# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 10:35:55 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR5546A_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR5546A_R3Cons_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: 0.0802(125/1559) Model 1 Inconsistent score: 0.0795(124/1559) Model 2 Inconsistent score: 0.0757(118/1559) Model 3 Inconsistent score: 0.0693(108/1559) Model 4 Inconsistent score: 0.0763(119/1559) Model 5 Inconsistent score: 0.077(120/1559) Model 6 Inconsistent score: 0.0789(123/1559) Model 7 Inconsistent score: 0.0795(124/1559) Model 8 Inconsistent score: 0.0641(100/1559) Model 9 Inconsistent score: 0.077(120/1559) Model 10 Inconsistent score: 0.0821(128/1559) Model 11 Inconsistent score: 0.0674(105/1559) Model 12 Inconsistent score: 0.0783(122/1559) Model 13 Inconsistent score: 0.0802(125/1559) Model 14 Inconsistent score: 0.0706(110/1559) Model 15 Inconsistent score: 0.0731(114/1559) Model 16 Inconsistent score: 0.0821(128/1559) Model 17 Inconsistent score: 0.0738(115/1559) Model 18 Inconsistent score: 0.0712(111/1559) Model 19 Inconsistent score: 0.0731(114/1559) Model 20 Inconsistent score: 0.0699(109/1559) Model ave Missing interactions: 0.236 (396/1678) weighted: 0.0397 (1.66e+05/4.18e+06) <3: 0.0297 (6/202) <3w: 0.0165 (2.1e+04/1.27e+06) Model 1 Missing interactions: 0.307 (593/1929) weighted: 0.0768 (4.33e+05/5.63e+06) <3: 0.0255 (5/196) <3w: 0.0125 (1.61e+04/1.28e+06) Model 2 Missing interactions: 0.318 (632/1989) weighted: 0.0868 (4.92e+05/5.67e+06) <3: 0.02 (4/200) <3w: 0.021 (2.65e+04/1.26e+06) Model 3 Missing interactions: 0.307 (603/1967) weighted: 0.0708 (3.81e+05/5.39e+06) <3: 0.0249 (5/201) <3w: 0.0115 (1.53e+04/1.34e+06) Model 4 Missing interactions: 0.296 (570/1924) weighted: 0.0833 (4.55e+05/5.47e+06) <3: 0.0246 (5/203) <3w: 0.0129 (1.68e+04/1.3e+06) Model 5 Missing interactions: 0.301 (575/1913) weighted: 0.0674 (3.62e+05/5.37e+06) <3: 0.0248 (5/202) <3w: 0.00998 (1.28e+04/1.29e+06) Model 6 Missing interactions: 0.295 (560/1897) weighted: 0.0857 (4.85e+05/5.67e+06) <3: 0.0198 (4/202) <3w: 0.0123 (1.59e+04/1.3e+06) Model 7 Missing interactions: 0.304 (575/1893) weighted: 0.0729 (4.03e+05/5.53e+06) <3: 0.0253 (5/198) <3w: 0.0119 (1.54e+04/1.29e+06) Model 8 Missing interactions: 0.31 (612/1973) weighted: 0.0764 (4.28e+05/5.6e+06) <3: 0.025 (5/200) <3w: 0.0108 (1.37e+04/1.26e+06) Model 9 Missing interactions: 0.29 (557/1918) weighted: 0.0655 (3.64e+05/5.56e+06) <3: 0.0197 (4/203) <3w: 0.0103 (1.35e+04/1.31e+06) Model 10 Missing interactions: 0.305 (594/1947) weighted: 0.0623 (3.45e+05/5.53e+06) <3: 0.02 (4/200) <3w: 0.00995 (1.28e+04/1.29e+06) Model 11 Missing interactions: 0.309 (608/1970) weighted: 0.0901 (4.98e+05/5.53e+06) <3: 0.0248 (5/202) <3w: 0.0119 (1.51e+04/1.27e+06) Model 12 Missing interactions: 0.298 (576/1935) weighted: 0.0862 (4.78e+05/5.55e+06) <3: 0.0254 (5/197) <3w: 0.0109 (1.41e+04/1.3e+06) Model 13 Missing interactions: 0.299 (567/1895) weighted: 0.0777 (4.33e+05/5.58e+06) <3: 0.0198 (4/202) <3w: 0.0116 (1.49e+04/1.29e+06) Model 14 Missing interactions: 0.295 (572/1939) weighted: 0.0662 (3.56e+05/5.39e+06) <3: 0.0249 (5/201) <3w: 0.0113 (1.45e+04/1.28e+06) Model 15 Missing interactions: 0.308 (600/1945) weighted: 0.084 (4.75e+05/5.65e+06) <3: 0.0293 (6/205) <3w: 0.0123 (1.6e+04/1.3e+06) Model 16 Missing interactions: 0.3 (579/1931) weighted: 0.0791 (4.39e+05/5.56e+06) <3: 0.0201 (4/199) <3w: 0.0107 (1.36e+04/1.27e+06) Model 17 Missing interactions: 0.295 (565/1918) weighted: 0.078 (4.32e+05/5.54e+06) <3: 0.0198 (4/202) <3w: 0.0128 (1.61e+04/1.26e+06) Model 18 Missing interactions: 0.302 (595/1967) weighted: 0.0923 (5.26e+05/5.7e+06) <3: 0.0202 (4/198) <3w: 0.0115 (1.51e+04/1.31e+06) Model 19 Missing interactions: 0.312 (618/1982) weighted: 0.0787 (4.28e+05/5.45e+06) <3: 0.025 (5/200) <3w: 0.0108 (1.39e+04/1.28e+06) Model 20 Missing interactions: 0.298 (586/1967) weighted: 0.0865 (4.81e+05/5.55e+06) <3: 0.0248 (5/202) <3w: 0.0195 (2.58e+04/1.32e+06) Model ave Recall: 0.92 Precision: all: 0.764 allw: 0.96 <3: 0.97 <3w: 0.984 F-measure:(Recall,Precision) 0.835 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.992 Model 1 Recall: 0.92 Precision: all: 0.693 allw: 0.923 <3: 0.974 <3w: 0.987 F-measure:(Recall,Precision) 0.79 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.994 Model 2 Recall: 0.924 Precision: all: 0.682 allw: 0.913 <3: 0.98 <3w: 0.979 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.989 Model 3 Recall: 0.931 Precision: all: 0.693 allw: 0.929 <3: 0.975 <3w: 0.989 F-measure:(Recall,Precision) 0.795 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.994 Model 4 Recall: 0.924 Precision: all: 0.704 allw: 0.917 <3: 0.975 <3w: 0.987 F-measure:(Recall,Precision) 0.799 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.988 F-measure:(0,PrecisionIdealW) 0.993 Model 5 Recall: 0.923 Precision: all: 0.699 allw: 0.933 <3: 0.975 <3w: 0.99 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.995 Model 6 Recall: 0.921 Precision: all: 0.705 allw: 0.914 <3: 0.98 <3w: 0.988 F-measure:(Recall,Precision) 0.799 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.994 Model 7 Recall: 0.92 Precision: all: 0.696 allw: 0.927 <3: 0.975 <3w: 0.988 F-measure:(Recall,Precision) 0.793 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.994 Model 8 Recall: 0.936 Precision: all: 0.69 allw: 0.924 <3: 0.975 <3w: 0.989 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.995 Model 9 Recall: 0.923 Precision: all: 0.71 allw: 0.934 <3: 0.98 <3w: 0.99 F-measure:(Recall,Precision) 0.802 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.995 Model 10 Recall: 0.918 Precision: all: 0.695 allw: 0.938 <3: 0.98 <3w: 0.99 F-measure:(Recall,Precision) 0.791 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.995 Model 11 Recall: 0.933 Precision: all: 0.691 allw: 0.91 <3: 0.975 <3w: 0.988 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.994 Model 12 Recall: 0.922 Precision: all: 0.702 allw: 0.914 <3: 0.975 <3w: 0.989 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.995 Model 13 Recall: 0.92 Precision: all: 0.701 allw: 0.922 <3: 0.98 <3w: 0.988 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.994 Model 14 Recall: 0.929 Precision: all: 0.705 allw: 0.934 <3: 0.975 <3w: 0.989 F-measure:(Recall,Precision) 0.802 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.994 Model 15 Recall: 0.927 Precision: all: 0.692 allw: 0.916 <3: 0.971 <3w: 0.988 F-measure:(Recall,Precision) 0.792 F-measure:(Recall,PrecisionW) 0.921 F-measure:(0,PrecisionIdeal) 0.985 F-measure:(0,PrecisionIdealW) 0.994 Model 16 Recall: 0.918 Precision: all: 0.7 allw: 0.921 <3: 0.98 <3w: 0.989 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.995 Model 17 Recall: 0.926 Precision: all: 0.705 allw: 0.922 <3: 0.98 <3w: 0.987 F-measure:(Recall,Precision) 0.801 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.994 Model 