3: 0.12 (3/25) <3w: 0.00449 (311/6.93e+04) Model 1 Missing interactions: 0.538 (231/429) weighted: 0.267 (1.35e+05/5.06e+05) <3: 0.115 (3/26) <3w: 0.00445 (307/6.9e+04) Model 2 Missing interactions: 0.531 (224/422) weighted: 0.241 (1.31e+05/5.43e+05) <3: 0.115 (3/26) <3w: 0.00451 (310/6.86e+04) Model 3 Missing interactions: 0.539 (230/427) weighted: 0.224 (1.22e+05/5.46e+05) <3: 0.0833 (2/24) <3w: 0.00348 (240/6.9e+04) Model 4 Missing interactions: 0.54 (227/420) weighted: 0.254 (1.37e+05/5.39e+05) <3: 0.0909 (2/22) <3w: 0.00343 (239/6.97e+04) Model 5 Missing interactions: 0.544 (237/436) weighted: 0.307 (1.79e+05/5.84e+05) <3: 0.115 (3/26) <3w: 0.00443 (307/6.93e+04) Model 6 Missing interactions: 0.535 (230/430) weighted: 0.263 (1.42e+05/5.37e+05) <3: 0.0833 (2/24) <3w: 0.0034 (239/7.04e+04) Model 7 Missing interactions: 0.55 (241/438) weighted: 0.256 (1.48e+05/5.79e+05) <3: 0.115 (3/26) <3w: 0.00457 (316/6.92e+04) Model 8 Missing interactions: 0.536 (226/422) weighted: 0.246 (1.34e+05/5.44e+05) <3: 0.0833 (2/24) <3w: 0.00346 (241/6.97e+04) Model 9 Missing interactions: 0.542 (240/443) weighted: 0.228 (1.33e+05/5.85e+05) <3: 0.0833 (2/24) <3w: 0.00344 (238/6.94e+04) Model 10 Missing interactions: 0.538 (239/444) weighted: 0.252 (1.38e+05/5.49e+05) <3: 0.0417 (1/24) <3w: 0.00241 (172/7.13e+04) Model 11 Missing interactions: 0.559 (252/451) weighted: 0.265 (1.56e+05/5.87e+05) <3: 0.08 (2/25) <3w: 0.00341 (240/7.03e+04) Model 12 Missing interactions: 0.553 (252/456) weighted: 0.292 (1.65e+05/5.66e+05) <3: 0.0435 (1/23) <3w: 0.00255 (180/7.04e+04) Model 13 Missing interactions: 0.56 (258/461) weighted: 0.294 (1.75e+05/5.95e+05) <3: 0.08 (2/25) <3w: 0.00347 (240/6.91e+04) Model 14 Missing interactions: 0.558 (242/434) weighted: 0.272 (1.6e+05/5.9e+05) <3: 0.0833 (2/24) <3w: 0.00339 (239/7.06e+04) Model 15 Missing interactions: 0.525 (218/415) weighted: 0.218 (1.18e+05/5.39e+05) <3: 0.08 (2/25) <3w: 0.0036 (249/6.93e+04) Model 16 Missing interactions: 0.554 (253/457) weighted: 0.287 (1.69e+05/5.9e+05) <3: 0.0833 (2/24) <3w: 0.00345 (238/6.89e+04) Model 17 Missing interactions: 0.53 (230/434) weighted: 0.224 (1.22e+05/5.44e+05) <3: 0.115 (3/26) <3w: 0.00452 (311/6.89e+04) Model 18 Missing interactions: 0.54 (234/433) weighted: 0.209 (1.15e+05/5.48e+05) <3: 0.08 (2/25) <3w: 0.00344 (241/7.01e+04) Model 19 Missing interactions: 0.516 (211/409) weighted: 0.217 (1.06e+05/4.89e+05) <3: 0.125 (3/24) <3w: 0.0045 (310/6.88e+04) Model 20 Missing interactions: 0.541 (240/444) weighted: 0.25 (1.4e+05/5.61e+05) <3: 0.0833 (2/24) <3w: 0.00342 (239/7e+04) Model ave Recall: 0.924 Precision: all: 0.481 allw: 0.788 <3: 0.88 <3w: 0.996 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 0.936 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.93 Precision: all: 0.462 allw: 0.733 <3: 0.885 <3w: 0.996 F-measure:(Recall,Precision) 0.617 F-measure:(Recall,PrecisionW) 0.82 F-measure:(0,PrecisionIdeal) 0.939 F-measure:(0,PrecisionIdealW) 0.998 Model 2 Recall: 0.924 Precision: all: 0.469 allw: 0.759 <3: 0.885 <3w: 0.995 F-measure:(Recall,Precision) 0.622 F-measure:(Recall,PrecisionW) 0.833 F-measure:(0,PrecisionIdeal) 0.939 F-measure:(0,PrecisionIdealW) 0.998 Model 3 Recall: 0.935 Precision: all: 0.461 allw: 0.776 <3: 0.917 <3w: 0.997 F-measure:(Recall,Precision) 0.618 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 0.957 F-measure:(0,PrecisionIdealW) 0.998 Model 4 Recall: 0.924 Precision: all: 0.46 allw: 0.746 <3: 0.909 <3w: 0.997 F-measure:(Recall,Precision) 0.614 F-measure:(Recall,PrecisionW) 0.826 F-measure:(0,PrecisionIdeal) 0.952 F-measure:(0,PrecisionIdealW) 0.998 Model 5 Recall: 0.941 Precision: all: 0.456 allw: 0.693 <3: 0.885 <3w: 0.996 F-measure:(Recall,Precision) 0.615 F-measure:(Recall,PrecisionW) 0.798 F-measure:(0,PrecisionIdeal) 0.939 F-measure:(0,PrecisionIdealW) 0.998 Model 6 Recall: 0.93 Precision: all: 0.465 allw: 0.737 <3: 0.917 <3w: 