# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 00:35:21 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/CTR148A_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q CTR148A_NMR_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 136 Number of peaks NOT matched in the Peak List: 8 M score = 0.059 Average shift in HX: -0.00014 Average ab-shift in HX: 0.00024(Assignment used: 83) Average shift in X: 0.0047 Average ab-shift in X: 0.0049(Assignment used: 81) Average shift in HX2: -0.0046 Average ab-shift in HX2: 0.0071(Assignment used: 110) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.126(149/1180) Model 1 Inconsistent score: 0.121(143/1180) Model 2 Inconsistent score: 0.129(152/1180) Model 3 Inconsistent score: 0.115(136/1180) Model 4 Inconsistent score: 0.127(150/1180) Model 5 Inconsistent score: 0.122(144/1180) Model 6 Inconsistent score: 0.126(149/1180) Model 7 Inconsistent score: 0.122(144/1180) Model 8 Inconsistent score: 0.117(138/1180) Model 9 Inconsistent score: 0.128(151/1180) Model 10 Inconsistent score: 0.123(145/1180) Model 11 Inconsistent score: 0.125(147/1180) Model 12 Inconsistent score: 0.127(150/1180) Model 13 Inconsistent score: 0.13(153/1180) Model 14 Inconsistent score: 0.123(145/1180) Model 15 Inconsistent score: 0.126(149/1180) Model 16 Inconsistent score: 0.125(147/1180) Model 17 Inconsistent score: 0.142(167/1180) Model 18 Inconsistent score: 0.121(143/1180) Model 19 Inconsistent score: 0.129(152/1180) Model 20 Inconsistent score: 0.129(152/1180) Model ave Missing interactions: 0.21 (283/1350) weighted: 0.0635 (1.93e+05/3.03e+06) <3: 0.0408 (6/147) <3w: 0.0848 (7.19e+04/8.48e+05) Model 1 Missing interactions: 0.215 (296/1379) weighted: 0.0632 (2.07e+05/3.27e+06) <3: 0.0403 (6/149) <3w: 0.0834 (7.17e+04/8.59e+05) Model 2 Missing interactions: 0.212 (287/1351) weighted: 0.0639 (2.09e+05/3.28e+06) <3: 0.0403 (6/149) <3w: 0.0834 (7.26e+04/8.7e+05) Model 3 Missing interactions: 0.219 (305/1394) weighted: 0.076 (2.55e+05/3.36e+06) <3: 0.0408 (6/147) <3w: 0.0839 (7.21e+04/8.6e+05) Model 4 Missing interactions: 0.214 (292/1366) weighted: 0.0811 (2.66e+05/3.28e+06) <3: 0.0405 (6/148) <3w: 0.0838 (7.16e+04/8.55e+05) Model 5 Missing interactions: 0.207 (282/1363) weighted: 0.0778 (2.6e+05/3.34e+06) <3: 0.0405 (6/148) <3w: 0.0816 (7.2e+04/8.83e+05) Model 6 Missing interactions: 0.214 (292/1363) weighted: 0.0663 (2.15e+05/3.25e+06) <3: 0.0411 (6/146) <3w: 0.0834 (7.17e+04/8.6e+05) Model 7 Missing interactions: 0.224 (312/1392) weighted: 0.0786 (2.65e+05/3.37e+06) <3: 0.0403 (6/149) <3w: 0.0822 (7.17e+04/8.72e+05) Model 8 Missing interactions: 0.211 (292/1385) weighted: 0.0765 (2.61e+05/3.42e+06) <3: 0.0403 (6/149) <3w: 0.0828 (7.23e+04/8.74e+05) Model 9 Missing interactions: 0.213 (288/1351) weighted: 0.0646 (2.19e+05/3.39e+06) <3: 0.0408 (6/147) <3w: 0.0816 (7.14e+04/8.76e+05) Model 10 Missing interactions: 0.21 (288/1371) weighted: 0.0718 (2.38e+05/3.31e+06) <3: 0.0405 (6/148) <3w: 0.0829 (7.17e+04/8.64e+05) Model 11 Missing interactions: 0.218 (300/1378) weighted: 0.0728 (2.44e+05/3.35e+06) <3: 0.0405 (6/148) <3w: 0.0837 (7.18e+04/8.58e+05) Model 12 Missing interactions: 0.208 (285/1368) weighted: 0.069 (2.33e+05/3.38e+06) <3: 0.0403 (6/149) <3w: 0.0831 (7.17e+04/8.64e+05) Model 13 Missing interactions: 0.213 (290/1363) weighted: 0.0643 (2.13e+05/3.32e+06) <3: 0.0403 (6/149) <3w: 0.0819 (7.18e+04/8.77e+05) Model 14 Missing interactions: 0.22 (301/1371) weighted: 0.0672 (2.31e+05/3.43e+06) <3: 0.0405 (6/148) <3w: 0.0835 (7.2e+04/8.62e+05) Model 15 Missing interactions: 0.209 (283/1353) weighted: 0.0726 (2.44e+05/3.37e+06) <3: 0.0405 (6/148) <3w: 0.0826 (7.18e+04/8.69e+05) Model 16 Missing interactions: 0.212 (288/1360) weighted: 0.0729 (2.41e+05/3.31e+06) <3: 0.0403 (6/149) <3w: 0.0825 (7.17e+04/8.69e+05) Model 