# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 19:52:41 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SGR145_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SGR145_NMR_em_bcr3.pdb.iupac # Summary for c6-cycle7.peaks Total simulated peaks: 78 Number of peaks NOT matched in the Peak List: 14 M score = 0.18 Average shift in HX: 0.00024 Average ab-shift in HX: 0.0043(Assignment used: 62) Average shift in X: 0.005 Average ab-shift in X: 0.061(Assignment used: 62) Average shift in HX2: 0.0078 Average ab-shift in HX2: 0.012(Assignment used: 39) #For peaklist c6-cycle7.peaks: Rmax: 5 Model ave Inconsistent score: 0.2(167/833) Model 1 Inconsistent score: 0.191(159/833) Model 2 Inconsistent score: 0.2(167/833) Model 3 Inconsistent score: 0.199(166/833) Model 4 Inconsistent score: 0.2(167/833) Model 5 Inconsistent score: 0.198(165/833) Model 6 Inconsistent score: 0.196(163/833) Model 7 Inconsistent score: 0.19(158/833) Model 8 Inconsistent score: 0.194(162/833) Model 9 Inconsistent score: 0.19(158/833) Model 10 Inconsistent score: 0.197(164/833) Model 11 Inconsistent score: 0.199(166/833) Model 12 Inconsistent score: 0.193(161/833) Model 13 Inconsistent score: 0.19(158/833) Model 14 Inconsistent score: 0.202(168/833) Model 15 Inconsistent score: 0.206(172/833) Model 16 Inconsistent score: 0.194(162/833) Model 17 Inconsistent score: 0.202(168/833) Model 18 Inconsistent score: 0.205(171/833) Model 19 Inconsistent score: 0.198(165/833) Model 20 Inconsistent score: 0.202(168/833) Model ave Missing interactions: 0.169 (71/420) weighted: 0.0722 (6.46e+04/8.95e+05) <3: 0 (0/16) <3w: 0 (0/2.62e+05) Model 1 Missing interactions: 0.174 (76/437) weighted: 0.0819 (9.11e+04/1.11e+06) <3: 0 (0/16) <3w: 0 (0/2.63e+05) Model 2 Missing interactions: 0.165 (70/425) weighted: 0.105 (1.17e+05/1.12e+06) <3: 0 (0/16) <3w: 0 (0/2.66e+05) Model 3 Missing interactions: 0.18 (77/427) weighted: 0.106 (1.12e+05/1.06e+06) <3: 0 (0/16) <3w: 0 (0/2.55e+05) Model 4 Missing interactions: 0.179 (77/430) weighted: 0.11 (1.25e+05/1.14e+06) <3: 0 (0/16) <3w: 0 (0/2.64e+05) Model 5 Missing interactions: 0.17 (73/429) weighted: 0.0657 (7.21e+04/1.1e+06) <3: 0 (0/16) <3w: 0 (0/2.85e+05) Model 6 Missing interactions: 0.175 (75/429) weighted: 0.0935 (1.11e+05/1.18e+06) <3: 0 (0/16) <3w: 0 (0/2.67e+05) Model 7 Missing interactions: 0.17 (73/430) weighted: 0.0743 (8.72e+04/1.17e+06) <3: 0 (0/16) <3w: 0 (0/2.59e+05) Model 8 Missing interactions: 0.171 (74/432) weighted: 0.127 (1.49e+05/1.18e+06) <3: 0 (0/16) <3w: 0 (0/2.72e+05) Model 9 Missing interactions: 0.167 (72/430) weighted: 0.0863 (9.75e+04/1.13e+06) <3: 0 (0/16) <3w: 0 (0/2.68e+05) Model 10 Missing interactions: 0.185 (80/432) weighted: 0.0975 (1.07e+05/1.1e+06) <3: 0 (0/16) <3w: 0 (0/2.72e+05) Model 11 Missing interactions: 0.172 (73/425) weighted: 0.118 (1.39e+05/1.18e+06) <3: 0 (0/16) <3w: 0 (0/2.73e+05) Model 12 Missing interactions: 0.17 (74/435) weighted: 0.0593 (6.83e+04/1.15e+06) <3: 0 (0/16) <3w: 0 (0/2.8e+05) Model 13 Missing interactions: 0.161 (68/422) weighted: 0.102 (1.1e+05/1.07e+06) <3: 0 (0/16) <3w: 0 (0/2.56e+05) Model 14 Missing interactions: 0.169 (70/413) weighted: 0.0636 (6.75e+04/1.06e+06) <3: 0 (0/16) <3w: 0 (0/2.59e+05) Model 15 Missing interactions: 0.171 (73/427) weighted: 0.0974 (1.16e+05/1.19e+06) <3: 0 (0/16) <3w: 0 (0/2.84e+05) Model 16 Missing interactions: 0.176 (76/432) weighted: 0.11 (1.14e+05/1.04e+06) <3: 0 (0/16) <3w: 0 (0/2.53e+05) Model 17 Missing interactions: 0.175 (75/428) weighted: 0.116 (1.25e+05/1.08e+06) <3: 0 (0/16) <3w: 0 (0/2.58e+05) Model 18 Missing interactions: 0.169 (72/426) weighted: 0.0916 (9.8e+04/1.07e+06) <3: 0 (0/16) <3w: 0 (0/2.75e+05) Model 19 Missing interactions: 0.161 (69/428) weighted: 0.135 (1.58e+05/1.17e+06) <3: 0 (0/16) <3w: 0 (0/2.75e+05) Model 20 Missing interactions: 0.175 (74/423) weighted: 0.0955 (1.17e+05/1.23e+06) <3: 0 (0/16) <3w: 0 (0/2.68e+05) Model ave Recall: 0.8 Precision: all: 0.831 allw: 0.928 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.809 Precision: all: 0.826 allw: 0.918 