18 Recall: 0.929 Precision: all: 0.698 allw: 0.908 <3: 0.98 <3w: 0.988 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.994 Model 19 Recall: 0.927 Precision: all: 0.688 allw: 0.921 <3: 0.975 <3w: 0.989 F-measure:(Recall,Precision) 0.79 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.995 Model 20 Recall: 0.93 Precision: all: 0.702 allw: 0.913 <3: 0.975 <3w: 0.98 F-measure:(Recall,Precision) 0.8 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.987 F-measure:(0,PrecisionIdealW) 0.99 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: 0.0546(10/183) Model 2 Inconsistent score: 0.0219(4/183) Model 3 Inconsistent score: 0.0219(4/183) Model 4 Inconsistent score: 0.0109(2/183) Model 5 Inconsistent score: 0.0164(3/183) Model 6 Inconsistent score: 0.0383(7/183) Model 7 Inconsistent score: 0.0437(8/183) Model 8 Inconsistent score: 0.0273(5/183) Model 9 Inconsistent score: 0.0492(9/183) Model 10 Inconsistent score: 0.0273(5/183) Model 11 Inconsistent score: 0.0437(8/183) Model 12 Inconsistent score: 0.0437(8/183) Model 13 Inconsistent score: 0.0383(7/183) Model 14 Inconsistent score: 0.0437(8/183) Model 15 Inconsistent score: 0.0164(3/183) Model 16 Inconsistent score: 0.0273(5/183) Model 17 Inconsistent score: 0.0219(4/183) Model 18 Inconsistent score: 0.0219(4/183) Model 19 Inconsistent score: 0.0219(4/183) Model 20 Inconsistent score: 0.0383(7/183) Model ave Missing interactions: 0.546 (221/405) weighted: 0.234 (8.13e+04/3.48e+05) <3: 0.432 (16/37) <3w: 0.109 (1.18e+04/1.08e+05) Model 1 Missing interactions: 0.636 (283/445) weighted: 0.399 (2.59e+05/6.48e+05) <3: 0.364 (12/33) <3w: 0.105 (1.09e+04/1.04e+05) Model 2 Missing interactions: 0.631 (313/496) weighted: 0.336 (2.35e+05/7.01e+05) <3: 0.344 (11/32) <3w: 0.112 (1.21e+04/1.07e+05) Model 3 Missing interactions: 0.637 (325/510) weighted: 0.353 (2.53e+05/7.16e+05) <3: 0.364 (12/33) <3w: 0.104 (1.09e+04/1.05e+05) Model 4 Missing interactions: 0.61 (302/495) weighted: 0.329 (2.21e+05/6.71e+05) <3: 0.364 (12/33) <3w: 0.103 (1.09e+04/1.06e+05) Model 5 Missing interactions: 0.621 (297/478) weighted: 0.356 (2.45e+05/6.89e+05) <3: 0.382 (13/34) <3w: 0.106 (1.12e+04/1.06e+05) Model 6 Missing interactions: 0.615 (289/470) weighted: 0.437 (3.14e+05/7.2e+05) <3: 0.344 (11/32) <3w: 0.113 (1.21e+04/1.06e+05) Model 7 Missing interactions: 0.622 (291/468) weighted: 0.384 (2.68e+05/6.99e+05) <3: 0.417 (15/36) <3w: 0.113 (1.23e+04/1.09e+05) Model 8 Missing interactions: 0.606 (295/487) weighted: 0.335 (2.4e+05/7.17e+05) <3: 0.382 (13/34) <3w: 0.106 (1.12e+04/1.06e+05) Model 9 Missing interactions: 0.613 (290/473) weighted: 0.334 (1.97e+05/5.9e+05) <3: 0.364 (12/33) <3w: 0.114 (1.21e+04/1.07e+05) Model 10 Missing interactions: 0.604 (276/457) weighted: 0.339 (2.43e+05/7.17e+05) <3: 0.344 (11/32) <3w: 0.113 (1.21e+04/1.06e+05) Model 11 Missing interactions: 0.642 (315/491) weighted: 0.415 (2.82e+05/6.79e+05) <3: 0.364 (12/33) <3w: 0.104 (1.09e+04/1.05e+05) Model 12 Missing interactions: 0.605 (283/468) weighted: 0.321 (2.12e+05/6.6e+05) <3: 0.364 (12/33) <3w: 0.114 (1.21e+04/1.06e+05) Model 13 Missing interactions: 0.619 (296/478) weighted: 0.384 (2.72e+05/7.08e+05) <3: 0.364 (12/33) <3w: 0.114 (1.21e+04/1.07e+05) Model 14 Missing interactions: 0.592 (258/436) weighted: 0.349 (2.32e+05/6.66e+05) <3: 0.417 (15/36) <3w: 0.112 (1.23e+04/1.1e+05) Model 15 Missing interactions: 0.618 (299/484) weighted: 0.302 (1.93e+05/6.38e+05) <3: 0.432 (16/37) <3w: 0.104 (1.12e+04/1.08e+05) Model 16 Missing interactions: 0.617 (297/481) weighted: 0.329 (2.27e+05/6.88e+05) <3: 0.344 (11/32) <3w: 0.114 (1.2e+04/1.06e+05) Model 17 Missing interactions: 0.615 (296/481) weighted: 0.301 (1.99e+05/6.63e+05) <3: 0.344 (11/32) <3w: 0.114 (1.2e+04/1.06e+05) Model 18 Missing interactions: 0.598 (292/488) weighted: 0.369 (2.64e+05/7.17e+05) <3: 0.344 (11/32) <3w: 0.113 (1.21e+04/1.07e+05) Model 19 Missing interactions: 0.623 (316/507) weighted: 0.357 (2.37e+05/6.65e+05) <3: 0.382 (13/34) <3w: 0.103 (1.1e+04/1.07e+05) Model 20 Missing interactions: 0.651 (336/516) weighted: 0.375 (2.81e+05/7.49e+05) <3: 0.4 (14/35) <3w: 0.113 (1.22e+04/1.08e+05) Model ave Recall: 1 Precision: all: 0.454 allw: 0.766 <3: 0.568 <3w: 0.891 F-measure:(Recall,Precision) 0.625 F-measure:(Recall,PrecisionW) 0.868 F-measure:(0,PrecisionIdeal) 0.724 F-measure:(0,PrecisionIdealW) 0.942 Model 1 Recall: 0.945 Precision: all: 0.364 allw: 0.601 <3: 0.636 <3w: 0.895 F-measure:(Recall,Precision) 0.526 F-measure:(Recall,PrecisionW) 0.735 F-measure:(0,PrecisionIdeal) 0.778 F-measure:(0,PrecisionIdealW) 0.945 Model 2 Recall: 0.978 Precision: all: 0.369 allw: 0.664 <3: 0.656 <3w: 0.888 F-measure:(Recall,Precision) 0.536 F-measure:(Recall,PrecisionW) 0.791 F-measure:(0,PrecisionIdeal) 0.792 F-measure:(0,PrecisionIdealW) 0.941 Model 3 Recall: 0.978 Precision: all: 0.363 allw: 0.647 <3: 0.636 <3w: 0.896 F-measure:(Recall,Precision) 0.529 F-measure:(Recall,PrecisionW) 0.779 F-measure:(0,PrecisionIdeal) 0.778 F-measure:(0,PrecisionIdealW) 0.945 Model 4 Recall: 0.989 Precision: all: 0.39 allw: 0.671 <3: 0.636 <3w: 0.897 F-measure:(Recall,Precision) 0.559 F-measure:(Recall,PrecisionW) 0.8 F-measure:(0,PrecisionIdeal) 0.778 F-measure:(0,PrecisionIdealW) 0.946 Model 5 Recall: 0.984 Precision: all: 0.379 allw: 0.644 <3: 0.618 <3w: 0.894 F-measure:(Recall,Precision) 0.547 F-measure:(Recall,PrecisionW) 0.779 F-measure:(0,PrecisionIdeal) 0.764 F-measure:(0,PrecisionIdealW) 0.944 Model 6 Recall: 0.962 Precision: all: 0.385 allw: 0.563 <3: 0.656 <3w: 0.887 F-measure:(Recall,Precision) 0.55 F-measure:(Recall,PrecisionW) 0.71 F-measure:(0,PrecisionIdeal) 0.792 F-measure:(0,PrecisionIdealW) 0.94 Model 7 Recall: 0.956 Precision: all: 0.378 allw: 0.616 <3: 0.583 <3w: 0.887 F-measure:(Recall,Precision) 0.542 F-measure:(Recall,PrecisionW) 0.75 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.94 Model 8 Recall: 0.973 Precision: all: 0.394 allw: 0.665 <3: 0.618 <3w: 0.894 F-measure:(Recall,Precision) 0.561 F-measure:(Recall,PrecisionW) 0.79 F-measure:(0,PrecisionIdeal) 0.764 F-measure:(0,PrecisionIdealW) 0.944 Model 9 Recall: 0.951 Precision: all: 0.387 allw: 0.666 <3: 0.636 <3w: 0.886 F-measure:(Recall,Precision) 0.55 F-measure:(Recall,PrecisionW) 0.783 F-measure:(0,PrecisionIdeal) 0.778 F-measure:(0,PrecisionIdealW) 0.94 Model 10 Recall: 0.973 Precision: all: 0.396 allw: 0.661 <3: 0.656 <3w: 0.887 F-measure:(Recall,Precision) 0.563 F-measure:(Recall,PrecisionW) 0.787 F-measure:(0,PrecisionIdeal) 0.792 F-measure:(0,PrecisionIdealW) 0.94 Model 11 Recall: 0.956 Precision: all: 0.358 allw: 0.585 <3: 0.636 <3w: 0.896 F-measure:(Recall,Precision) 0.521 F-measure:(Recall,PrecisionW) 0.726 F-measure:(0,PrecisionIdeal) 0.778 F-measure:(0,PrecisionIdealW) 0.945 Model 12 Recall: 0.956 Precision: all: 0.395 allw: 0.679 <3: 0.636 <3w: 0.886 F-measure:(Recall,Precision) 0.559 F-measure:(Recall,PrecisionW) 0.794 