17 Missing interactions: 0.21 (282/1340) weighted: 0.0671 (2.17e+05/3.24e+06) <3: 0.0405 (6/148) <3w: 0.0824 (7.21e+04/8.75e+05) Model 18 Missing interactions: 0.212 (288/1357) weighted: 0.0724 (2.41e+05/3.33e+06) <3: 0.0408 (6/147) <3w: 0.0829 (7.27e+04/8.78e+05) Model 19 Missing interactions: 0.214 (292/1365) weighted: 0.0743 (2.52e+05/3.38e+06) <3: 0.0405 (6/148) <3w: 0.0818 (7.25e+04/8.86e+05) Model 20 Missing interactions: 0.219 (301/1376) weighted: 0.0642 (2.14e+05/3.34e+06) <3: 0.0405 (6/148) <3w: 0.0829 (7.15e+04/8.62e+05) Model ave Recall: 0.874 Precision: all: 0.79 allw: 0.937 <3: 0.959 <3w: 0.915 F-measure:(Recall,Precision) 0.83 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 1 Recall: 0.879 Precision: all: 0.785 allw: 0.937 <3: 0.96 <3w: 0.917 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.907 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 2 Recall: 0.871 Precision: all: 0.788 allw: 0.936 <3: 0.96 <3w: 0.917 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 3 Recall: 0.885 Precision: all: 0.781 allw: 0.924 <3: 0.959 <3w: 0.916 F-measure:(Recall,Precision) 0.83 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 4 Recall: 0.873 Precision: all: 0.786 allw: 0.919 <3: 0.959 <3w: 0.916 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 5 Recall: 0.878 Precision: all: 0.793 allw: 0.922 <3: 0.959 <3w: 0.918 F-measure:(Recall,Precision) 0.833 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 6 Recall: 0.874 Precision: all: 0.786 allw: 0.934 <3: 0.959 <3w: 0.917 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 7 Recall: 0.878 Precision: all: 0.776 allw: 0.921 <3: 0.96 <3w: 0.918 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 8 Recall: 0.883 Precision: all: 0.789 allw: 0.924 <3: 0.96 <3w: 0.917 F-measure:(Recall,Precision) 0.833 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 9 Recall: 0.872 Precision: all: 0.787 allw: 0.935 <3: 0.959 <3w: 0.918 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 10 Recall: 0.877 Precision: all: 0.79 allw: 0.928 <3: 0.959 <3w: 0.917 F-measure:(Recall,Precision) 0.831 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 11 Recall: 0.875 Precision: all: 0.782 allw: 0.927 <3: 0.959 <3w: 0.916 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 12 Recall: 0.873 Precision: all: 0.792 allw: 0.931 <3: 0.96 <3w: 0.917 F-measure:(Recall,Precision) 0.83 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 13 Recall: 0.87 Precision: all: 0.787 allw: 0.936 <3: 0.96 <3w: 0.918 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 14 Recall: 0.877 Precision: all: 0.78 allw: 0.933 <3: 0.959 <3w: 0.916 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 15 Recall: 0.874 Precision: all: 0.791 allw: 0.927 <3: 0.959 <3w: 0.917 F-measure:(Recall,Precision) 0.83 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 16 Recall: 0.875 Precision: all: 0.788 allw: 0.927 <3: 0.96 <3w: 0.917 F-measure:(Recall,Precision) 0.83 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 17 Recall: 0.858 Precision: all: 0.79 allw: 0.933 <3: 0.959 <3w: 0.918 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 18 Recall: 0.879 Precision: all: 0.788 allw: 0.928 <3: 0.959 <3w: 0.917 F-measure:(Recall,Precision) 0.831 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 19 Recall: 0.871 Precision: all: 0.786 allw: 0.926 <3: 0.959 <3w: 0.918 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 20 Recall: 0.871 Precision: all: 0.781 allw: 0.936 <3: 0.959 <3w: 0.917 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 For freely-rotating-chain model: Model ave Inconsistent score: 0.422(498/1180) Model ave Missing interactions: 0.146 (104/714) weighted: 0.0858 (3.45e+04/4.03e+05) <3: 0.0432 (6/139) <3w: 0.0745 (1.67e+04/2.24e+05) Recall: 0.578 Precision: all: 0.854 allw: 0.914 