0.997 F-measure:(Recall,Precision) 0.62 F-measure:(Recall,PrecisionW) 0.822 F-measure:(0,PrecisionIdeal) 0.957 F-measure:(0,PrecisionIdealW) 0.998 Model 7 Recall: 0.924 Precision: all: 0.45 allw: 0.744 <3: 0.885 <3w: 0.995 F-measure:(Recall,Precision) 0.605 F-measure:(Recall,PrecisionW) 0.824 F-measure:(0,PrecisionIdeal) 0.939 F-measure:(0,PrecisionIdealW) 0.998 Model 8 Recall: 0.941 Precision: all: 0.464 allw: 0.754 <3: 0.917 <3w: 0.997 F-measure:(Recall,Precision) 0.622 F-measure:(Recall,PrecisionW) 0.837 F-measure:(0,PrecisionIdeal) 0.957 F-measure:(0,PrecisionIdealW) 0.998 Model 9 Recall: 0.941 Precision: all: 0.458 allw: 0.772 <3: 0.917 <3w: 0.997 F-measure:(Recall,Precision) 0.616 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 0.957 F-measure:(0,PrecisionIdealW) 0.998 Model 10 Recall: 0.946 Precision: all: 0.462 allw: 0.748 <3: 0.958 <3w: 0.998 F-measure:(Recall,Precision) 0.621 F-measure:(Recall,PrecisionW) 0.835 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.999 Model 11 Recall: 0.935 Precision: all: 0.441 allw: 0.735 <3: 0.92 <3w: 0.997 F-measure:(Recall,Precision) 0.6 F-measure:(Recall,PrecisionW) 0.823 F-measure:(0,PrecisionIdeal) 0.958 F-measure:(0,PrecisionIdealW) 0.998 Model 12 Recall: 0.93 Precision: all: 0.447 allw: 0.708 <3: 0.957 <3w: 0.997 F-measure:(Recall,Precision) 0.604 F-measure:(Recall,PrecisionW) 0.804 F-measure:(0,PrecisionIdeal) 0.978 F-measure:(0,PrecisionIdealW) 0.999 Model 13 Recall: 0.93 Precision: all: 0.44 allw: 0.706 <3: 0.92 <3w: 0.997 F-measure:(Recall,Precision) 0.598 F-measure:(Recall,PrecisionW) 0.802 F-measure:(0,PrecisionIdeal) 0.958 F-measure:(0,PrecisionIdealW) 0.998 Model 14 Recall: 0.935 Precision: all: 0.442 allw: 0.728 <3: 0.917 <3w: 0.997 F-measure:(Recall,Precision) 0.601 F-measure:(Recall,PrecisionW) 0.819 F-measure:(0,PrecisionIdeal) 0.957 F-measure:(0,PrecisionIdealW) 0.998 Model 15 Recall: 0.93 Precision: all: 0.475 allw: 0.782 <3: 0.92 <3w: 0.996 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.849 F-measure:(0,PrecisionIdeal) 0.958 F-measure:(0,PrecisionIdealW) 0.998 Model 16 Recall: 0.935 Precision: all: 0.446 allw: 0.713 <3: 0.917 <3w: 0.997 F-measure:(Recall,Precision) 0.604 F-measure:(Recall,PrecisionW) 0.809 F-measure:(0,PrecisionIdeal) 0.957 F-measure:(0,PrecisionIdealW) 0.998 Model 17 Recall: 0.935 Precision: all: 0.47 allw: 0.776 <3: 0.885 <3w: 0.995 F-measure:(Recall,Precision) 0.626 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 0.939 F-measure:(0,PrecisionIdealW) 0.998 Model 18 Recall: 0.941 Precision: all: 0.46 allw: 0.791 <3: 0.92 <3w: 0.997 F-measure:(Recall,Precision) 0.617 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 0.958 F-measure:(0,PrecisionIdealW) 0.998 Model 19 Recall: 0.935 Precision: all: 0.484 allw: 0.783 <3: 0.875 <3w: 0.996 F-measure:(Recall,Precision) 0.638 F-measure:(Recall,PrecisionW) 0.852 F-measure:(0,PrecisionIdeal) 0.933 F-measure:(0,PrecisionIdealW) 0.998 Model 20 Recall: 0.946 Precision: all: 0.459 allw: 0.75 <3: 0.917 <3w: 0.997 F-measure:(Recall,Precision) 0.619 F-measure:(Recall,PrecisionW) 0.837 F-measure:(0,PrecisionIdeal) 0.957 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: 0.0185(80/4336) Model 1 Inconsistent score: 0.0208(90/4336) Model 2 Inconsistent score: 0.0203(88/4336) Model 3 Inconsistent score: 0.0201(87/4336) Model 4 Inconsistent score: 0.0212(92/4336) Model 5 Inconsistent score: 0.0201(87/4336) Model 6 Inconsistent score: 0.0212(92/4336) Model 7 Inconsistent score: 0.0217(94/4336) Model 8 Inconsistent score: 0.0189(82/4336) Model 9 Inconsistent score: 0.0203(88/4336) Model 10 Inconsistent score: 0.0198(86/4336) Model 11 Inconsistent score: 0.0182(79/4336) Model 12 Inconsistent score: 0.0194(84/4336) Model 13 Inconsistent score: 0.0187(81/4336) Model 14 Inconsistent score: 0.0191(83/4336) Model 15 Inconsistent score: 0.0224(97/4336) Model 16 Inconsistent score: 0.018(78/4336) Model 17 