# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 10:50:28 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR5546A_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR5546A_NMR_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 165 Number of peaks NOT matched in the Peak List: 5 M score = 0.03 Average shift in HX: -0.0059 Average ab-shift in HX: 0.014(Assignment used: 132) Average shift in X: -0.035 Average ab-shift in X: 0.049(Assignment used: 123) Average shift in HX2: -0.011 Average ab-shift in HX2: 0.016(Assignment used: 154) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0847(132/1559) Model 1 Inconsistent score: 0.0827(129/1559) Model 2 Inconsistent score: 0.0763(119/1559) Model 3 Inconsistent score: 0.0821(128/1559) Model 4 Inconsistent score: 0.0776(121/1559) Model 5 Inconsistent score: 0.0776(121/1559) Model 6 Inconsistent score: 0.0802(125/1559) Model 7 Inconsistent score: 0.0738(115/1559) Model 8 Inconsistent score: 0.0866(135/1559) Model 9 Inconsistent score: 0.0853(133/1559) Model 10 Inconsistent score: 0.0885(138/1559) Model 11 Inconsistent score: 0.0834(130/1559) Model 12 Inconsistent score: 0.0744(116/1559) Model 13 Inconsistent score: 0.0763(119/1559) Model 14 Inconsistent score: 0.0738(115/1559) Model 15 Inconsistent score: 0.0783(122/1559) Model 16 Inconsistent score: 0.077(120/1559) Model 17 Inconsistent score: 0.0776(121/1559) Model 18 Inconsistent score: 0.086(134/1559) Model 19 Inconsistent score: 0.0802(125/1559) Model 20 Inconsistent score: 0.0725(113/1559) Model ave Missing interactions: 0.255 (436/1707) weighted: 0.0405 (1.7e+05/4.2e+06) <3: 0.0347 (7/202) <3w: 0.0168 (2.26e+04/1.35e+06) Model 1 Missing interactions: 0.302 (572/1896) weighted: 0.108 (6.41e+05/5.93e+06) <3: 0.0345 (7/203) <3w: 0.0143 (1.97e+04/1.38e+06) Model 2 Missing interactions: 0.291 (544/1870) weighted: 0.0787 (4.53e+05/5.76e+06) <3: 0.0341 (7/205) <3w: 0.0113 (1.61e+04/1.42e+06) Model 3 Missing interactions: 0.285 (526/1846) weighted: 0.0601 (3.41e+05/5.67e+06) <3: 0.0343 (7/204) <3w: 0.0124 (1.75e+04/1.41e+06) Model 4 Missing interactions: 0.291 (540/1857) weighted: 0.077 (4.39e+05/5.7e+06) <3: 0.0338 (7/207) <3w: 0.00999 (1.41e+04/1.41e+06) Model 5 Missing interactions: 0.29 (546/1884) weighted: 0.082 (4.81e+05/5.87e+06) <3: 0.034 (7/206) <3w: 0.0119 (1.68e+04/1.41e+06) Model 6 Missing interactions: 0.291 (544/1868) weighted: 0.0569 (3.29e+05/5.79e+06) <3: 0.0343 (7/204) <3w: 0.00993 (1.44e+04/1.45e+06) Model 7 Missing interactions: 0.309 (595/1924) weighted: 0.0899 (5.34e+05/5.95e+06) <3: 0.0338 (7/207) <3w: 0.0113 (1.6e+04/1.41e+06) Model 8 Missing interactions: 0.301 (571/1898) weighted: 0.0718 (4.02e+05/5.6e+06) <3: 0.0347 (7/202) <3w: 0.00992 (1.38e+04/1.39e+06) Model 9 Missing interactions: 0.294 (550/1872) weighted: 0.0593 (3.42e+05/5.76e+06) <3: 0.034 (7/206) <3w: 0.0113 (1.63e+04/1.45e+06) Model 10 Missing interactions: 0.297 (550/1854) weighted: 0.0826 (4.81e+05/5.82e+06) <3: 0.0341 (7/205) <3w: 0.0145 (2.02e+04/1.4e+06) Model 11 Missing interactions: 0.282 (516/1829) weighted: 0.0766 (4.37e+05/5.7e+06) <3: 0.0343 (7/204) <3w: 0.0111 (1.58e+04/1.42e+06) Model 12 Missing interactions: 0.299 (564/1889) weighted: 0.0781 (4.55e+05/5.83e+06) <3: 0.0348 (7/201) <3w: 0.0185 (2.57e+04/1.39e+06) Model 13 Missing interactions: 0.299 (567/1898) weighted: 0.074 (4.3e+05/5.81e+06) <3: 0.0345 (7/203) <3w: 0.012 (1.67e+04/1.4e+06) Model 14 Missing interactions: 0.299 (560/1876) weighted: 0.0829 (4.61e+05/5.56e+06) <3: 0.0338 (7/207) <3w: 0.0214 (2.91e+04/1.36e+06) Model 15 Missing interactions: 0.291 (548/1885) weighted: 0.0621 (3.49e+05/5.62e+06) <3: 0.034 (7/206) <3w: 0.0127 (1.76e+04/1.39e+06) Model 16 Missing interactions: 0.276 (509/1841) weighted: 0.0868 (4.83e+05/5.57e+06) <3: 0.0343 (7/204) <3w: 0.0138 (1.93e+04/1.4e+06) Model 17 Missing interactions: 0.301 (571/1898) weighted: 0.081 (4.81e+05/5.94e+06) <3: 0.0341 (7/205) <3w: 0.0108 (1.52e+04/1.41e+06) Model 18 Missing interactions: 0.29 (539/1859) weighted: 0.0658 (3.7e+05/5.62e+06) <3: 0.0347 (7/202) <3w: 0.0114 (1.58e+04/1.38e+06) Model 19 Missing interactions: 0.291 (541/1861) weighted: 0.0741 (4.18e+05/5.65e+06) <3: 0.0343 (7/204) <3w: 0.0141 (1.99e+04/1.41e+06) Model 20 Missing interactions: 0.299 (563/1883) weighted: 0.0665 (3.66e+05/5.49e+06) <3: 0.034 (7/206) <3w: 0.0109 (1.47e+04/1.35e+06) Model ave Recall: 0.915 Precision: all: 0.745 allw: 0.959 <3: 0.965 <3w: 0.983 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.982 F-measure:(0,PrecisionIdealW) 0.992 Model 1 Recall: 0.917 Precision: all: 0.698 allw: 0.892 <3: 0.966 <3w: 0.986 F-measure:(Recall,Precision) 0.793 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.982 F-measure:(0,PrecisionIdealW) 0.993 Model 2 Recall: 0.924 Precision: all: 0.709 allw: 0.921 <3: 0.966 <3w: 0.989 F-measure:(Recall,Precision) 0.802 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.994 Model 3 Recall: 0.918 Precision: all: 0.715 allw: 0.94 <3: 0.966 <3w: 0.988 F-measure:(Recall,Precision) 0.804 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.994 Model 4 Recall: 0.922 Precision: all: 0.709 allw: 0.923 <3: 0.966 <3w: 0.99 F-measure:(Recall,Precision) 0.802 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 Model 5 Recall: 0.922 Precision: all: 0.71 allw: 0.918 <3: 0.966 <3w: 0.988 F-measure:(Recall,Precision) 0.802 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.994 Model 6 Recall: 0.92 Precision: all: 0.709 allw: 0.943 <3: 0.966 <3w: 0.99 F-measure:(Recall,Precision) 0.801 F-measure:(Recall,PrecisionW) 0.931 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 Model 7 Recall: 0.926 Precision: all: 0.691 allw: 0.91 <3: 0.966 <3w: 0.989 F-measure:(Recall,Precision) 0.791 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.994 Model 8 Recall: 0.913 Precision: all: 0.699 allw: 0.928 <3: 0.965 <3w: 0.99 F-measure:(Recall,Precision) 0.792 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.982 F-measure:(0,PrecisionIdealW) 0.995 Model 9 Recall: 0.915 Precision: all: 0.706 allw: 0.941 <3: 0.966 <3w: 0.989 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.994 Model 10 Recall: 0.911 Precision: all: 0.703 allw: 0.917 <3: 0.966 <3w: 0.986 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.914 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.993 Model 11 Recall: 0.917 Precision: all: 0.718 allw: 0.923 <3: 0.966 <3w: 0.989 F-measure:(Recall,Precision) 0.805 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.994 Model 12 Recall: 0.926 Precision: all: 0.701 allw: 0.922 <3: 0.965 <3w: 0.981 F-measure:(Recall,Precision) 0.798 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.982 F-measure:(0,PrecisionIdealW) 0.991 Model 13 Recall: 0.924 Precision: all: 0.701 allw: 0.926 <3: 0.966 <3w: 0.988 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 0.982 F-measure:(0,PrecisionIdealW) 0.994 Model 14 Recall: 0.926 Precision: all: 0.701 allw: 0.917 <3: 0.966 <3w: 0.979 F-measure:(Recall,Precision) 0.798 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.989 Model 15 Recall: 0.922 Precision: all: 0.709 allw: 0.938 <3: 0.966 <3w: 0.987 F-measure:(Recall,Precision) 0.802 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.994 Model 16 Recall: 0.923 Precision: all: 0.724 allw: 0.913 <3: 0.966 <3w: 0.986 F-measure:(Recall,Precision) 0.811 