F-measure:(RecallFree,PrecisionFree) 0.689 F-measure:(ReallFree,PrecisionFreeW) 0.708 # Summary for c_aro.peaks Total simulated peaks: 9 Number of peaks NOT matched in the Peak List: 1 M score = 0.11 Average shift in HX: 0 Average ab-shift in HX: 0(Assignment used: 4) Average shift in X: 0 Average ab-shift in X: 0(Assignment used: 4) Average shift in HX2: -0.0026 Average ab-shift in HX2: 0.0044(Assignment used: 8) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.0536(9/168) Model 1 Inconsistent score: 0.0655(11/168) Model 2 Inconsistent score: 0.0714(12/168) Model 3 Inconsistent score: 0.0595(10/168) Model 4 Inconsistent score: 0.0714(12/168) Model 5 Inconsistent score: 0.0536(9/168) Model 6 Inconsistent score: 0.0655(11/168) Model 7 Inconsistent score: 0.0595(10/168) Model 8 Inconsistent score: 0.0536(9/168) Model 9 Inconsistent score: 0.0714(12/168) Model 10 Inconsistent score: 0.0655(11/168) Model 11 Inconsistent score: 0.0595(10/168) Model 12 Inconsistent score: 0.0655(11/168) Model 13 Inconsistent score: 0.0655(11/168) Model 14 Inconsistent score: 0.0595(10/168) Model 15 Inconsistent score: 0.0655(11/168) Model 16 Inconsistent score: 0.0833(14/168) Model 17 Inconsistent score: 0.0714(12/168) Model 18 Inconsistent score: 0.0714(12/168) Model 19 Inconsistent score: 0.0774(13/168) Model 20 Inconsistent score: 0.0655(11/168) Model ave Missing interactions: 0.339 (102/301) weighted: 0.195 (7.09e+04/3.64e+05) <3: 0.667 (2/3) <3w: 0.477 (349/733) Model 1 Missing interactions: 0.348 (104/299) weighted: 0.192 (8e+04/4.17e+05) <3: 0.667 (2/3) <3w: 0.489 (349/715) Model 2 Missing interactions: 0.352 (108/307) weighted: 0.2 (8.42e+04/4.22e+05) <3: 0.667 (2/3) <3w: 0.464 (349/752) Model 3 Missing interactions: 0.354 (107/302) weighted: 0.205 (8.97e+04/4.39e+05) <3: 0.667 (2/3) <3w: 0.432 (349/809) Model 4 Missing interactions: 0.354 (107/302) weighted: 0.197 (9.42e+04/4.79e+05) <3: 0.667 (2/3) <3w: 0.524 (354/676) Model 5 Missing interactions: 0.355 (108/304) weighted: 0.161 (6.45e+04/4.01e+05) <3: 0.667 (2/3) <3w: 0.407 (349/857) Model 6 Missing interactions: 0.358 (106/296) weighted: 0.235 (8.96e+04/3.81e+05) <3: 0.667 (2/3) <3w: 0.521 (344/661) Model 7 Missing interactions: 0.358 (111/310) weighted: 0.211 (8.6e+04/4.07e+05) <3: 0.667 (2/3) <3w: 0.544 (349/642) Model 8 Missing interactions: 0.353 (110/312) weighted: 0.204 (8.87e+04/4.34e+05) <3: 0.667 (2/3) <3w: 0.489 (349/715) Model 9 Missing interactions: 0.342 (100/292) weighted: 0.19 (7.99e+04/4.22e+05) <3: 0.667 (2/3) <3w: 0.525 (344/656) Model 10 Missing interactions: 0.347 (107/308) weighted: 0.214 (8.6e+04/4.03e+05) <3: 0.667 (2/3) <3w: 0.464 (349/752) Model 11 Missing interactions: 0.351 (108/308) weighted: 0.21 (9.18e+04/4.36e+05) <3: 0.667 (2/3) <3w: 0.485 (349/720) Model 12 Missing interactions: 0.35 (106/303) weighted: 0.182 (7.66e+04/4.2e+05) <3: 0.667 (2/3) <3w: 0.485 (344/710) Model 13 Missing interactions: 0.343 (106/309) weighted: 0.193 (8.18e+04/4.23e+05) <3: 0.667 (2/3) <3w: 0.536 (349/651) Model 14 Missing interactions: 0.352 (107/304) weighted: 0.193 (8.39e+04/4.35e+05) <3: 0.667 (2/3) <3w: 0.477 (349/733) Model 15 Missing interactions: 0.346 (103/298) weighted: 0.219 (8.56e+04/3.9e+05) <3: 0.667 (2/3) <3w: 0.524 (349/666) Model 16 Missing interactions: 0.362 (109/301) weighted: 0.194 (8.12e+04/4.2e+05) <3: 0.667 (2/3) <3w: 0.489 (344/704) Model 17 Missing interactions: 0.346 (103/298) weighted: 0.188 (7.51e+04/3.98e+05) <3: 0.667 (2/3) <3w: 0.46 (349/758) Model 18 Missing interactions: 0.348 (103/296) weighted: 0.234 (9.87e+04/4.22e+05) <3: 0.667 (2/3) <3w: 0.456 (349/765) Model 19 Missing interactions: 0.361 (110/305) weighted: 0.226 (1.03e+05/4.53e+05) <3: 0.667 (2/3) <3w: 0.536 (349/651) Model 20 Missing interactions: 0.348 (102/293) weighted: 0.197 (7.93e+04/4.02e+05) <3: 0.667 (2/3) <3w: 