# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 15:48:44 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/PSR293_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q PSR293_NMR_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 168 Number of peaks NOT matched in the Peak List: 25 M score = 0.15 Average shift in HX: -0.005 Average ab-shift in HX: 0.0055(Assignment used: 111) Average shift in X: -0.0052 Average ab-shift in X: 0.033(Assignment used: 105) Average shift in HX2: -0.0027 Average ab-shift in HX2: 0.0092(Assignment used: 137) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0904(122/1349) Model 1 Inconsistent score: 0.0897(121/1349) Model 2 Inconsistent score: 0.0882(119/1349) Model 3 Inconsistent score: 0.0919(124/1349) Model 4 Inconsistent score: 0.0897(121/1349) Model 5 Inconsistent score: 0.0904(122/1349) Model 6 Inconsistent score: 0.0882(119/1349) Model 7 Inconsistent score: 0.0912(123/1349) Model 8 Inconsistent score: 0.0927(125/1349) Model 9 Inconsistent score: 0.0852(115/1349) Model 10 Inconsistent score: 0.083(112/1349) Model 11 Inconsistent score: 0.0882(119/1349) Model 12 Inconsistent score: 0.0919(124/1349) Model 13 Inconsistent score: 0.0823(111/1349) Model 14 Inconsistent score: 0.0875(118/1349) Model 15 Inconsistent score: 0.086(116/1349) Model 16 Inconsistent score: 0.0927(125/1349) Model 17 Inconsistent score: 0.0956(129/1349) Model 18 Inconsistent score: 0.0845(114/1349) Model 19 Inconsistent score: 0.0852(115/1349) Model 20 Inconsistent score: 0.083(112/1349) Model ave Missing interactions: 0.314 (520/1655) weighted: 0.0935 (3.71e+05/3.97e+06) <3: 0.101 (18/179) <3w: 0.15 (1.67e+05/1.11e+06) Model 1 Missing interactions: 0.341 (590/1729) weighted: 0.128 (6.49e+05/5.05e+06) <3: 0.101 (18/179) <3w: 0.15 (1.71e+05/1.14e+06) Model 2 Missing interactions: 0.35 (627/1791) weighted: 0.162 (8.51e+05/5.25e+06) <3: 0.0984 (18/183) <3w: 0.143 (1.65e+05/1.16e+06) Model 3 Missing interactions: 0.328 (566/1723) weighted: 0.139 (7.24e+05/5.22e+06) <3: 0.101 (18/179) <3w: 0.143 (1.72e+05/1.2e+06) Model 4 Missing interactions: 0.335 (587/1750) weighted: 0.111 (5.56e+05/5.01e+06) <3: 0.0984 (18/183) <3w: 0.152 (1.68e+05/1.11e+06) Model 5 Missing interactions: 0.342 (598/1748) weighted: 0.123 (6.31e+05/5.12e+06) <3: 0.101 (18/178) <3w: 0.139 (1.66e+05/1.19e+06) Model 6 Missing interactions: 0.346 (607/1753) weighted: 0.127 (6.62e+05/5.23e+06) <3: 0.101 (18/179) <3w: 0.149 (1.7e+05/1.14e+06) Model 7 Missing interactions: 0.328 (565/1721) weighted: 0.11 (5.7e+05/5.18e+06) <3: 0.1 (18/180) <3w: 0.137 (1.62e+05/1.18e+06) Model 8 Missing interactions: 0.338 (582/1722) weighted: 0.133 (6.75e+05/5.07e+06) <3: 0.1 (18/180) <3w: 0.14 (1.65e+05/1.18e+06) Model 9 Missing interactions: 0.346 (616/1780) weighted: 0.113 (5.88e+05/5.19e+06) <3: 0.0968 (18/186) <3w: 0.153 (1.74e+05/1.14e+06) Model 10 Missing interactions: 0.356 (641/1799) weighted: 0.129 (6.74e+05/5.23e+06) <3: 0.1 (18/180) <3w: 0.145 (1.66e+05/1.15e+06) Model 11 Missing interactions: 0.338 (594/1758) weighted: 0.135 (7.11e+05/5.26e+06) <3: 0.0963 (18/187) <3w: 0.157 (1.74e+05/1.11e+06) Model 12 Missing interactions: 0.339 (594/1753) weighted: 0.119 (6.15e+05/5.15e+06) <3: 0.102 (18/177) <3w: 0.15 (1.66e+05/1.1e+06) Model 13 Missing interactions: 0.346 (611/1764) weighted: 0.121 (6.07e+05/5.01e+06) <3: 0.0978 (18/184) <3w: 0.145 (1.66e+05/1.14e+06) Model 14 Missing interactions: 0.338 (590/1743) weighted: 0.12 (6.29e+05/5.22e+06) <3: 0.1 (18/180) <3w: 0.143 (1.65e+05/1.15e+06) Model 15 Missing interactions: 0.344 (605/1760) weighted: 0.129 (6.55e+05/5.06e+06) <3: 0.0994 (18/181) <3w: 0.15 (1.68e+05/1.12e+06) Model 16 Missing interactions: 0.342 (599/1751) weighted: 0.123 (6.2e+05/5.04e+06) <3: 0.0989 (18/182) <3w: 0.149 (1.68e+05/1.13e+06) Model 17 