F-measure:(0,PrecisionIdeal) 0.778 F-measure:(0,PrecisionIdealW) 0.939 Model 13 Recall: 0.962 Precision: all: 0.381 allw: 0.616 <3: 0.636 <3w: 0.886 F-measure:(Recall,Precision) 0.546 F-measure:(Recall,PrecisionW) 0.751 F-measure:(0,PrecisionIdeal) 0.778 F-measure:(0,PrecisionIdealW) 0.94 Model 14 Recall: 0.956 Precision: all: 0.408 allw: 0.651 <3: 0.583 <3w: 0.888 F-measure:(Recall,Precision) 0.572 F-measure:(Recall,PrecisionW) 0.775 F-measure:(0,PrecisionIdeal) 0.737 F-measure:(0,PrecisionIdealW) 0.941 Model 15 Recall: 0.984 Precision: all: 0.382 allw: 0.698 <3: 0.568 <3w: 0.896 F-measure:(Recall,Precision) 0.551 F-measure:(Recall,PrecisionW) 0.816 F-measure:(0,PrecisionIdeal) 0.724 F-measure:(0,PrecisionIdealW) 0.945 Model 16 Recall: 0.973 Precision: all: 0.383 allw: 0.671 <3: 0.656 <3w: 0.886 F-measure:(Recall,Precision) 0.549 F-measure:(Recall,PrecisionW) 0.794 F-measure:(0,PrecisionIdeal) 0.792 F-measure:(0,PrecisionIdealW) 0.94 Model 17 Recall: 0.978 Precision: all: 0.385 allw: 0.699 <3: 0.656 <3w: 0.886 F-measure:(Recall,Precision) 0.552 F-measure:(Recall,PrecisionW) 0.816 F-measure:(0,PrecisionIdeal) 0.792 F-measure:(0,PrecisionIdealW) 0.94 Model 18 Recall: 0.978 Precision: all: 0.402 allw: 0.631 <3: 0.656 <3w: 0.887 F-measure:(Recall,Precision) 0.569 F-measure:(Recall,PrecisionW) 0.767 F-measure:(0,PrecisionIdeal) 0.792 F-measure:(0,PrecisionIdealW) 0.94 Model 19 Recall: 0.978 Precision: all: 0.377 allw: 0.643 <3: 0.618 <3w: 0.897 F-measure:(Recall,Precision) 0.544 F-measure:(Recall,PrecisionW) 0.776 F-measure:(0,PrecisionIdeal) 0.764 F-measure:(0,PrecisionIdealW) 0.945 Model 20 Recall: 0.962 Precision: all: 0.349 allw: 0.625 <3: 0.6 <3w: 0.887 F-measure:(Recall,Precision) 0.512 F-measure:(Recall,PrecisionW) 0.758 F-measure:(0,PrecisionIdeal) 0.75 F-measure:(0,PrecisionIdealW) 0.94 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: 0.0113(31/2743) Model 1 Inconsistent score: 0.0149(41/2743) Model 2 Inconsistent score: 0.00875(24/2743) Model 3 Inconsistent score: 0.0117(32/2743) Model 4 Inconsistent score: 0.0139(38/2743) Model 5 Inconsistent score: 0.0135(37/2743) Model 6 Inconsistent score: 0.0168(46/2743) Model 7 Inconsistent score: 0.0179(49/2743) Model 8 Inconsistent score: 0.0128(35/2743) Model 9 Inconsistent score: 0.0168(46/2743) Model 10 Inconsistent score: 0.0149(41/2743) Model 11 Inconsistent score: 0.0171(47/2743) Model 12 Inconsistent score: 0.0153(42/2743) Model 13 Inconsistent score: 0.0124(34/2743) Model 14 Inconsistent score: 0.0164(45/2743) Model 15 Inconsistent score: 0.0131(36/2743) Model 16 Inconsistent score: 0.0135(37/2743) Model 17 Inconsistent score: 0.0113(31/2743) Model 18 Inconsistent score: 0.0182(50/2743) Model 19 Inconsistent score: 0.0109(30/2743) Model 20 Inconsistent score: 0.0135(37/2743) Model ave Missing interactions: 0.49 (2.31e+03/4708) weighted: 0.0768 (9.3e+05/1.21e+07) <3: 0.0397 (26/655) <3w: 0.0187 (1.33e+05/7.1e+06) Model 1 Missing interactions: 0.542 (2.92e+03/5400) weighted: 0.154 (2.52e+06/1.63e+07) <3: 0.0399 (26/651) <3w: 0.0193 (1.41e+05/7.3e+06) Model 2 Missing interactions: 0.541 (2.96e+03/5463) weighted: 0.151 (2.38e+06/1.57e+07) <3: 0.0395 (26/658) <3w: 0.017 (1.23e+05/7.22e+06) Model 3 Missing interactions: 0.538 (2.9e+03/5390) weighted: 0.149 (2.35e+06/1.58e+07) <3: 0.0396 (26/656) <3w: 0.0186 (1.36e+05/7.3e+06) Model 4 Missing interactions: 0.543 (2.97e+03/5473) weighted: 0.155 (2.46e+06/1.59e+07) <3: 0.0395 (26/658) <3w: 