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.818 F-measure:(Recall,PrecisionW) 0.86 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.8 Precision: all: 0.835 allw: 0.895 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.845 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.801 Precision: all: 0.82 allw: 0.894 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.81 F-measure:(Recall,PrecisionW) 0.845 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.8 Precision: all: 0.821 allw: 0.89 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.81 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.802 Precision: all: 0.83 allw: 0.934 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.816 F-measure:(Recall,PrecisionW) 0.863 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.804 Precision: all: 0.825 allw: 0.906 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.852 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.81 Precision: all: 0.83 allw: 0.926 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.864 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.806 Precision: all: 0.829 allw: 0.873 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.838 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.81 Precision: all: 0.833 allw: 0.914 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.803 Precision: all: 0.815 allw: 0.902 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.809 F-measure:(Recall,PrecisionW) 0.85 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.801 Precision: all: 0.828 allw: 0.882 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.814 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.807 Precision: all: 0.83 allw: 0.941 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.818 F-measure:(Recall,PrecisionW) 0.869 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.81 Precision: all: 0.839 allw: 0.898 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.852 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.798 Precision: all: 0.831 allw: 0.936 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.814 F-measure:(Recall,PrecisionW) 0.862 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.794 Precision: all: 0.829 allw: 0.903 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.811 F-measure:(Recall,PrecisionW) 0.845 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.806 Precision: all: 0.824 allw: 0.89 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.798 Precision: all: 0.825 allw: 0.884 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.811 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.795 Precision: all: 0.831 allw: 0.908 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.812 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.802 Precision: all: 0.839 allw: 0.865 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.832 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.798 Precision: all: 0.825 allw: 0.905 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.811 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.766(638/833) Model ave Missing interactions: 0.0635 (4/63) weighted: 0.00925 (303/3.28e+04) <3: 0 (0/16) <3w: 0 (0/2.92e+04) Recall: 0.234 Precision: all: 0.937 allw: 0.991 F-measure:(RecallFree,PrecisionFree) 0.375 F-measure:(ReallFree,PrecisionFreeW) 0.379 # Summary for n6-cycle7.peaks Total simulated peaks: 75 Number of peaks NOT matched in the Peak List: 8 M score = 0.11 Average shift in HX: 0.0061 Average ab-shift in HX: 0.0063(Assignment used: 27) Average shift in X: 0.045 Average ab-shift in X: 0.051(Assignment used: 27) Average shift in HX2: -9.1e-12 Average ab-shift in HX2: 0.0064(Assignment used: 51) #For peaklist n6-cycle7.peaks: Rmax: 5 Model ave Inconsistent score: 0.349(497/1424) Model 1 Inconsistent score: 0.344(490/1424) Model 2 Inconsistent score: 0.354(504/1424) Model 3 Inconsistent score: 0.348(496/1424) Model 4 Inconsistent score: 0.345(491/1424) Model 5 Inconsistent score: 0.347(494/1424) Model 6 Inconsistent score: 0.341(485/1424) Model 7 Inconsistent score: 