Inconsistent score: 0.0196(85/4336) Model 18 Inconsistent score: 0.0187(81/4336) Model 19 Inconsistent score: 0.0189(82/4336) Model 20 Inconsistent score: 0.0187(81/4336) Model ave Missing interactions: 0.46 (2.89e+03/6285) weighted: 0.135 (2.12e+06/1.57e+07) <3: 0.0887 (72/812) <3w: 0.0447 (3.45e+05/7.72e+06) Model 1 Missing interactions: 0.478 (3.12e+03/6527) weighted: 0.161 (2.92e+06/1.82e+07) <3: 0.0889 (72/810) <3w: 0.043 (3.37e+05/7.84e+06) Model 2 Missing interactions: 0.475 (3.15e+03/6631) weighted: 0.162 (2.92e+06/1.8e+07) <3: 0.0888 (72/811) <3w: 0.0439 (3.4e+05/7.74e+06) Model 3 Missing interactions: 0.475 (3.12e+03/6564) weighted: 0.165 (3.02e+06/1.83e+07) <3: 0.0886 (72/813) <3w: 0.0432 (3.38e+05/7.82e+06) Model 4 Missing interactions: 0.48 (3.21e+03/6688) weighted: 0.165 (3.02e+06/1.83e+07) <3: 0.0888 (72/811) <3w: 0.0446 (3.51e+05/7.87e+06) Model 5 Missing interactions: 0.474 (3.1e+03/6543) weighted: 0.164 (2.97e+06/1.82e+07) <3: 0.0885 (72/814) <3w: 0.0432 (3.41e+05/7.88e+06) Model 6 Missing interactions: 0.479 (3.15e+03/6576) weighted: 0.172 (3.16e+06/1.84e+07) <3: 0.0892 (72/807) <3w: 0.044 (3.49e+05/7.93e+06) Model 7 Missing interactions: 0.482 (3.25e+03/6740) weighted: 0.169 (3.11e+06/1.84e+07) <3: 0.0883 (72/815) <3w: 0.0451 (3.57e+05/7.92e+06) Model 8 Missing interactions: 0.478 (3.16e+03/6613) weighted: 0.164 (2.97e+06/1.81e+07) <3: 0.0889 (72/810) <3w: 0.0437 (3.41e+05/7.81e+06) Model 9 Missing interactions: 0.475 (3.12e+03/6553) weighted: 0.163 (2.95e+06/1.81e+07) <3: 0.0885 (72/814) <3w: 0.0446 (3.5e+05/7.84e+06) Model 10 Missing interactions: 0.479 (3.13e+03/6536) weighted: 0.161 (2.88e+06/1.79e+07) <3: 0.0889 (72/810) <3w: 0.0451 (3.58e+05/7.94e+06) Model 11 Missing interactions: 0.482 (3.24e+03/6736) weighted: 0.174 (3.25e+06/1.86e+07) <3: 0.0883 (72/815) <3w: 0.0447 (3.5e+05/7.84e+06) Model 12 Missing interactions: 0.476 (3.12e+03/6544) weighted: 0.166 (2.98e+06/1.8e+07) <3: 0.089 (72/809) <3w: 0.0442 (3.49e+05/7.89e+06) Model 13 Missing interactions: 0.478 (3.15e+03/6591) weighted: 0.162 (2.96e+06/1.82e+07) <3: 0.0883 (72/815) <3w: 0.0423 (3.32e+05/7.84e+06) Model 14 Missing interactions: 0.482 (3.27e+03/6781) weighted: 0.174 (3.2e+06/1.84e+07) <3: 0.0885 (72/814) <3w: 0.0428 (3.37e+05/7.87e+06) Model 15 Missing interactions: 0.475 (3.1e+03/6524) weighted: 0.168 (3.03e+06/1.8e+07) <3: 0.0883 (72/815) <3w: 0.0466 (3.63e+05/7.8e+06) Model 16 Missing interactions: 0.482 (3.26e+03/6763) weighted: 0.164 (2.99e+06/1.82e+07) <3: 0.0885 (72/814) <3w: 0.0428 (3.34e+05/7.8e+06) Model 17 Missing interactions: 0.48 (3.25e+03/6771) weighted: 0.167 (3.06e+06/1.83e+07) <3: 0.0881 (72/817) <3w: 0.0438 (3.47e+05/7.93e+06) Model 18 Missing interactions: 0.484 (3.27e+03/6770) weighted: 0.178 (3.34e+06/1.88e+07) <3: 0.0887 (72/812) <3w: 0.0456 (3.58e+05/7.85e+06) Model 19 Missing interactions: 0.47 (3.07e+03/6519) weighted: 0.164 (2.98e+06/1.82e+07) <3: 0.0886 (72/813) <3w: 0.0444 (3.48e+05/7.84e+06) Model 20 Missing interactions: 0.478 (3.18e+03/6649) weighted: 0.163 (2.96e+06/1.82e+07) <3: 0.0881 (72/817) <3w: 0.0428 (3.35e+05/7.83e+06) Model ave Recall: 0.982 Precision: all: 0.54 allw: 0.865 <3: 0.911 <3w: 0.955 F-measure:(Recall,Precision) 0.697 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 1 Recall: 0.979 Precision: all: 0.522 allw: 0.839 <3: 0.911 <3w: 0.957 F-measure:(Recall,Precision) 0.681 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.953 F-measure:(0,PrecisionIdealW) 0.978 Model 2 Recall: 0.98 Precision: all: 0.525 allw: 0.838 <3: 0.911 <3w: 0.956 F-measure:(Recall,Precision) 0.683 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 3 Recall: 0.98 Precision: all: 0.525 allw: 0.835 <3: 0.911 <3w: 0.957 F-measure:(Recall,Precision) 0.683 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 4 Recall: 0.979 Precision: all: 0.52 allw: 0.835 <3: 0.911 <3w: 0.955 F-measure:(Recall,Precision) 0.679 