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.993 Model 17 Recall: 0.922 Precision: all: 0.699 allw: 0.919 <3: 0.966 <3w: 0.989 F-measure:(Recall,Precision) 0.795 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 Model 18 Recall: 0.914 Precision: all: 0.71 allw: 0.934 <3: 0.965 <3w: 0.989 F-measure:(Recall,Precision) 0.799 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.982 F-measure:(0,PrecisionIdealW) 0.994 Model 19 Recall: 0.92 Precision: all: 0.709 allw: 0.926 <3: 0.966 <3w: 0.986 F-measure:(Recall,Precision) 0.801 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.993 Model 20 Recall: 0.928 Precision: all: 0.701 allw: 0.933 <3: 0.966 <3w: 0.989 F-measure:(Recall,Precision) 0.799 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.983 F-measure:(0,PrecisionIdealW) 0.995 For freely-rotating-chain model: Model ave Inconsistent score: 0.384(598/1559) Model ave Missing interactions: 0.16 (153/956) weighted: 0.0822 (4.91e+04/5.97e+05) <3: 0.0609 (12/197) <3w: 0.066 (2.32e+04/3.52e+05) Recall: 0.616 Precision: all: 0.84 allw: 0.918 F-measure:(RecallFree,PrecisionFree) 0.711 F-measure:(ReallFree,PrecisionFreeW) 0.738 # Summary for c_aro.peaks Total simulated peaks: 16 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: 0.00056 Average ab-shift in HX: 0.0021(Assignment used: 9) Average shift in X: -0.028 Average ab-shift in X: 0.059(Assignment used: 9) Average shift in HX2: -0.0015 Average ab-shift in HX2: 0.0029(Assignment used: 16) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0(0/183) Model 1 Inconsistent score: 0.0328(6/183) Model 2 Inconsistent score: 0.0164(3/183) Model 3 Inconsistent score: 0.0273(5/183) Model 4 Inconsistent score: 0.0164(3/183) Model 5 Inconsistent score: 0.0109(2/183) Model 6 Inconsistent score: 0.0437(8/183) Model 7 Inconsistent score: 0.0109(2/183) Model 8 Inconsistent score: 0.0383(7/183) Model 9 Inconsistent score: 0.0328(6/183) Model 10 Inconsistent score: 0.0109(2/183) Model 11 Inconsistent score: 0.0273(5/183) Model 12 Inconsistent score: 0.0383(7/183) Model 13 Inconsistent score: 0.0546(10/183) Model 14 Inconsistent score: 0.0219(4/183) Model 15 Inconsistent score: 0.00546(1/183) Model 16 Inconsistent score: 0.0109(2/183) Model 17 Inconsistent score: 0.0273(5/183) Model 18 Inconsistent score: 0.0164(3/183) Model 19 Inconsistent score: 0.0219(4/183) Model 20 Inconsistent score: 0.0164(3/183) Model ave Missing interactions: 0.544 (205/377) weighted: 0.192 (6.83e+04/3.56e+05) <3: 0.447 (17/38) <3w: 0.105 (1.14e+04/1.08e+05) Model 1 Missing interactions: 0.618 (295/477) weighted: 0.297 (2.19e+05/7.38e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.08e+05) Model 2 Missing interactions: 0.6 (275/458) weighted: 0.249 (1.57e+05/6.32e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.08e+05) Model 3 Missing interactions: 0.616 (279/453) weighted: 0.24 (1.48e+05/6.19e+05) <3: 0.447 (17/38) <3w: 0.104 (1.13e+04/1.08e+05) Model 4 Missing interactions: 0.628 (312/497) weighted: 0.343 (2.62e+05/7.63e+05) <3: 0.447 (17/38) <3w: 0.106 (1.15e+04/1.08e+05) Model 5 Missing interactions: 0.602 (272/452) weighted: 0.24 (1.62e+05/6.77e+05) <3: 0.447 (17/38) <3w: 0.104 (1.13e+04/1.08e+05) Model 6 Missing interactions: 0.607 (267/440) weighted: 0.228 (1.38e+05/6.05e+05) <3: 0.447 (17/38) <3w: 0.106 (1.15e+04/1.08e+05) Model 7 Missing interactions: 0.606 (292/482) weighted: 0.29 (2.25e+05/7.74e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.07e+05) Model 8 Missing interactions: 0.637 (298/468) weighted: 0.328 (2.16e+05/6.57e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.08e+05) Model 9 Missing interactions: 0.593 (265/447) weighted: 0.317 (2.11e+05/6.66e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.07e+05) Model 10 Missing interactions: 0.62 (290/468) weighted: 0.327 (2.18e+05/6.66e+05) <3: 0.447 (17/38) <3w: 0.107 (1.15e+04/1.07e+05) Model 11 Missing interactions: 0.595 (261/439) weighted: 0.252 (1.76e+05/7.01e+05) <3: 0.447 (17/38) <3w: 0.107 (1.15e+04/1.08e+05) Model 12 Missing interactions: 0.618 (278/450) weighted: 0.322 (2.1e+05/6.51e+05) <3: 0.447 (17/38) <3w: 0.106 (1.15e+04/1.08e+05) Model 13 Missing interactions: 0.599 (263/439) weighted: 0.348 (2.37e+05/6.8e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.07e+05) Model 14 Missing interactions: 0.585 (266/455) weighted: 0.221 (1.31e+05/5.92e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.07e+05) Model 15 Missing interactions: 0.605 (283/468) weighted: 0.282 (1.85e+05/6.56e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.08e+05) Model 16 Missing interactions: 0.586 (255/435) weighted: 0.235 (1.52e+05/6.46e+05) <3: 0.447 (17/38) <3w: 0.104 (1.13e+04/1.08e+05) Model 17 Missing interactions: 0.579 (242/418) weighted: 0.22 (1.35e+05/6.13e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.07e+05) Model 18 Missing interactions: 0.608 (274/451) weighted: 0.262 (1.67e+05/6.36e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.07e+05) Model 19 Missing interactions: 0.591 (267/452) weighted: 0.251 (1.73e+05/6.89e+05) <3: 0.447 (17/38) <3w: 0.107 (1.15e+04/1.07e+05) Model 20 Missing interactions: 0.612 (278/454) weighted: 0.299 (1.82e+05/6.07e+05) <3: 0.447 (17/38) <3w: 0.105 (1.13e+04/1.08e+05) Model ave Recall: 1 Precision: all: 0.456 allw: 0.808 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.944 Model 1 Recall: 0.967 Precision: all: 0.382 allw: 0.703 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.547 F-measure:(Recall,PrecisionW) 0.814 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 2 Recall: 0.984 Precision: all: 0.4 allw: 0.751 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.568 F-measure:(Recall,PrecisionW) 0.852 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 3 Recall: 0.973 Precision: all: 0.384 allw: 0.76 <3: 0.553 <3w: 0.896 F-measure:(Recall,Precision) 0.551 F-measure:(Recall,PrecisionW) 0.853 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 4 Recall: 0.984 Precision: all: 0.372 allw: 0.657 <3: 0.553 <3w: 0.894 F-measure:(Recall,Precision) 0.54 F-measure:(Recall,PrecisionW) 0.788 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.944 Model 5 Recall: 0.989 Precision: all: 0.398 allw: 0.76 <3: 0.553 <3w: 0.896 F-measure:(Recall,Precision) 0.568 F-measure:(Recall,PrecisionW) 0.86 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 6 Recall: 0.956 Precision: all: 0.393 allw: 0.772 <3: 0.553 <3w: 0.894 F-measure:(Recall,Precision) 0.557 F-measure:(Recall,PrecisionW) 0.854 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.944 Model 7 Recall: 0.989 Precision: all: 0.394 allw: 0.71 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.564 F-measure:(Recall,PrecisionW) 0.826 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 8 Recall: 0.962 Precision: all: 0.363 allw: 0.672 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.527 F-measure:(Recall,PrecisionW) 0.791 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 9 Recall: 0.967 Precision: all: 0.407 allw: 0.683 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.573 F-measure:(Recall,PrecisionW) 0.8 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 10 Recall: 0.989 Precision: all: 0.38 allw: 0.673 <3: 0.553 <3w: 0.893 F-measure:(Recall,Precision) 0.549 F-measure:(Recall,PrecisionW) 0.801 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.943 Model 11 Recall: 0.973 