0.346(493/1424) Model 8 Inconsistent score: 0.338(481/1424) Model 9 Inconsistent score: 0.345(491/1424) Model 10 Inconsistent score: 0.348(496/1424) Model 11 Inconsistent score: 0.351(500/1424) Model 12 Inconsistent score: 0.352(501/1424) Model 13 Inconsistent score: 0.351(500/1424) Model 14 Inconsistent score: 0.359(511/1424) Model 15 Inconsistent score: 0.345(491/1424) Model 16 Inconsistent score: 0.354(504/1424) Model 17 Inconsistent score: 0.339(483/1424) Model 18 Inconsistent score: 0.346(492/1424) Model 19 Inconsistent score: 0.355(505/1424) Model 20 Inconsistent score: 0.352(501/1424) Model ave Missing interactions: 0.156 (107/684) weighted: 0.0347 (3.84e+04/1.11e+06) <3: 0 (0/10) <3w: 0 (0/8.58e+04) Model 1 Missing interactions: 0.168 (118/703) weighted: 0.0324 (4.06e+04/1.26e+06) <3: 0 (0/10) <3w: 0 (0/8.61e+04) Model 2 Missing interactions: 0.17 (118/693) weighted: 0.0362 (4.29e+04/1.18e+06) <3: 0 (0/10) <3w: 0 (0/8.94e+04) Model 3 Missing interactions: 0.17 (118/693) weighted: 0.0363 (4.22e+04/1.16e+06) <3: 0 (0/10) <3w: 0 (0/7.82e+04) Model 4 Missing interactions: 0.173 (122/704) weighted: 0.0404 (5.15e+04/1.27e+06) <3: 0 (0/10) <3w: 0 (0/8.78e+04) Model 5 Missing interactions: 0.162 (113/697) weighted: 0.0405 (4.89e+04/1.21e+06) <3: 0 (0/10) <3w: 0 (0/1.09e+05) Model 6 Missing interactions: 0.164 (116/707) weighted: 0.0341 (4.65e+04/1.36e+06) <3: 0 (0/10) <3w: 0 (0/9.07e+04) Model 7 Missing interactions: 0.162 (113/696) weighted: 0.03 (3.99e+04/1.33e+06) <3: 0 (0/10) <3w: 0 (0/8.27e+04) Model 8 Missing interactions: 0.152 (106/698) weighted: 0.0355 (4.54e+04/1.28e+06) <3: 0 (0/10) <3w: 0 (0/9.53e+04) Model 9 Missing interactions: 0.16 (110/686) weighted: 0.0334 (4.1e+04/1.23e+06) <3: 0 (0/10) <3w: 0 (0/9.2e+04) Model 10 Missing interactions: 0.168 (116/692) weighted: 0.0387 (4.37e+04/1.13e+06) <3: 0 (0/10) <3w: 0 (0/9.59e+04) Model 11 Missing interactions: 0.147 (100/681) weighted: 0.034 (4.36e+04/1.28e+06) <3: 0 (0/10) <3w: 0 (0/9.65e+04) Model 12 Missing interactions: 0.177 (125/707) weighted: 0.0398 (5.4e+04/1.36e+06) <3: 0 (0/10) <3w: 0 (0/1.04e+05) Model 13 Missing interactions: 0.167 (116/694) weighted: 0.0346 (4.22e+04/1.22e+06) <3: 0 (0/10) <3w: 0 (0/7.95e+04) Model 14 Missing interactions: 0.155 (103/665) weighted: 0.0376 (4.95e+04/1.32e+06) <3: 0 (0/10) <3w: 0 (0/8.26e+04) Model 15 Missing interactions: 0.161 (112/697) weighted: 0.0581 (7.14e+04/1.23e+06) <3: 0 (0/10) <3w: 0 (0/1.07e+05) Model 16 Missing interactions: 0.156 (107/684) weighted: 0.0348 (4.13e+04/1.19e+06) <3: 0 (0/10) <3w: 0 (0/7.68e+04) Model 17 Missing interactions: 0.163 (115/706) weighted: 0.0314 (4.06e+04/1.29e+06) <3: 0 (0/10) <3w: 0 (0/8.12e+04) Model 18 Missing interactions: 0.164 (116/708) weighted: 0.0411 (5.21e+04/1.27e+06) <3: 0 (0/10) <3w: 0 (0/9.83e+04) Model 19 Missing interactions: 0.16 (110/688) weighted: 0.035 (5.06e+04/1.45e+06) <3: 0 (0/10) <3w: 0 (0/9.85e+04) Model 20 Missing interactions: 0.158 (108/683) weighted: 0.0312 (4.42e+04/1.42e+06) <3: 0 (0/10) <3w: 0 (0/9.15e+04) Model ave Recall: 0.651 Precision: all: 0.844 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.735 F-measure:(Recall,PrecisionW) 0.778 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.656 Precision: all: 0.832 allw: 0.968 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.734 F-measure:(Recall,PrecisionW) 0.782 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.646 Precision: all: 0.83 allw: 0.964 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.726 F-measure:(Recall,PrecisionW) 0.774 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.652 Precision: all: 0.83 allw: 0.964 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.73 F-measure:(Recall,PrecisionW) 0.778 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.655 Precision: all: 0.827 allw: 0.96 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.731 F-measure:(Recall,PrecisionW) 0.779 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.653 Precision: all: 0.838 allw: 0.96 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.734 