Missing interactions: 0.345 (606/1755) weighted: 0.137 (7.25e+05/5.3e+06) <3: 0.0994 (18/181) <3w: 0.148 (1.7e+05/1.15e+06) Model 18 Missing interactions: 0.348 (627/1801) weighted: 0.137 (7.32e+05/5.33e+06) <3: 0.0973 (18/185) <3w: 0.145 (1.65e+05/1.14e+06) Model 19 Missing interactions: 0.341 (592/1736) weighted: 0.121 (6.08e+05/5.04e+06) <3: 0.101 (18/178) <3w: 0.148 (1.72e+05/1.16e+06) Model 20 Missing interactions: 0.344 (618/1794) weighted: 0.133 (7.18e+05/5.41e+06) <3: 0.1 (18/180) <3w: 0.137 (1.58e+05/1.16e+06) Model ave Recall: 0.91 Precision: all: 0.686 allw: 0.907 <3: 0.899 <3w: 0.85 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.908 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.919 Model 1 Recall: 0.91 Precision: all: 0.659 allw: 0.872 <3: 0.899 <3w: 0.85 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.919 Model 2 Recall: 0.912 Precision: all: 0.65 allw: 0.838 <3: 0.902 <3w: 0.857 F-measure:(Recall,Precision) 0.759 F-measure:(Recall,PrecisionW) 0.873 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.923 Model 3 Recall: 0.908 Precision: all: 0.672 allw: 0.861 <3: 0.899 <3w: 0.857 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.923 Model 4 Recall: 0.91 Precision: all: 0.665 allw: 0.889 <3: 0.902 <3w: 0.848 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.918 Model 5 Recall: 0.91 Precision: all: 0.658 allw: 0.877 <3: 0.899 <3w: 0.861 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.925 Model 6 Recall: 0.912 Precision: all: 0.654 allw: 0.873 <3: 0.899 <3w: 0.851 F-measure:(Recall,Precision) 0.761 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.919 Model 7 Recall: 0.909 Precision: all: 0.672 allw: 0.89 <3: 0.9 <3w: 0.863 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.927 Model 8 Recall: 0.907 Precision: all: 0.662 allw: 0.867 <3: 0.9 <3w: 0.86 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.925 Model 9 Recall: 0.915 Precision: all: 0.654 allw: 0.887 <3: 0.903 <3w: 0.847 F-measure:(Recall,Precision) 0.763 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.917 Model 10 Recall: 0.917 Precision: all: 0.644 allw: 0.871 <3: 0.9 <3w: 0.855 F-measure:(Recall,Precision) 0.756 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.922 Model 11 Recall: 0.912 Precision: all: 0.662 allw: 0.865 <3: 0.904 <3w: 0.843 F-measure:(Recall,Precision) 0.767 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.915 Model 12 Recall: 0.908 Precision: all: 0.661 allw: 0.881 <3: 0.898 <3w: 0.85 F-measure:(Recall,Precision) 0.765 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.946 F-measure:(0,PrecisionIdealW) 0.919 Model 13 Recall: 0.918 Precision: all: 0.654 allw: 0.879 <3: 0.902 <3w: 0.855 F-measure:(Recall,Precision) 0.763 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.922 Model 14 Recall: 0.913 Precision: all: 0.662 allw: 0.88 <3: 0.9 <3w: 0.857 F-measure:(Recall,Precision) 0.767 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.923 Model 15 Recall: 0.914 Precision: all: 0.656 allw: 0.871 <3: 0.901 <3w: 0.85 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.919 Model 16 Recall: 0.907 Precision: all: 0.658 allw: 0.877 <3: 0.901 <3w: 0.851 F-measure:(Recall,Precision) 0.763 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.92 Model 17 Recall: 0.904 Precision: all: 0.655 allw: 0.863 <3: 0.901 <3w: 0.852 F-measure:(Recall,Precision) 0.76 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.92 Model 18 Recall: 0.915 Precision: all: 0.652 allw: 0.863 <3: 0.903 <3w: 0.855 F-measure:(Recall,Precision) 0.762 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.922 Model 19 Recall: 0.915 Precision: all: 0.659 allw: 0.879 <3: 0.899 <3w: 0.852 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.92 Model 20 Recall: 0.917 Precision: all: 0.656 allw: 0.867 <3: 0.9 <3w: 