0.509 (349/687) Model ave Recall: 0.946 Precision: all: 0.661 allw: 0.805 <3: 0.333 <3w: 0.523 F-measure:(Recall,Precision) 0.778 F-measure:(Recall,PrecisionW) 0.87 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.687 Model 1 Recall: 0.935 Precision: all: 0.652 allw: 0.808 <3: 0.333 <3w: 0.511 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.867 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.677 Model 2 Recall: 0.929 Precision: all: 0.648 allw: 0.8 <3: 0.333 <3w: 0.536 F-measure:(Recall,Precision) 0.763 F-measure:(Recall,PrecisionW) 0.86 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.698 Model 3 Recall: 0.94 Precision: all: 0.646 allw: 0.795 <3: 0.333 <3w: 0.568 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.862 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.725 Model 4 Recall: 0.929 Precision: all: 0.646 allw: 0.803 <3: 0.333 <3w: 0.476 F-measure:(Recall,Precision) 0.762 F-measure:(Recall,PrecisionW) 0.861 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.645 Model 5 Recall: 0.946 Precision: all: 0.645 allw: 0.839 <3: 0.333 <3w: 0.593 F-measure:(Recall,Precision) 0.767 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.744 Model 6 Recall: 0.935 Precision: all: 0.642 allw: 0.765 <3: 0.333 <3w: 0.479 F-measure:(Recall,Precision) 0.761 F-measure:(Recall,PrecisionW) 0.841 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.648 Model 7 Recall: 0.94 Precision: all: 0.642 allw: 0.789 <3: 0.333 <3w: 0.456 F-measure:(Recall,Precision) 0.763 F-measure:(Recall,PrecisionW) 0.858 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.627 Model 8 Recall: 0.946 Precision: all: 0.647 allw: 0.796 <3: 0.333 <3w: 0.511 F-measure:(Recall,Precision) 0.769 F-measure:(Recall,PrecisionW) 0.865 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.677 Model 9 Recall: 0.929 Precision: all: 0.658 allw: 0.81 <3: 0.333 <3w: 0.475 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.865 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.644 Model 10 Recall: 0.935 Precision: all: 0.653 allw: 0.786 <3: 0.333 <3w: 0.536 F-measure:(Recall,Precision) 0.769 F-measure:(Recall,PrecisionW) 0.854 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.698 Model 11 Recall: 0.94 Precision: all: 0.649 allw: 0.79 <3: 0.333 <3w: 0.515 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.68 Model 12 Recall: 0.935 Precision: all: 0.65 allw: 0.818 <3: 0.333 <3w: 0.515 F-measure:(Recall,Precision) 0.767 F-measure:(Recall,PrecisionW) 0.872 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.68 Model 13 Recall: 0.935 Precision: all: 0.657 allw: 0.807 <3: 0.333 <3w: 0.464 F-measure:(Recall,Precision) 0.772 F-measure:(Recall,PrecisionW) 0.866 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.634 Model 14 Recall: 0.94 Precision: all: 0.648 allw: 0.807 <3: 0.333 <3w: 0.523 F-measure:(Recall,Precision) 0.767 F-measure:(Recall,PrecisionW) 0.869 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.687 Model 15 Recall: 0.935 Precision: all: 0.654 allw: 0.781 <3: 0.333 <3w: 0.476 F-measure:(Recall,Precision) 0.77 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.645 Model 16 Recall: 0.917 Precision: all: 0.638 allw: 0.806 <3: 0.333 <3w: 0.511 F-measure:(Recall,Precision) 0.752 F-measure:(Recall,PrecisionW) 0.858 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.676 Model 17 Recall: 0.929 Precision: all: 0.654 allw: 0.812 <3: 0.333 <3w: 0.54 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.866 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.701 Model 18 Recall: 0.929 Precision: all: 0.652 allw: 0.766 <3: 0.333 <3w: 0.544 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.84 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.704 Model 19 Recall: 0.923 Precision: all: 0.639 allw: 0.774 <3: 0.333 <3w: 0.464 F-measure:(Recall,Precision) 