F-measure:(Recall,PrecisionW) 0.777 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.659 Precision: all: 0.836 allw: 0.966 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.737 F-measure:(Recall,PrecisionW) 0.784 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.654 Precision: all: 0.838 allw: 0.97 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.734 F-measure:(Recall,PrecisionW) 0.781 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.662 Precision: all: 0.848 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.744 F-measure:(Recall,PrecisionW) 0.785 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.655 Precision: all: 0.84 allw: 0.967 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.736 F-measure:(Recall,PrecisionW) 0.781 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.652 Precision: all: 0.832 allw: 0.961 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.731 F-measure:(Recall,PrecisionW) 0.777 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.649 Precision: all: 0.853 allw: 0.966 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.737 F-measure:(Recall,PrecisionW) 0.776 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.648 Precision: all: 0.823 allw: 0.96 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.774 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.649 Precision: all: 0.833 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.729 F-measure:(Recall,PrecisionW) 0.776 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.641 Precision: all: 0.845 allw: 0.962 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.729 F-measure:(Recall,PrecisionW) 0.77 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.655 Precision: all: 0.839 allw: 0.942 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.736 F-measure:(Recall,PrecisionW) 0.773 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.646 Precision: all: 0.844 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.732 F-measure:(Recall,PrecisionW) 0.774 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.661 Precision: all: 0.837 allw: 0.969 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.739 F-measure:(Recall,PrecisionW) 0.786 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.654 Precision: all: 0.836 allw: 0.959 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.734 F-measure:(Recall,PrecisionW) 0.778 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.645 Precision: all: 0.84 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.73 F-measure:(Recall,PrecisionW) 0.773 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.648 Precision: all: 0.842 allw: 0.969 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.732 F-measure:(Recall,PrecisionW) 0.777 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.746(1063/1424) Model ave Missing interactions: 0.0822 (18/219) weighted: 0.0893 (4.57e+03/5.12e+04) <3: 0 (0/10) <3w: 0 (0/1.43e+03) Recall: 0.254 Precision: all: 0.918 allw: 0.911 F-measure:(RecallFree,PrecisionFree) 0.397 F-measure:(ReallFree,PrecisionFreeW) 0.397 Final M-score 0.144 22/153 Model ave Final Recall-score for input query structures: 0.706 Final Precision-score for input query structures: 0.949 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.809 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.686 Model 1 Final Recall-score for input query structures: 0.712 Final Precision-score for input query structures: 0.944 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.812 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.691 Model 2 Final Recall-score for input query structures: 0.703 Final Precision-score for input query structures: 0.931 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.801 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.673 Model 3 Final Recall-score for input query structures: 0.707 Final Precision-score for input query structures: 0.93 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.803 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.677 Model 4 Final Recall-score for input query structures: 0.708 Final