0.863 F-measure:(Recall,Precision) 0.765 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.927 For freely-rotating-chain model: Model ave Inconsistent score: 0.385(520/1349) Model ave Missing interactions: 0.231 (211/913) weighted: 0.162 (8.85e+04/5.45e+05) <3: 0.132 (24/182) <3w: 0.165 (5.16e+04/3.13e+05) Recall: 0.615 Precision: all: 0.769 allw: 0.838 F-measure:(RecallFree,PrecisionFree) 0.683 F-measure:(ReallFree,PrecisionFreeW) 0.709 # Summary for c_aro.peaks Total simulated peaks: 26 Number of peaks NOT matched in the Peak List: 7 M score = 0.27 Average shift in HX: -0.0032 Average ab-shift in HX: 0.0071(Assignment used: 10) Average shift in X: 0.047 Average ab-shift in X: 0.077(Assignment used: 10) Average shift in HX2: -0.0024 Average ab-shift in HX2: 0.0094(Assignment used: 17) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.101(16/158) Model 1 Inconsistent score: 0.0886(14/158) Model 2 Inconsistent score: 0.0949(15/158) Model 3 Inconsistent score: 0.0886(14/158) Model 4 Inconsistent score: 0.101(16/158) Model 5 Inconsistent score: 0.0759(12/158) Model 6 Inconsistent score: 0.0823(13/158) Model 7 Inconsistent score: 0.0823(13/158) Model 8 Inconsistent score: 0.0823(13/158) Model 9 Inconsistent score: 0.0886(14/158) Model 10 Inconsistent score: 0.101(16/158) Model 11 Inconsistent score: 0.0949(15/158) Model 12 Inconsistent score: 0.0759(12/158) Model 13 Inconsistent score: 0.0949(15/158) Model 14 Inconsistent score: 0.0949(15/158) Model 15 Inconsistent score: 0.108(17/158) Model 16 Inconsistent score: 0.0949(15/158) Model 17 Inconsistent score: 0.0823(13/158) Model 18 Inconsistent score: 0.0886(14/158) Model 19 Inconsistent score: 0.0949(15/158) Model 20 Inconsistent score: 0.0949(15/158) Model ave Missing interactions: 0.682 (264/387) weighted: 0.38 (1.37e+05/3.61e+05) <3: 0.406 (13/32) <3w: 0.334 (3.87e+04/1.16e+05) Model 1 Missing interactions: 0.723 (324/448) weighted: 0.476 (2.43e+05/5.1e+05) <3: 0.406 (13/32) <3w: 0.336 (3.89e+04/1.16e+05) Model 2 Missing interactions: 0.741 (338/456) weighted: 0.481 (2.55e+05/5.3e+05) <3: 0.406 (13/32) <3w: 0.335 (3.89e+04/1.16e+05) Model 3 Missing interactions: 0.728 (318/437) weighted: 0.463 (2.44e+05/5.28e+05) <3: 0.406 (13/32) <3w: 0.335 (3.89e+04/1.16e+05) Model 4 Missing interactions: 0.742 (351/473) weighted: 0.528 (3.33e+05/6.31e+05) <3: 0.406 (13/32) <3w: 0.332 (3.84e+04/1.16e+05) Model 5 Missing interactions: 0.721 (334/463) weighted: 0.454 (2.72e+05/6.01e+05) <3: 0.406 (13/32) <3w: 0.334 (3.84e+04/1.15e+05) Model 6 Missing interactions: 0.72 (317/440) weighted: 0.446 (2.35e+05/5.27e+05) <3: 0.406 (13/32) <3w: 0.337 (3.89e+04/1.16e+05) Model 7 Missing interactions: 0.713 (311/436) weighted: 0.431 (2.3e+05/5.34e+05) <3: 0.406 (13/32) <3w: 0.336 (3.89e+04/1.16e+05) Model 8 Missing interactions: 0.721 (323/448) weighted: 0.508 (2.58e+05/5.07e+05) <3: 0.406 (13/32) <3w: 0.335 (3.89e+04/1.16e+05) Model 9 Missing interactions: 0.745 (360/483) weighted: 0.529 (3.17e+05/6e+05) <3: 0.406 (13/32) <3w: 0.337 (3.89e+04/1.16e+05) Model 10 Missing interactions: 0.757 (373/493) weighted: 0.486 (2.89e+05/5.96e+05) <3: 0.406 (13/32) <3w: 0.335 (3.89e+04/1.16e+05) Model 11 Missing interactions: 0.726 (328/452) weighted: 0.46 (2.35e+05/5.11e+05) <3: 0.406 (13/32) <3w: 0.336 (3.89e+04/1.16e+05) Model 12 Missing interactions: 0.712 (306/430) weighted: 0.464 (2.27e+05/4.9e+05) <3: 0.406 (13/32) <3w: 0.334 (3.84e+04/1.15e+05) Model 13 Missing interactions: 0.742 (357/481) weighted: 0.495 (2.66e+05/5.38e+05) <3: 0.406 (13/32) <3w: 0.334 (3.84e+04/1.15e+05) Model 14 Missing interactions: 0.738 (329/446) weighted: 0.467 (2.41e+05/5.15e+05) <3: 0.406 (13/32) <3w: 0.335 (3.89e+04/1.16e+05) Model 15 Missing interactions: 0.757 (368/486) weighted: 0.486 (2.72e+05/5.59e+05) <3: 0.406 (13/32) <3w: 