0.755 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.634 Model 20 Recall: 0.935 Precision: all: 0.652 allw: 0.803 <3: 0.333 <3w: 0.491 F-measure:(Recall,Precision) 0.768 F-measure:(Recall,PrecisionW) 0.864 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.659 For freely-rotating-chain model: Model ave Inconsistent score: 0.821(138/168) Model ave Missing interactions: 0.459 (17/37) weighted: 0.498 (3.37e+03/6.76e+03) <3: 1 (2/2) <3w: 1 (1.86e+03/1.86e+03) Recall: 0.179 Precision: all: 0.541 allw: 0.502 F-measure:(RecallFree,PrecisionFree) 0.268 F-measure:(ReallFree,PrecisionFreeW) 0.263 # Summary for c_ali.peaks Total simulated peaks: 608 Number of peaks NOT matched in the Peak List: 125 M score = 0.21 Average shift in HX: 0.00018 Average ab-shift in HX: 0.00036(Assignment used: 247) Average shift in X: 0.0021 Average ab-shift in X: 0.0049(Assignment used: 197) Average shift in HX2: -0.0043 Average ab-shift in HX2: 0.0075(Assignment used: 271) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.0959(256/2670) Model 1 Inconsistent score: 0.0981(262/2670) Model 2 Inconsistent score: 0.101(269/2670) Model 3 Inconsistent score: 0.0929(248/2670) Model 4 Inconsistent score: 0.0966(258/2670) Model 5 Inconsistent score: 0.0981(262/2670) Model 6 Inconsistent score: 0.0985(263/2670) Model 7 Inconsistent score: 0.097(259/2670) Model 8 Inconsistent score: 0.0955(255/2670) Model 9 Inconsistent score: 0.101(269/2670) Model 10 Inconsistent score: 0.0974(260/2670) Model 11 Inconsistent score: 0.097(259/2670) Model 12 Inconsistent score: 0.0959(256/2670) Model 13 Inconsistent score: 0.0936(250/2670) Model 14 Inconsistent score: 0.0978(261/2670) Model 15 Inconsistent score: 0.0963(257/2670) Model 16 Inconsistent score: 0.0989(264/2670) Model 17 Inconsistent score: 0.0993(265/2670) Model 18 Inconsistent score: 0.097(259/2670) Model 19 Inconsistent score: 0.0951(254/2670) Model 20 Inconsistent score: 0.102(273/2670) Model ave Missing interactions: 0.39 (1.53e+03/3925) weighted: 0.177 (1.67e+06/9.4e+06) <3: 0.173 (85/491) <3w: 0.134 (6.36e+05/4.75e+06) Model 1 Missing interactions: 0.401 (1.62e+03/4033) weighted: 0.178 (1.8e+06/1.01e+07) <3: 0.172 (85/493) <3w: 0.133 (6.38e+05/4.8e+06) Model 2 Missing interactions: 0.401 (1.61e+03/4019) weighted: 0.181 (1.85e+06/1.02e+07) <3: 0.172 (85/493) <3w: 0.139 (6.71e+05/4.85e+06) Model 3 Missing interactions: 0.406 (1.66e+03/4079) weighted: 0.181 (1.86e+06/1.03e+07) <3: 0.173 (85/491) <3w: 0.135 (6.46e+05/4.78e+06) Model 4 Missing interactions: 0.405 (1.64e+03/4052) weighted: 0.18 (1.83e+06/1.02e+07) <3: 0.173 (85/492) <3w: 0.135 (6.43e+05/4.75e+06) Model 5 Missing interactions: 0.407 (1.65e+03/4056) weighted: 0.187 (1.92e+06/1.03e+07) <3: 0.173 (85/492) <3w: 0.136 (6.65e+05/4.87e+06) Model 6 Missing interactions: 0.398 (1.6e+03/4010) weighted: 0.184 (1.82e+06/9.92e+06) <3: 0.173 (85/490) <3w: 0.137 (6.55e+05/4.78e+06) Model 7 Missing interactions: 0.405 (1.64e+03/4044) weighted: 0.181 (1.88e+06/1.04e+07) <3: 0.173 (85/492) <3w: 0.137 (6.57e+05/4.8e+06) Model 8 Missing interactions: 0.407 (1.66e+03/4086) weighted: 0.184 (1.9e+06/1.04e+07) <3: 0.172 (85/493) <3w: 0.138 (6.68e+05/4.85e+06) Model 9 Missing interactions: 0.4 (1.59e+03/3965) weighted: 0.182 (1.86e+06/1.02e+07) <3: 0.173 (85/491) <3w: 0.136 (6.61e+05/4.85e+06) Model 10 Missing interactions: 0.402 (1.62e+03/4031) weighted: 0.181 (1.83e+06/1.02e+07) <3: 0.173 (85/492) <3w: 0.136 (6.57e+05/4.82e+06) Model 11 Missing interactions: 0.406 (1.64e+03/4049) weighted: 0.185 (1.92e+06/1.04e+07) <3: 0.173 (85/492) <3w: 0.136 (6.55e+05/4.81e+06) Model 12 Missing interactions: 0.402 (1.63e+03/4046) weighted: 0.185 (1.92e+06/1.04e+07) <3: 0.172 (85/493) <3w: 0.138 (6.64e+05/4.81e+06) Model 13 Missing interactions: 0.401 (1.62e+03/4044) weighted: 0.177 (1.85e+06/1.04e+07) <3: 