Precision: all: 0.405 allw: 0.748 <3: 0.553 <3w: 0.893 F-measure:(Recall,Precision) 0.572 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.944 Model 12 Recall: 0.962 Precision: all: 0.382 allw: 0.678 <3: 0.553 <3w: 0.894 F-measure:(Recall,Precision) 0.547 F-measure:(Recall,PrecisionW) 0.796 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.944 Model 13 Recall: 0.945 Precision: all: 0.401 allw: 0.652 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.563 F-measure:(Recall,PrecisionW) 0.771 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 14 Recall: 0.978 Precision: all: 0.415 allw: 0.779 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.583 F-measure:(Recall,PrecisionW) 0.867 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 15 Recall: 0.995 Precision: all: 0.395 allw: 0.718 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.566 F-measure:(Recall,PrecisionW) 0.834 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 16 Recall: 0.989 Precision: all: 0.414 allw: 0.765 <3: 0.553 <3w: 0.896 F-measure:(Recall,Precision) 0.583 F-measure:(Recall,PrecisionW) 0.863 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 17 Recall: 0.973 Precision: all: 0.421 allw: 0.78 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.588 F-measure:(Recall,PrecisionW) 0.866 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 18 Recall: 0.984 Precision: all: 0.392 allw: 0.738 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.561 F-measure:(Recall,PrecisionW) 0.843 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 Model 19 Recall: 0.978 Precision: all: 0.409 allw: 0.749 <3: 0.553 <3w: 0.893 F-measure:(Recall,Precision) 0.577 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.943 Model 20 Recall: 0.984 Precision: all: 0.388 allw: 0.701 <3: 0.553 <3w: 0.895 F-measure:(Recall,Precision) 0.556 F-measure:(Recall,PrecisionW) 0.819 F-measure:(0,PrecisionIdeal) 0.712 F-measure:(0,PrecisionIdealW) 0.945 For freely-rotating-chain model: Model ave Inconsistent score: 0.59(108/183) Model ave Missing interactions: 0.538 (56/104) weighted: 0.541 (3.42e+04/6.32e+04) <3: 0.593 (32/54) <3w: 0.57 (3.19e+04/5.61e+04) Recall: 0.41 Precision: all: 0.462 allw: 0.459 F-measure:(RecallFree,PrecisionFree) 0.434 F-measure:(ReallFree,PrecisionFreeW) 0.433 # Summary for c_ali.peaks Total simulated peaks: 812 Number of peaks NOT matched in the Peak List: 70 M score = 0.086 Average shift in HX: 0.003 Average ab-shift in HX: 0.0051(Assignment used: 388) Average shift in X: -0.024 Average ab-shift in X: 0.075(Assignment used: 308) Average shift in HX2: 0.0048 Average ab-shift in HX2: 0.0087(Assignment used: 451) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.0128(35/2743) Model 1 Inconsistent score: 0.0124(34/2743) Model 2 Inconsistent score: 0.00766(21/2743) Model 3 Inconsistent score: 0.0117(32/2743) Model 4 Inconsistent score: 0.00911(25/2743) Model 5 Inconsistent score: 0.0109(30/2743) Model 6 Inconsistent score: 0.00838(23/2743) Model 7 Inconsistent score: 0.0146(40/2743) Model 8 Inconsistent score: 0.012(33/2743) Model 9 Inconsistent score: 0.0128(35/2743) Model 10 Inconsistent score: 0.012(33/2743) Model 11 Inconsistent score: 0.00948(26/2743) Model 12 Inconsistent score: 0.0106(29/2743) Model 13 Inconsistent score: 0.0142(39/2743) Model 14 Inconsistent score: 0.0117(32/2743) Model 15 Inconsistent score: 0.0106(29/2743) Model 16 Inconsistent score: 0.0106(29/2743) Model 17 Inconsistent score: 0.0182(50/2743) Model 18 Inconsistent score: 0.012(33/2743) Model 19 Inconsistent score: 0.0128(35/2743) Model 20 Inconsistent score: 0.012(33/2743) Model ave Missing interactions: 0.49 (2.3e+03/4682) weighted: 0.0798 (9.84e+05/1.23e+07) <3: 0.0398 (26/654) <3w: 0.0185 (1.35e+05/7.32e+06) Model 1 Missing interactions: 0.534 (2.82e+03/5282) weighted: 0.162 (2.65e+06/1.64e+07) <3: 0.0397 (26/655) <3w: 0.0214 (1.58e+05/7.39e+06) Model 2 Missing interactions: 0.532 (2.83e+03/5313) weighted: 0.154 (2.55e+06/1.66e+07) <3: 0.0395 (26/659) <3w: 0.0166 (1.24e+05/7.47e+06) Model 3 Missing interactions: 0.522 (2.68e+03/5133) weighted: 0.128 (2.05e+06/1.6e+07) <3: 0.0395 (26/658) <3w: 0.0175 (1.31e+05/7.5e+06) Model 4 Missing interactions: 0.527 (2.75e+03/5220) weighted: 0.142 (2.35e+06/1.65e+07) <3: 0.0395 (26/659) <3w: 0.0193 (1.43e+05/7.44e+06) Model 5 Missing interactions: 0.528 (2.76e+03/5238) weighted: 0.127 (2.06e+06/1.62e+07) <3: 0.0394 (26/660) <3w: 0.0191 (1.42e+05/7.44e+06) Model 6 Missing interactions: 0.531 (2.8e+03/5276) weighted: 0.134 (2.17e+06/1.62e+07) <3: 0.0398 (26/654) <3w: 0.0175 (1.31e+05/7.49e+06) Model 7 Missing interactions: 0.525 (2.73e+03/5195) weighted: 0.14 (2.3e+06/1.64e+07) <3: 0.0395 (26/659) <3w: 0.0199 (1.49e+05/7.47e+06) Model 8 Missing interactions: 0.531 (2.81e+03/5289) weighted: 0.145 (2.31e+06/1.59e+07) <3: 0.0398 (26/654) <3w: 0.0174 (1.29e+05/7.42e+06) Model 9 Missing interactions: 0.53 (2.81e+03/5301) weighted: 0.144 (2.34e+06/1.62e+07) <3: 0.0395 (26/658) <3w: 0.0173 (1.29e+05/7.47e+06) Model 10 Missing interactions: 0.526 (2.74e+03/5217) weighted: 0.146 (2.42e+06/1.65e+07) <3: 0.0395 (26/659) <3w: 0.0186 (1.38e+05/7.42e+06) Model 11 Missing interactions: 0.523 (2.69e+03/5148) weighted: 0.134 (2.2e+06/1.64e+07) <3: 0.0395 (26/658) <3w: 0.0197 (1.48e+05/7.5e+06) Model 12 Missing interactions: 0.53 (2.78e+03/5248) weighted: 0.14 (2.31e+06/1.64e+07) <3: 0.0398 (26/653) <3w: 0.0168 (1.25e+05/7.42e+06) Model 13 Missing interactions: 0.535 (2.83e+03/5294) weighted: 0.135 (2.2e+06/1.63e+07) <3: 0.0397 (26/655) <3w: 0.0161 (1.19e+05/7.39e+06) Model 14 Missing interactions: 0.527 (2.74e+03/5198) weighted: 0.131 (2.06e+06/1.57e+07) <3: 0.0393 (26/661) <3w: 0.017 (1.26e+05/7.4e+06) Model 15 Missing interactions: 0.53 (2.74e+03/5180) weighted: 0.136 (2.14e+06/1.57e+07) <3: 0.0395 (26/658) <3w: 0.0167 (1.24e+05/7.41e+06) Model 16 Missing interactions: 0.527 (2.74e+03/5186) weighted: 0.143 (2.28e+06/1.59e+07) <3: 0.0396 (26/656) <3w: 0.0211 (1.56e+05/7.4e+06) Model 17 Missing interactions: 0.529 (2.73e+03/5166) weighted: 0.15 (2.44e+06/1.63e+07) <3: 0.0396 (26/657) <3w: 0.017 (1.26e+05/7.42e+06) Model 18 Missing interactions: 0.527 (2.74e+03/5195) weighted: 0.137 (2.23e+06/1.63e+07) <3: 0.0398 (26/654) <3w: 0.0187 (1.4e+05/7.5e+06) Model 19 Missing interactions: 0.519 (2.63e+03/5066) weighted: 0.135 (2.2e+06/1.63e+07) <3: 0.0396 (26/656) <3w: 0.0183 (1.38e+05/7.52e+06) Model 20 Missing interactions: 0.529 (2.78e+03/5251) weighted: 0.135 (2.14e+06/1.59e+07) <3: 0.0394 (26/660) <3w: 0.0174 (1.28e+05/7.38e+06) Model ave Recall: 0.987 Precision: all: 0.51 allw: 0.92 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.672 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 1 Recall: 0.988 Precision: all: 0.466 allw: 0.838 <3: 0.96 <3w: 0.979 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.907 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.989 Model 2 Recall: 0.992 Precision: all: 0.468 allw: 0.846 <3: 0.961 <3w: 0.983 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.992 Model 3 Recall: 0.988 Precision: all: 0.478 allw: 0.872 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 4 Recall: 0.991 Precision: all: 0.473 allw: 0.858 <3: 0.961 <3w: 0.981 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.99 Model 5 Recall: 0.989 Precision: all: 0.472 allw: 0.873 <3: 0.961 <3w: 0.981 