0.332 (3.84e+04/1.16e+05) Model 16 Missing interactions: 0.741 (332/448) weighted: 0.495 (2.6e+05/5.25e+05) <3: 0.406 (13/32) <3w: 0.333 (3.85e+04/1.15e+05) Model 17 Missing interactions: 0.745 (341/458) weighted: 0.603 (3.58e+05/5.94e+05) <3: 0.406 (13/32) <3w: 0.335 (3.89e+04/1.16e+05) Model 18 Missing interactions: 0.734 (331/451) weighted: 0.471 (2.42e+05/5.13e+05) <3: 0.406 (13/32) <3w: 0.337 (3.89e+04/1.16e+05) Model 19 Missing interactions: 0.741 (352/475) weighted: 0.459 (2.58e+05/5.61e+05) <3: 0.406 (13/32) <3w: 0.335 (3.89e+04/1.16e+05) Model 20 Missing interactions: 0.742 (354/477) weighted: 0.532 (2.96e+05/5.56e+05) <3: 0.406 (13/32) <3w: 0.336 (3.89e+04/1.16e+05) Model ave Recall: 0.899 Precision: all: 0.318 allw: 0.62 <3: 0.594 <3w: 0.666 F-measure:(Recall,Precision) 0.47 F-measure:(Recall,PrecisionW) 0.734 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.799 Model 1 Recall: 0.911 Precision: all: 0.277 allw: 0.524 <3: 0.594 <3w: 0.664 F-measure:(Recall,Precision) 0.425 F-measure:(Recall,PrecisionW) 0.666 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.798 Model 2 Recall: 0.905 Precision: all: 0.259 allw: 0.519 <3: 0.594 <3w: 0.665 F-measure:(Recall,Precision) 0.402 F-measure:(Recall,PrecisionW) 0.659 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.799 Model 3 Recall: 0.911 Precision: all: 0.272 allw: 0.537 <3: 0.594 <3w: 0.665 F-measure:(Recall,Precision) 0.419 F-measure:(Recall,PrecisionW) 0.676 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.799 Model 4 Recall: 0.899 Precision: all: 0.258 allw: 0.472 <3: 0.594 <3w: 0.668 F-measure:(Recall,Precision) 0.401 F-measure:(Recall,PrecisionW) 0.619 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.801 Model 5 Recall: 0.924 Precision: all: 0.279 allw: 0.546 <3: 0.594 <3w: 0.666 F-measure:(Recall,Precision) 0.428 F-measure:(Recall,PrecisionW) 0.687 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 Model 6 Recall: 0.918 Precision: all: 0.28 allw: 0.554 <3: 0.594 <3w: 0.663 F-measure:(Recall,Precision) 0.429 F-measure:(Recall,PrecisionW) 0.691 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.797 Model 7 Recall: 0.918 Precision: all: 0.287 allw: 0.569 <3: 0.594 <3w: 0.664 F-measure:(Recall,Precision) 0.437 F-measure:(Recall,PrecisionW) 0.702 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.798 Model 8 Recall: 0.918 Precision: all: 0.279 allw: 0.492 <3: 0.594 <3w: 0.665 F-measure:(Recall,Precision) 0.428 F-measure:(Recall,PrecisionW) 0.64 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.799 Model 9 Recall: 0.911 Precision: all: 0.255 allw: 0.471 <3: 0.594 <3w: 0.663 F-measure:(Recall,Precision) 0.398 F-measure:(Recall,PrecisionW) 0.621 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.798 Model 10 Recall: 0.899 Precision: all: 0.243 allw: 0.514 <3: 0.594 <3w: 0.665 F-measure:(Recall,Precision) 0.383 F-measure:(Recall,PrecisionW) 0.654 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.799 Model 11 Recall: 0.905 Precision: all: 0.274 allw: 0.54 <3: 0.594 <3w: 0.664 F-measure:(Recall,Precision) 0.421 F-measure:(Recall,PrecisionW) 0.676 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.798 Model 12 Recall: 0.924 Precision: all: 0.288 allw: 0.536 <3: 0.594 <3w: 0.666 F-measure:(Recall,Precision) 0.44 F-measure:(Recall,PrecisionW) 0.679 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 Model 13 Recall: 0.905 Precision: all: 0.258 allw: 0.505 <3: 0.594 <3w: 0.666 F-measure:(Recall,Precision) 0.401 F-measure:(Recall,PrecisionW) 0.648 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 Model 14 Recall: 0.905 Precision: all: 0.262 allw: 0.533 <3: 0.594 <3w: 0.665 F-measure:(Recall,Precision) 0.407 F-measure:(Recall,PrecisionW) 0.671 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.799 Model 15 Recall: 0.892 Precision: all: 0.243 allw: 0.514 <3: 0.594 <3w: 0.668 F-measure:(Recall,Precision) 0.382 F-measure:(Recall,PrecisionW) 0.652 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.801 Model 16 Recall: 0.905 Precision: all: 0.259 allw: 0.505 <3: 0.594 <3w: 0.667 F-measure:(Recall,Precision) 0.403 F-measure:(Recall,PrecisionW) 0.648 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 Model 17 Recall: 0.918 Precision: all: 0.255 allw: 0.397 <3: 0.594 <3w: 0.665 F-measure:(Recall,Precision) 0.4 F-measure:(Recall,PrecisionW) 0.554 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.799 Model 18 Recall: 0.911 Precision: all: 0.266 allw: 0.529 <3: 0.594 <3w: 0.663 F-measure:(Recall,Precision) 0.412 F-measure:(Recall,PrecisionW) 0.669 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.798 Model 19 Recall: 0.905 Precision: all: 0.259 allw: 0.541 <3: 0.594 <3w: 0.665 F-measure:(Recall,Precision) 0.403 F-measure:(Recall,PrecisionW) 0.677 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.799 Model 20 Recall: 0.905 Precision: all: 0.258 allw: 0.468 <3: 0.594 <3w: 0.664 F-measure:(Recall,Precision) 0.401 F-measure:(Recall,PrecisionW) 0.617 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.798 For freely-rotating-chain model: Model ave Inconsistent score: 0.576(91/158) Model ave Missing interactions: 0.607 (68/112) weighted: 0.685 (4.56e+04/6.66e+04) <3: 0.6 (30/50) <3w: 0.72 (4.14e+04/5.75e+04) Recall: 0.424 Precision: all: 0.393 allw: 0.315 F-measure:(RecallFree,PrecisionFree) 0.408 F-measure:(ReallFree,PrecisionFreeW) 0.361 # Summary for c_ali.peaks Total simulated peaks: 934 Number of peaks NOT matched in the Peak List: 195 M score = 0.21 Average shift in HX: 0.00016 Average ab-shift in HX: 0.0052(Assignment used: 369) Average shift in X: 0.039 Average ab-shift in X: 0.085(Assignment used: 289) Average shift in HX2: 0.00061 Average ab-shift in HX2: 0.0097(Assignment used: 409) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.0929(294/3164) Model 1 Inconsistent score: 0.0958(303/3164) Model 2 Inconsistent score: 0.0917(290/3164) Model 3 Inconsistent score: 0.097(307/3164) Model 4 Inconsistent score: 0.0951(301/3164) Model 5 Inconsistent score: 0.0973(308/3164) Model 6 Inconsistent score: 0.0948(300/3164) Model 7 Inconsistent score: 0.0894(283/3164) Model 8 Inconsistent score: 0.0958(303/3164) Model 9 Inconsistent score: 0.0879(278/3164) Model 10 Inconsistent score: 0.098(310/3164) Model 11 Inconsistent score: 0.0926(293/3164) Model 12 Inconsistent score: 0.0961(304/3164) Model 13 Inconsistent score: 0.091(288/3164) Model 14 Inconsistent score: 0.0983(311/3164) Model 15 Inconsistent score: 0.0951(301/3164) Model 16 Inconsistent score: 0.101(318/3164) Model 17 Inconsistent score: 0.0929(294/3164) Model 18 Inconsistent score: 0.0945(299/3164) Model 19 Inconsistent score: 0.0983(311/3164) Model 20 Inconsistent score: 0.0939(297/3164) Model ave Missing interactions: 0.498 (2.6e+03/5216) weighted: 0.169 (2.16e+06/1.28e+07) <3: 0.135 (96/712) <3w: 0.102 (7.48e+05/7.32e+06) Model 1 Missing interactions: 0.522 (2.88e+03/5523) weighted: 0.204 (3.13e+06/1.54e+07) <3: 0.135 (96/712) <3w: 0.1 (7.42e+05/7.39e+06) Model 2 Missing interactions: 0.518 (2.92e+03/5646) weighted: 0.209 (3.27e+06/1.56e+07) <3: 0.134 (96/716) <3w: 0.0986 (7.3e+05/7.4e+06) Model 3 Missing interactions: 0.519 (2.85e+03/5497) weighted: 0.204 (3.14e+06/1.54e+07) <3: 0.135 (96/712) <3w: 0.0999 (7.39e+05/7.4e+06) Model 4 Missing interactions: 0.516 (2.85e+03/5522) weighted: 0.197 (3.02e+06/1.53e+07) <3: 0.134 (96/716) <3w: 0.101 (7.42e+05/7.36e+06) Model 5 Missing interactions: 0.517 (2.84e+03/5482) weighted: 0.207 (3.19e+06/1.54e+07) <3: 0.135 (96/711) <3w: 0.0978 (7.28e+05/7.44e+06) Model 6 Missing interactions: 0.517 (2.84e+03/5491) weighted: 0.214 (3.32e+06/1.55e+07) <3: 