0.173 (85/492) <3w: 0.132 (6.38e+05/4.83e+06) Model 14 Missing interactions: 0.403 (1.62e+03/4028) weighted: 0.188 (1.95e+06/1.04e+07) <3: 0.173 (85/492) <3w: 0.138 (6.67e+05/4.83e+06) Model 15 Missing interactions: 0.404 (1.63e+03/4032) weighted: 0.186 (1.91e+06/1.03e+07) <3: 0.173 (85/492) <3w: 0.134 (6.45e+05/4.8e+06) Model 16 Missing interactions: 0.402 (1.62e+03/4020) weighted: 0.183 (1.88e+06/1.03e+07) <3: 0.172 (85/493) <3w: 0.135 (6.54e+05/4.84e+06) Model 17 Missing interactions: 0.401 (1.6e+03/3995) weighted: 0.185 (1.86e+06/1e+07) <3: 0.173 (85/492) <3w: 0.138 (6.62e+05/4.82e+06) Model 18 Missing interactions: 0.399 (1.59e+03/3976) weighted: 0.185 (1.88e+06/1.01e+07) <3: 0.173 (85/490) <3w: 0.137 (6.62e+05/4.83e+06) Model 19 Missing interactions: 0.403 (1.63e+03/4034) weighted: 0.187 (1.93e+06/1.03e+07) <3: 0.173 (85/492) <3w: 0.137 (6.71e+05/4.89e+06) Model 20 Missing interactions: 0.401 (1.61e+03/4017) weighted: 0.182 (1.86e+06/1.02e+07) <3: 0.173 (85/492) <3w: 0.135 (6.46e+05/4.77e+06) Model ave Recall: 0.904 Precision: all: 0.61 allw: 0.823 <3: 0.827 <3w: 0.866 F-measure:(Recall,Precision) 0.728 F-measure:(Recall,PrecisionW) 0.862 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.928 Model 1 Recall: 0.902 Precision: all: 0.599 allw: 0.822 <3: 0.828 <3w: 0.867 F-measure:(Recall,Precision) 0.72 F-measure:(Recall,PrecisionW) 0.86 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.929 Model 2 Recall: 0.899 Precision: all: 0.599 allw: 0.819 <3: 0.828 <3w: 0.861 F-measure:(Recall,Precision) 0.719 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.926 Model 3 Recall: 0.907 Precision: all: 0.594 allw: 0.819 <3: 0.827 <3w: 0.865 F-measure:(Recall,Precision) 0.718 F-measure:(Recall,PrecisionW) 0.861 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 Model 4 Recall: 0.903 Precision: all: 0.595 allw: 0.82 <3: 0.827 <3w: 0.865 F-measure:(Recall,Precision) 0.717 F-measure:(Recall,PrecisionW) 0.86 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 Model 5 Recall: 0.902 Precision: all: 0.593 allw: 0.813 <3: 0.827 <3w: 0.864 F-measure:(Recall,Precision) 0.716 F-measure:(Recall,PrecisionW) 0.855 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 Model 6 Recall: 0.901 Precision: all: 0.602 allw: 0.816 <3: 0.827 <3w: 0.863 F-measure:(Recall,Precision) 0.722 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 Model 7 Recall: 0.903 Precision: all: 0.595 allw: 0.819 <3: 0.827 <3w: 0.863 F-measure:(Recall,Precision) 0.717 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.926 Model 8 Recall: 0.904 Precision: all: 0.593 allw: 0.816 <3: 0.828 <3w: 0.862 F-measure:(Recall,Precision) 0.716 F-measure:(Recall,PrecisionW) 0.858 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.926 Model 9 Recall: 0.899 Precision: all: 0.6 allw: 0.818 <3: 0.827 <3w: 0.864 F-measure:(Recall,Precision) 0.72 F-measure:(Recall,PrecisionW) 0.856 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 Model 10 Recall: 0.903 Precision: all: 0.598 allw: 0.819 <3: 0.827 <3w: 0.864 F-measure:(Recall,Precision) 0.719 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 Model 11 Recall: 0.903 Precision: all: 0.594 allw: 0.815 <3: 0.827 <3w: 0.864 F-measure:(Recall,Precision) 0.717 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 Model 12 Recall: 0.904 Precision: all: 0.598 allw: 0.815 <3: 0.828 <3w: 0.862 F-measure:(Recall,Precision) 0.72 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.926 Model 13 Recall: 0.906 Precision: all: 0.599 allw: 0.823 <3: 0.827 <3w: 0.868 F-measure:(Recall,Precision) 0.721 F-measure:(Recall,PrecisionW) 0.863 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.929 Model 14 Recall: 0.902 Precision: all: 0.597 allw: 0.812 <3: 0.827 <3w: 0.862 F-measure:(Recall,Precision) 0.718 F-measure:(Recall,PrecisionW) 0.855 