# created by ASDP Version 1.0 Copyright(C) 2010 # Sat May 11 02:54:10 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/UUR17A_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q UUR17A_R3Cons_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 144 Number of peaks NOT matched in the Peak List: 6 M score = 0.042 Average shift in HX: 8.5e-05 Average ab-shift in HX: 0.003(Assignment used: 116) Average shift in X: 0.0064 Average ab-shift in X: 0.019(Assignment used: 110) Average shift in HX2: -0.00094 Average ab-shift in HX2: 0.0063(Assignment used: 130) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.106(162/1528) Model 1 Inconsistent score: 0.111(169/1528) Model 2 Inconsistent score: 0.0988(151/1528) Model 3 Inconsistent score: 0.101(154/1528) Model 4 Inconsistent score: 0.103(157/1528) Model 5 Inconsistent score: 0.105(161/1528) Model 6 Inconsistent score: 0.102(156/1528) Model 7 Inconsistent score: 0.105(160/1528) Model 8 Inconsistent score: 0.0982(150/1528) Model 9 Inconsistent score: 0.0982(150/1528) Model 10 Inconsistent score: 0.103(157/1528) Model 11 Inconsistent score: 0.106(162/1528) Model 12 Inconsistent score: 0.104(159/1528) Model 13 Inconsistent score: 0.104(159/1528) Model 14 Inconsistent score: 0.105(161/1528) Model 15 Inconsistent score: 0.0988(151/1528) Model 16 Inconsistent score: 0.109(167/1528) Model 17 Inconsistent score: 0.0969(148/1528) Model 18 Inconsistent score: 0.101(154/1528) Model 19 Inconsistent score: 0.0995(152/1528) Model 20 Inconsistent score: 0.101(155/1528) Model ave Missing interactions: 0.267 (449/1680) weighted: 0.029 (1.27e+05/4.38e+06) <3: 0 (0/222) <3w: 0 (0/1.11e+06) Model 1 Missing interactions: 0.291 (517/1775) weighted: 0.0368 (1.92e+05/5.22e+06) <3: 0 (0/229) <3w: 0 (0/1.14e+06) Model 2 Missing interactions: 0.295 (534/1810) weighted: 0.0475 (2.47e+05/5.2e+06) <3: 0 (0/235) <3w: 0 (0/1.15e+06) Model 3 Missing interactions: 0.296 (530/1789) weighted: 0.048 (2.48e+05/5.16e+06) <3: 0 (0/229) <3w: 0 (0/1.15e+06) Model 4 Missing interactions: 0.288 (513/1779) weighted: 0.048 (2.46e+05/5.12e+06) <3: 0 (0/237) <3w: 0 (0/1.14e+06) Model 5 Missing interactions: 0.301 (543/1806) weighted: 0.0461 (2.5e+05/5.42e+06) <3: 0 (0/231) <3w: 0 (0/1.13e+06) Model 6 Missing interactions: 0.292 (523/1791) weighted: 0.0483 (2.56e+05/5.31e+06) <3: 0 (0/229) <3w: 0 (0/1.16e+06) Model 7 Missing interactions: 0.295 (529/1794) weighted: 0.0431 (2.25e+05/5.21e+06) <3: 0 (0/223) <3w: 0 (0/1.16e+06) Model 8 Missing interactions: 0.291 (523/1795) weighted: 0.0461 (2.37e+05/5.14e+06) <3: 0 (0/233) <3w: 0 (0/1.18e+06) Model 9 Missing interactions: 0.294 (531/1809) weighted: 0.0431 (2.23e+05/5.17e+06) <3: 0 (0/228) <3w: 0 (0/1.17e+06) Model 10 Missing interactions: 0.292 (522/1790) weighted: 0.0649 (3.5e+05/5.39e+06) <3: 0 (0/225) <3w: 0 (0/1.13e+06) Model 11 Missing interactions: 0.281 (496/1763) weighted: 0.0478 (2.49e+05/5.21e+06) <3: 0 (0/225) <3w: 0 (0/1.16e+06) Model 12 Missing interactions: 0.284 (498/1755) weighted: 0.0477 (2.39e+05/5.02e+06) <3: 0 (0/224) <3w: 0 (0/1.15e+06) Model 13 Missing interactions: 0.283 (499/1761) weighted: 0.0475 (2.41e+05/5.09e+06) <3: 0 (0/226) <3w: 0 (0/1.15e+06) Model 14 Missing interactions: 0.285 (501/1758) weighted: 0.0416 (2.16e+05/5.18e+06) <3: 0 (0/231) <3w: 0 (0/1.17e+06) Model 15 Missing interactions: 0.283 (499/1761) weighted: 0.0554 (2.83e+05/5.12e+06) <3: 0 (0/217) <3w: 0 (0/1.1e+06) Model 16 Missing interactions: 0.298 (528/1769) weighted: 0.0434 (2.37e+05/5.46e+06) <3: 0 (0/229) <3w: 0 (0/1.18e+06) Model 17 Missing interactions: 0.295 (534/1813) weighted: 0.0548 (2.89e+05/5.27e+06) <3: 0 (0/229) <3w: 0 (0/1.16e+06) Model 18 Missing interactions: 0.286 (511/1786) weighted: 0.053 (2.76e+05/5.21e+06) <3: 0 (0/227) <3w: 0 (0/1.13e+06) Model 19 Missing