0.0218 (1.58e+05/7.27e+06) Model 5 Missing interactions: 0.535 (2.86e+03/5336) weighted: 0.155 (2.43e+06/1.56e+07) <3: 0.0398 (26/654) <3w: 0.0169 (1.22e+05/7.25e+06) Model 6 Missing interactions: 0.534 (2.88e+03/5390) weighted: 0.154 (2.46e+06/1.6e+07) <3: 0.0395 (26/658) <3w: 0.0175 (1.27e+05/7.26e+06) Model 7 Missing interactions: 0.532 (2.81e+03/5288) weighted: 0.156 (2.48e+06/1.59e+07) <3: 0.0399 (26/652) <3w: 0.0185 (1.34e+05/7.27e+06) Model 8 Missing interactions: 0.539 (2.9e+03/5388) weighted: 0.158 (2.57e+06/1.63e+07) <3: 0.0398 (26/654) <3w: 0.0184 (1.33e+05/7.26e+06) Model 9 Missing interactions: 0.543 (2.94e+03/5420) weighted: 0.155 (2.45e+06/1.58e+07) <3: 0.0395 (26/658) <3w: 0.0179 (1.3e+05/7.26e+06) Model 10 Missing interactions: 0.54 (2.86e+03/5302) weighted: 0.149 (2.34e+06/1.57e+07) <3: 0.0396 (26/656) <3w: 0.0176 (1.28e+05/7.31e+06) Model 11 Missing interactions: 0.539 (2.93e+03/5435) weighted: 0.156 (2.46e+06/1.58e+07) <3: 0.0396 (26/657) <3w: 0.0174 (1.26e+05/7.27e+06) Model 12 Missing interactions: 0.534 (2.85e+03/5330) weighted: 0.148 (2.36e+06/1.59e+07) <3: 0.0399 (26/652) <3w: 0.0203 (1.49e+05/7.31e+06) Model 13 Missing interactions: 0.54 (2.96e+03/5475) weighted: 0.148 (2.36e+06/1.6e+07) <3: 0.0396 (26/657) <3w: 0.0197 (1.43e+05/7.26e+06) Model 14 Missing interactions: 0.533 (2.85e+03/5343) weighted: 0.153 (2.45e+06/1.6e+07) <3: 0.0397 (26/655) <3w: 0.0183 (1.33e+05/7.28e+06) Model 15 Missing interactions: 0.546 (3.02e+03/5525) weighted: 0.155 (2.52e+06/1.62e+07) <3: 0.0394 (26/660) <3w: 0.0176 (1.27e+05/7.21e+06) Model 16 Missing interactions: 0.532 (2.85e+03/5368) weighted: 0.137 (2.15e+06/1.57e+07) <3: 0.0397 (26/655) <3w: 0.0178 (1.29e+05/7.24e+06) Model 17 Missing interactions: 0.54 (2.93e+03/5428) weighted: 0.15 (2.39e+06/1.6e+07) <3: 0.0396 (26/656) <3w: 0.0177 (1.28e+05/7.22e+06) Model 18 Missing interactions: 0.541 (2.93e+03/5410) weighted: 0.159 (2.56e+06/1.61e+07) <3: 0.0398 (26/654) <3w: 0.0199 (1.45e+05/7.27e+06) Model 19 Missing interactions: 0.541 (2.98e+03/5505) weighted: 0.15 (2.38e+06/1.59e+07) <3: 0.0398 (26/654) <3w: 0.0177 (1.28e+05/7.27e+06) Model 20 Missing interactions: 0.538 (2.94e+03/5467) weighted: 0.15 (2.38e+06/1.59e+07) <3: 0.0397 (26/655) <3w: 0.0165 (1.21e+05/7.32e+06) Model ave Recall: 0.989 Precision: all: 0.51 allw: 0.923 <3: 0.96 <3w: 0.981 F-measure:(Recall,Precision) 0.673 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 1 Recall: 0.985 Precision: all: 0.458 allw: 0.846 <3: 0.96 <3w: 0.981 F-measure:(Recall,Precision) 0.626 F-measure:(Recall,PrecisionW) 0.91 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.99 Model 2 Recall: 0.991 Precision: all: 0.459 allw: 0.849 <3: 0.96 <3w: 0.983 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.914 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 3 Recall: 0.988 Precision: all: 0.462 allw: 0.851 <3: 0.96 <3w: 0.981 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.915 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 4 Recall: 0.986 Precision: all: 0.457 allw: 0.845 <3: 0.96 <3w: 0.978 F-measure:(Recall,Precision) 0.625 F-measure:(Recall,PrecisionW) 0.91 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.989 Model 5 Recall: 0.987 Precision: all: 0.465 allw: 0.845 <3: 0.96 <3w: 0.983 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.91 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 6 Recall: 0.983 Precision: all: 0.466 allw: 0.846 