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.926 Model 15 Recall: 0.904 Precision: all: 0.596 allw: 0.814 <3: 0.827 <3w: 0.866 F-measure:(Recall,Precision) 0.719 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.928 Model 16 Recall: 0.901 Precision: all: 0.598 allw: 0.817 <3: 0.828 <3w: 0.865 F-measure:(Recall,Precision) 0.719 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.928 Model 17 Recall: 0.901 Precision: all: 0.599 allw: 0.815 <3: 0.827 <3w: 0.862 F-measure:(Recall,Precision) 0.72 F-measure:(Recall,PrecisionW) 0.855 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.926 Model 18 Recall: 0.903 Precision: all: 0.601 allw: 0.815 <3: 0.827 <3w: 0.863 F-measure:(Recall,Precision) 0.722 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 Model 19 Recall: 0.905 Precision: all: 0.597 allw: 0.813 <3: 0.827 <3w: 0.863 F-measure:(Recall,Precision) 0.719 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.926 Model 20 Recall: 0.898 Precision: all: 0.599 allw: 0.818 <3: 0.827 <3w: 0.865 F-measure:(Recall,Precision) 0.719 F-measure:(Recall,PrecisionW) 0.856 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 For freely-rotating-chain model: Model ave Inconsistent score: 0.506(1352/2670) Model ave Missing interactions: 0.373 (598/1603) weighted: 0.245 (2.88e+05/1.18e+06) <3: 0.176 (85/484) <3w: 0.202 (1.62e+05/8e+05) Recall: 0.494 Precision: all: 0.627 allw: 0.755 F-measure:(RecallFree,PrecisionFree) 0.552 F-measure:(ReallFree,PrecisionFreeW) 0.597 Final M-score 0.178 134/753 Model ave Final Recall-score for input query structures: 0.897 Final Precision-score for input query structures: 0.849 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.873 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.872 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.809 Model 1 Final Recall-score for input query structures: 0.896 Final Precision-score for input query structures: 0.849 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.874 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.872 F-score of ideal true structures: 0.933 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.806 Model 2 Final Recall-score for input query structures: 0.892 Final Precision-score for input query structures: 0.846 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.87 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.868 F-score of ideal true structures: 0.93 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.801 Model 3 Final Recall-score for input query structures: 0.902 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.873 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.871 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.806 Model 4 Final Recall-score for input query structures: 0.895 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.872 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.868 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.796 Model 5 Final Recall-score for input query structures: 0.897 Final Precision-score for input query structures: 0.84 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.872 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.867 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.793 Model 6 Final Recall-score for input query structures: 0.895 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.871 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.868 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.799 Model 7 Final Recall-score for input query structures: 0.897 Final Precision-score for input query structures: 0.842 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.871 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.869 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.802 Model 8 Final Recall-score for input query structures: 0.9 Final