0.135 (96/712) <3w: 0.0997 (7.39e+05/7.42e+06) Model 7 Missing interactions: 0.515 (2.86e+03/5556) weighted: 0.203 (3.16e+06/1.56e+07) <3: 0.135 (96/713) <3w: 0.099 (7.36e+05/7.44e+06) Model 8 Missing interactions: 0.514 (2.76e+03/5380) weighted: 0.204 (3.15e+06/1.54e+07) <3: 0.135 (96/713) <3w: 0.0974 (7.25e+05/7.44e+06) Model 9 Missing interactions: 0.515 (2.89e+03/5619) weighted: 0.207 (3.27e+06/1.58e+07) <3: 0.134 (96/719) <3w: 0.0979 (7.19e+05/7.34e+06) Model 10 Missing interactions: 0.52 (2.86e+03/5512) weighted: 0.205 (3.18e+06/1.56e+07) <3: 0.135 (96/713) <3w: 0.0999 (7.37e+05/7.38e+06) Model 11 Missing interactions: 0.513 (2.83e+03/5518) weighted: 0.205 (3.22e+06/1.57e+07) <3: 0.133 (96/720) <3w: 0.1 (7.4e+05/7.39e+06) Model 12 Missing interactions: 0.519 (2.85e+03/5484) weighted: 0.204 (3.13e+06/1.53e+07) <3: 0.135 (96/710) <3w: 0.0982 (7.23e+05/7.36e+06) Model 13 Missing interactions: 0.519 (2.92e+03/5616) weighted: 0.207 (3.19e+06/1.54e+07) <3: 0.134 (96/717) <3w: 0.0976 (7.22e+05/7.4e+06) Model 14 Missing interactions: 0.519 (2.86e+03/5504) weighted: 0.209 (3.25e+06/1.56e+07) <3: 0.135 (96/713) <3w: 0.0995 (7.47e+05/7.5e+06) Model 15 Missing interactions: 0.518 (2.88e+03/5564) weighted: 0.207 (3.17e+06/1.54e+07) <3: 0.134 (96/714) <3w: 0.101 (7.44e+05/7.35e+06) Model 16 Missing interactions: 0.517 (2.83e+03/5475) weighted: 0.205 (3.12e+06/1.53e+07) <3: 0.134 (96/715) <3w: 0.102 (7.62e+05/7.44e+06) Model 17 Missing interactions: 0.521 (2.93e+03/5621) weighted: 0.221 (3.54e+06/1.61e+07) <3: 0.134 (96/714) <3w: 0.0981 (7.27e+05/7.41e+06) Model 18 Missing interactions: 0.521 (2.96e+03/5671) weighted: 0.225 (3.57e+06/1.59e+07) <3: 0.134 (96/718) <3w: 0.101 (7.51e+05/7.42e+06) Model 19 Missing interactions: 0.515 (2.84e+03/5507) weighted: 0.204 (3.11e+06/1.52e+07) <3: 0.135 (96/711) <3w: 0.0992 (7.41e+05/7.46e+06) Model 20 Missing interactions: 0.519 (2.89e+03/5572) weighted: 0.203 (3.24e+06/1.59e+07) <3: 0.135 (96/713) <3w: 0.1 (7.42e+05/7.42e+06) Model ave Recall: 0.907 Precision: all: 0.502 allw: 0.831 <3: 0.865 <3w: 0.898 F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.867 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.946 Model 1 Recall: 0.904 Precision: all: 0.478 allw: 0.796 <3: 0.865 <3w: 0.9 F-measure:(Recall,Precision) 0.625 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.947 Model 2 Recall: 0.908 Precision: all: 0.482 allw: 0.791 <3: 0.866 <3w: 0.901 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.948 Model 3 Recall: 0.903 Precision: all: 0.481 allw: 0.796 <3: 0.865 <3w: 0.9 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.947 Model 4 Recall: 0.905 Precision: all: 0.484 allw: 0.803 <3: 0.866 <3w: 0.899 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.947 Model 5 Recall: 0.903 Precision: all: 0.483 allw: 0.793 <3: 0.865 <3w: 0.902 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 6 Recall: 0.905 Precision: all: 0.483 allw: 0.786 <3: 0.865 <3w: 0.9 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.948 Model 7 Recall: 0.911 Precision: all: 0.485 allw: 0.797 <3: 0.865 <3w: 0.901 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.85 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.948 Model 8 Recall: 0.904 Precision: all: 0.486 allw: 0.796 <3: 0.865 <3w: 0.903 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 9 Recall: 0.912 Precision: all: 0.485 allw: 0.793 <3: 0.866 <3w: 0.902 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 10 Recall: 0.902 Precision: all: 0.48 allw: 0.795 <3: 0.865 <3w: 0.9 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.845 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.947 Model 11 Recall: 0.907 Precision: all: 0.487 allw: 0.795 <3: 0.867 <3w: 0.9 F-measure:(Recall,Precision) 0.634 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.947 