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.91 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 7 Recall: 0.982 Precision: all: 0.468 allw: 0.844 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.634 F-measure:(Recall,PrecisionW) 0.908 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 8 Recall: 0.987 Precision: all: 0.461 allw: 0.842 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.909 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 9 Recall: 0.983 Precision: all: 0.457 allw: 0.845 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.624 F-measure:(Recall,PrecisionW) 0.909 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 10 Recall: 0.985 Precision: all: 0.46 allw: 0.851 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 11 Recall: 0.983 Precision: all: 0.461 allw: 0.844 <3: 0.96 <3w: 0.983 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.908 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 12 Recall: 0.985 Precision: all: 0.466 allw: 0.852 <3: 0.96 <3w: 0.98 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.99 Model 13 Recall: 0.988 Precision: all: 0.46 allw: 0.852 <3: 0.96 <3w: 0.98 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.915 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.99 Model 14 Recall: 0.984 Precision: all: 0.467 allw: 0.847 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.91 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 15 Recall: 0.987 Precision: all: 0.454 allw: 0.845 <3: 0.961 <3w: 0.982 F-measure:(Recall,Precision) 0.622 F-measure:(Recall,PrecisionW) 0.91 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 16 Recall: 0.987 Precision: all: 0.468 allw: 0.863 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.635 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 17 Recall: 0.989 Precision: all: 0.46 allw: 0.85 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.914 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 18 Recall: 0.982 Precision: all: 0.459 allw: 0.841 <3: 0.96 <3w: 0.98 F-measure:(Recall,Precision) 0.625 F-measure:(Recall,PrecisionW) 0.906 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.99 Model 19 Recall: 0.989 Precision: all: 0.459 allw: 0.85 <3: 0.96 <3w: 0.982 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.914 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.991 Model 20 Recall: 0.987 Precision: all: 0.462 allw: 0.85 <3: 0.96 <3w: 0.983 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.992 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: 0.965 Final Precision-score for input query structures: 0.929 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: 0.947 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.815 Model 1 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.858 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 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: 0.907 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.642 Model 2 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.859 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 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: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.652 Model 3 Final Recall-score for input query structures: 0.968 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: 0.913 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.665 Model 4 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.857 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.979 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: 0.908 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.649 Model 5 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.86 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: 0.909 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.648 Model 6 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.854 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.904 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.627 Model 7 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.858 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 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: 0.906 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.635 Model 8 Final Recall-score for input query structures: 0.969 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.909 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.648 Model 9 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.863 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: 0.909 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.648 Model 10 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.867 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.911 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.657 Model 11 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.853 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: 0.905 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.631 Model 12 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.862 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 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: 0.909 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.651 Model 13 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.862 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 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: 0.91 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.655 Model 14 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.862 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.91 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.652 Model 15 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.858 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.909 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.648 Model 16 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.871 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: 0.915 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.674 Model 17 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.864 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.912 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.661 Model 18 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.851 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: 0.904 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.629 Model 19 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.862 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.911 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.657 Model 20 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.858 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.909 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.648 Statistics: =========== NOESY_Assign: User CPU Time: 51.9 sec. Syst CPU Time: 0.79 sec. Other Processes: User CPU Time: 0.62 sec. Syst CPU Time: 0.05 sec. Total Elapsed Time: 53.5 sec.