Precision-score for input query structures: 0.842 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.871 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.87 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.805 Model 9 Final Recall-score for input query structures: 0.892 Final Precision-score for input query structures: 0.846 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.872 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.869 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.799 Model 10 Final Recall-score for input query structures: 0.896 Final Precision-score for input query structures: 0.844 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.872 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.87 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.803 Model 11 Final Recall-score for input query structures: 0.896 Final Precision-score for input query structures: 0.841 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.872 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.868 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.799 Model 12 Final Recall-score for input query structures: 0.896 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.87 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.869 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.802 Model 13 Final Recall-score for input query structures: 0.897 Final Precision-score for input query structures: 0.849 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.876 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.872 F-score of ideal true structures: 0.934 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.804 Model 14 Final Recall-score for input query structures: 0.896 Final Precision-score for input query structures: 0.841 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.87 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.868 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.799 Model 15 Final Recall-score for input query structures: 0.896 Final Precision-score for input query structures: 0.84 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.874 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.867 F-score of ideal true structures: 0.933 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.79 Model 16 Final Recall-score for input query structures: 0.894 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.873 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.868 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.796 Model 17 Final Recall-score for input query structures: 0.889 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.871 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.865 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.789 Model 18 Final Recall-score for input query structures: 0.897 Final Precision-score for input query structures: 0.84 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.871 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.868 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.799 Model 19 Final Recall-score for input query structures: 0.896 Final Precision-score for input query structures: 0.839 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.871 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.866 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.792 Model 20 Final Recall-score for input query structures: 0.891 Final Precision-score for input query structures: 0.846 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.873 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.868 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.796 Statistics: =========== NOESY_Assign: User CPU Time: 64.7 sec. Syst CPU Time: 0.7 sec. Other Processes: User CPU Time: 0.68 sec. Syst CPU Time: 0.06 sec. Total Elapsed Time: 66.2 sec.