Model 12 Recall: 0.904 Precision: all: 0.481 allw: 0.796 <3: 0.865 <3w: 0.902 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.927 F-measure:(0,PrecisionIdealW) 0.948 Model 13 Recall: 0.909 Precision: all: 0.481 allw: 0.793 <3: 0.866 <3w: 0.902 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 14 Recall: 0.902 Precision: all: 0.481 allw: 0.791 <3: 0.865 <3w: 0.9 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.843 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.948 Model 15 Recall: 0.905 Precision: all: 0.482 allw: 0.793 <3: 0.866 <3w: 0.899 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.947 Model 16 Recall: 0.899 Precision: all: 0.483 allw: 0.795 <3: 0.866 <3w: 0.898 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.946 Model 17 Recall: 0.907 Precision: all: 0.479 allw: 0.779 <3: 0.866 <3w: 0.902 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.838 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.948 Model 18 Recall: 0.905 Precision: all: 0.479 allw: 0.775 <3: 0.866 <3w: 0.899 F-measure:(Recall,Precision) 0.626 F-measure:(Recall,PrecisionW) 0.835 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.947 Model 19 Recall: 0.902 Precision: all: 0.485 allw: 0.796 <3: 0.865 <3w: 0.901 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.948 Model 20 Recall: 0.906 Precision: all: 0.481 allw: 0.797 <3: 0.865 <3w: 0.9 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.947 For freely-rotating-chain model: Model ave Inconsistent score: 0.426(1349/3164) Model ave Missing interactions: 0.387 (856/2213) weighted: 0.182 (3.14e+05/1.73e+06) <3: 0.136 (96/706) <3w: 0.105 (1.32e+05/1.26e+06) Recall: 0.574 Precision: all: 0.613 allw: 0.818 F-measure:(RecallFree,PrecisionFree) 0.593 F-measure:(ReallFree,PrecisionFreeW) 0.674 Final M-score 0.201 227/1.13e+03 Model ave Final Recall-score for input query structures: 0.908 Final Precision-score for input query structures: 0.844 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.888 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.875 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.751 Model 1 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.808 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.89 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.854 F-score of ideal true structures: 0.942 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.669 Model 2 Final Recall-score for input query structures: 0.909 Final Precision-score for input query structures: 0.796 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.892 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.849 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.648 Model 3 Final Recall-score for input query structures: 0.905 Final Precision-score for input query structures: 0.806 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.891 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.852 F-score of ideal true structures: 0.942 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.662 Model 4 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.814 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.889 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.858 F-score of ideal true structures: 0.942 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.684 Model 5 Final Recall-score for input query structures: 0.905 Final Precision-score for input query structures: 0.806 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.66 Model 6 Final Recall-score for input query structures: 0.908 Final Precision-score for input query structures: 0.802 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.891 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.851 F-score of ideal true structures: 0.942 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.658 