F-measure:(Recall,Precision) 0.639 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.99 Model 6 Recall: 0.992 Precision: all: 0.469 allw: 0.866 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 7 Recall: 0.985 Precision: all: 0.475 allw: 0.86 <3: 0.961 <3w: 0.98 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.99 Model 8 Recall: 0.988 Precision: all: 0.469 allw: 0.855 <3: 0.96 <3w: 0.983 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.917 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 9 Recall: 0.987 Precision: all: 0.47 allw: 0.856 <3: 0.96 <3w: 0.983 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.917 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 10 Recall: 0.988 Precision: all: 0.474 allw: 0.854 <3: 0.961 <3w: 0.981 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.916 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 11 Recall: 0.991 Precision: all: 0.477 allw: 0.866 <3: 0.96 <3w: 0.98 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.99 Model 12 Recall: 0.989 Precision: all: 0.47 allw: 0.86 <3: 0.96 <3w: 0.983 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.992 Model 13 Recall: 0.986 Precision: all: 0.465 allw: 0.865 <3: 0.96 <3w: 0.984 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.992 Model 14 Recall: 0.988 Precision: all: 0.473 allw: 0.869 <3: 0.961 <3w: 0.983 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 15 Recall: 0.989 Precision: all: 0.47 allw: 0.864 <3: 0.96 <3w: 0.983 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.992 Model 16 Recall: 0.989 Precision: all: 0.473 allw: 0.857 <3: 0.96 <3w: 0.979 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.989 Model 17 Recall: 0.982 Precision: all: 0.471 allw: 0.85 <3: 0.96 <3w: 0.983 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.911 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 18 Recall: 0.988 Precision: all: 0.473 allw: 0.863 <3: 0.96 <3w: 0.981 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 19 Recall: 0.987 Precision: all: 0.481 allw: 0.865 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 20 Recall: 0.988 Precision: all: 0.471 allw: 0.865 <3: 0.961 <3w: 0.983 F-measure:(Recall,Precision) 0.638 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 For freely-rotating-chain model: Model ave Inconsistent score: 0.301(826/2743) Model ave Missing interactions: 0.347 (731/2109) weighted: 0.101 (1.68e+05/1.67e+06) <3: 0.0408 (26/638) <3w: 0.025 (3.05e+04/1.22e+06) Recall: 0.699 Precision: all: 0.653 allw: 0.899 F-measure:(RecallFree,PrecisionFree) 0.675 F-measure:(ReallFree,PrecisionFreeW) 0.787 Final M-score 0.0755 75/993 Model ave Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.928 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.945 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.806 Model 1 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.848 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.979 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.619 Model 2 Final Recall-score for input query structures: 0.968 Final Precision-score for input query structures: 0.862 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.983 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.912 F-score of ideal true structures: 0.992 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.658 Model 3 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.886 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.708 Model 4 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.867 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.914 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.672 Model 5 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.882 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.922 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.707 Model 6 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.883 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.983 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.922 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.704 Model 7 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.868 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.914 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.672 Model 8 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.868 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.983 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.912 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.661 Model 9 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.872 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.983 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.915 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.674 Model 10 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.864 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.91 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.655 Model 11 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.877 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.918 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.69 Model 12 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.87 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.916 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.678 Model 13 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.874 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.983 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.916 F-score of ideal true structures: 0.992 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.675 Model 14 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.878 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.92 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.695 Model 15 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.879 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.983 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.92 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.695 Model 16 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.868 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.979 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.915 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.68 Model 17 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.866 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.983 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.911 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.657 Model 18 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.877 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.918 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.687 Model 19 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.877 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.918 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.687 Model 20 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.878 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.983 Final Recall-score for freely-rotating-chain model: 0.658 Final Precision-score for freely-rotating-chain model: 0.892 Summary: F-score of input query structures: 0.92 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.695 Statistics: =========== NOESY_Assign: User CPU Time: 51.1 sec. Syst CPU Time: 0.78 sec. Other Processes: User CPU Time: 0.64 sec. Syst CPU Time: 0.05 sec. Total Elapsed Time: 52.6 sec.