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 5 Recall: 0.98 Precision: all: 0.526 allw: 0.836 <3: 0.912 <3w: 0.957 F-measure:(Recall,Precision) 0.685 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 6 Recall: 0.979 Precision: all: 0.521 allw: 0.828 <3: 0.911 <3w: 0.956 F-measure:(Recall,Precision) 0.68 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.953 F-measure:(0,PrecisionIdealW) 0.977 Model 7 Recall: 0.978 Precision: all: 0.518 allw: 0.831 <3: 0.912 <3w: 0.955 F-measure:(Recall,Precision) 0.677 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 8 Recall: 0.981 Precision: all: 0.522 allw: 0.836 <3: 0.911 <3w: 0.956 F-measure:(Recall,Precision) 0.681 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.953 F-measure:(0,PrecisionIdealW) 0.978 Model 9 Recall: 0.98 Precision: all: 0.525 allw: 0.837 <3: 0.912 <3w: 0.955 F-measure:(Recall,Precision) 0.683 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 10 Recall: 0.98 Precision: all: 0.521 allw: 0.839 <3: 0.911 <3w: 0.955 F-measure:(Recall,Precision) 0.681 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.953 F-measure:(0,PrecisionIdealW) 0.977 Model 11 Recall: 0.982 Precision: all: 0.518 allw: 0.826 <3: 0.912 <3w: 0.955 F-measure:(Recall,Precision) 0.678 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 12 Recall: 0.981 Precision: all: 0.524 allw: 0.834 <3: 0.911 <3w: 0.956 F-measure:(Recall,Precision) 0.683 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.953 F-measure:(0,PrecisionIdealW) 0.977 Model 13 Recall: 0.981 Precision: all: 0.522 allw: 0.838 <3: 0.912 <3w: 0.958 F-measure:(Recall,Precision) 0.682 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 14 Recall: 0.981 Precision: all: 0.518 allw: 0.826 <3: 0.912 <3w: 0.957 F-measure:(Recall,Precision) 0.678 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 15 Recall: 0.978 Precision: all: 0.525 allw: 0.832 <3: 0.912 <3w: 0.953 F-measure:(Recall,Precision) 0.683 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.976 Model 16 Recall: 0.982 Precision: all: 0.518 allw: 0.836 <3: 0.912 <3w: 0.957 F-measure:(Recall,Precision) 0.678 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 17 Recall: 0.98 Precision: all: 0.52 allw: 0.833 <3: 0.912 <3w: 0.956 F-measure:(Recall,Precision) 0.679 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.978 Model 18 Recall: 0.981 Precision: all: 0.516 allw: 0.822 <3: 0.911 <3w: 0.954 F-measure:(Recall,Precision) 0.677 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 19 Recall: 0.981 Precision: all: 0.53 allw: 0.836 <3: 0.911 <3w: 0.956 F-measure:(Recall,Precision) 0.688 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.954 F-measure:(0,PrecisionIdealW) 0.977 Model 20 Recall: 0.981 Precision: all: 0.522 allw: 0.837 <3: 0.912 <3w: 0.957 F-measure:(Recall,Precision) 0.682 F-measure:(Recall,PrecisionW) 0.904 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: 0.974 Final Precision-score for input query structures: 0.884 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: 0.927 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.753 Model 1 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.859 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: 0.912 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.681 Model 2 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.859 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: 0.912 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.684 Model 3 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.858 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 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: 0.912 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.681 Model 4 Final Recall-score for input query structures: 0.97 Final Precision-score for input query structures: 0.857 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: 0.91 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.674 