Model 7 Final Recall-score for input query structures: 0.91 Final Precision-score for input query structures: 0.814 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.859 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.685 Model 8 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.805 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.894 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.66 Model 9 Final Recall-score for input query structures: 0.913 Final Precision-score for input query structures: 0.806 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.892 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.856 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.674 Model 10 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.806 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.891 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.942 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.665 Model 11 Final Recall-score for input query structures: 0.909 Final Precision-score for input query structures: 0.806 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.889 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.854 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.672 Model 12 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.81 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.892 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.855 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.67 Model 13 Final Recall-score for input query structures: 0.911 Final Precision-score for input query structures: 0.806 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.856 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.674 Model 14 Final Recall-score for input query structures: 0.905 Final Precision-score for input query structures: 0.807 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.892 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.663 Model 15 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.805 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.889 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.668 Model 16 Final Recall-score for input query structures: 0.902 Final Precision-score for input query structures: 0.808 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.889 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.852 F-score of ideal true structures: 0.941 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.664 Model 17 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.789 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.892 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.844 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.629 Model 18 Final Recall-score for input query structures: 0.909 Final Precision-score for input query structures: 0.791 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.89 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.846 F-score of ideal true structures: 0.942 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.639 Model 19 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.809 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.891 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.855 F-score of ideal true structures: 0.942 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.673 Model 20 Final Recall-score for input query structures: 0.909 Final Precision-score for input query structures: 0.806 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.892 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.854 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.667 Statistics: =========== NOESY_Assign: User CPU Time: 63.8 sec. Syst CPU Time: 0.96 sec. Other Processes: User CPU Time: 0.76 sec. Syst CPU Time: 0.05 sec. Total Elapsed Time: 65.6 sec.