Precision-score for input query structures: 0.927 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.803 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.677 Model 5 Final Recall-score for input query structures: 0.708 Final Precision-score for input query structures: 0.948 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.81 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.688 Model 6 Final Recall-score for input query structures: 0.713 Final Precision-score for input query structures: 0.938 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.81 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.688 Model 7 Final Recall-score for input query structures: 0.712 Final Precision-score for input query structures: 0.949 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.813 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.693 Model 8 Final Recall-score for input query structures: 0.715 Final Precision-score for input query structures: 0.921 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.805 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.68 Model 9 Final Recall-score for input query structures: 0.712 Final Precision-score for input query structures: 0.941 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.811 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.69 Model 10 Final Recall-score for input query structures: 0.708 Final Precision-score for input query structures: 0.932 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.805 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.68 Model 11 Final Recall-score for input query structures: 0.705 Final Precision-score for input query structures: 0.926 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.8 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.672 Model 12 Final Recall-score for input query structures: 0.707 Final Precision-score for input query structures: 0.951 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.811 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.69 Model 13 Final Recall-score for input query structures: 0.708 Final Precision-score for input query structures: 0.934 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.806 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.681 Model 14 Final Recall-score for input query structures: 0.699 Final Precision-score for input query structures: 0.951 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.806 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.681 Model 15 Final Recall-score for input query structures: 0.706 Final Precision-score for input query structures: 0.923 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.8 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.672 Model 16 Final Recall-score for input query structures: 0.705 Final Precision-score for input query structures: 0.93 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.802 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.675 Model 17 Final Recall-score for input query structures: 0.712 Final Precision-score for input query structures: 0.93 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.806 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.681 Model 18 Final Recall-score for input query structures: 0.706 Final Precision-score for input query structures: 0.936 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.805 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.68 Model 19 Final Recall-score for input query structures: 0.703 Final Precision-score for input query structures: 0.92 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.797 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.667 Model 20 Final Recall-score for input query structures: 0.704 Final Precision-score for input query structures: 0.939 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.804 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.678 Statistics: =========== NOESY_Assign: User CPU Time: 20.5 sec. Syst CPU Time: 0.4 sec. Other Processes: User CPU Time: 0.57 sec. Syst CPU Time: 0.05 sec. Total Elapsed Time: 21.5 sec.