Model 5 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 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: 0.91 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.671 Model 6 Final Recall-score for input query structures: 0.971 Final Precision-score for input query structures: 0.848 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 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: 0.905 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.651 Model 7 Final Recall-score for input query structures: 0.971 Final Precision-score for input query structures: 0.849 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.96 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: 0.906 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.656 Model 8 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.858 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 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: 0.912 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.684 Model 9 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.857 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: 0.911 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.679 Model 10 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.859 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: 0.912 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.684 Model 11 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.847 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 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: 0.906 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.656 Model 12 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.854 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 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: 0.909 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.67 Model 13 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.858 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.963 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: 0.912 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.681 Model 14 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.847 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 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 15 Final Recall-score for input query structures: 0.97 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.959 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: 0.909 F-score of ideal true structures: 0.979 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.673 Model 16 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 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: 0.912 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.681 Model 17 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 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: 0.911 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.679 Model 18 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.846 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.96 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: 0.905 F-score of ideal true structures: 0.979 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.654 Model 19 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.858 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.961 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: 0.912 F-score of ideal true structures: 0.98 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.684 Model 20 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.962 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: 0.911 F-score of ideal true structures: 0.981 F-score of freely-rotating-chain model: 0.765 DP-Score: 0.676 Statistics: =========== NOESY_Assign: User CPU Time: 97.4 sec. Syst CPU Time: 1.43 sec. Other Processes: User CPU Time: 1.07 sec. Syst CPU Time: 0.08 sec. Total Elapsed Time: 100 sec.