interactions: 0.291 (529/1816) weighted: 0.0471 (2.47e+05/5.24e+06) <3: 0 (0/224) <3w: 0 (0/1.16e+06) Model 20 Missing interactions: 0.29 (517/1780) weighted: 0.0466 (2.45e+05/5.25e+06) <3: 0 (0/224) <3w: 0 (0/1.14e+06) Model ave Recall: 0.894 Precision: all: 0.733 allw: 0.971 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.805 F-measure:(Recall,PrecisionW) 0.931 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.889 Precision: all: 0.709 allw: 0.963 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.789 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.901 Precision: all: 0.705 allw: 0.953 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.791 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.899 Precision: all: 0.704 allw: 0.952 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.79 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.897 Precision: all: 0.712 allw: 0.952 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.895 Precision: all: 0.699 allw: 0.954 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.898 Precision: all: 0.708 allw: 0.952 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.792 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.895 Precision: all: 0.705 allw: 0.957 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.789 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.902 Precision: all: 0.709 allw: 0.954 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.902 Precision: all: 0.706 allw: 0.957 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.792 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.897 Precision: all: 0.708 allw: 0.935 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.792 F-measure:(Recall,PrecisionW) 0.916 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.894 Precision: all: 0.719 allw: 0.952 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.896 Precision: all: 0.716 allw: 0.952 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.896 Precision: all: 0.717 allw: 0.953 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.895 Precision: all: 0.715 allw: 0.958 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.795 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.901 Precision: all: 0.717 allw: 0.945 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.798 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.891 Precision: all: 0.702 allw: 0.957 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.903 Precision: all: 0.705 allw: 0.945 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.792 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.899 Precision: all: 0.714 allw: 0.947 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.901 Precision: all: 0.709 allw: 0.953 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.793 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.899 Precision: all: 0.71 allw: 0.953 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.793 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.403(616/1528) Model ave Missing interactions: 0.122 (108/884) weighted: 0.0376 (1.99e+04/5.29e+05) <3: 0 (0/170) <3w: 0 (0/2.94e+05) Recall: 0.597 Precision: all: 0.878 allw: 0.962 F-measure:(RecallFree,PrecisionFree) 0.711 F-measure:(ReallFree,PrecisionFreeW) 0.737 # Summary for c_aro.peaks Total simulated peaks: 32 Number of peaks NOT matched in the Peak List: 9 M score = 0.28 Average shift in HX: -0.0033 Average ab-shift in HX: 0.0061(Assignment used: 13) Average shift in X: -0.012 Average ab-shift in X: 0.062(Assignment used: 13) Average shift in HX2: -0.0038 Average ab-shift in HX2: 0.01(Assignment used: 18) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.0995(21/211) Model 1 Inconsistent score: 0.0995(21/211) Model 2 Inconsistent score: 0.109(23/211) Model 3 Inconsistent score: 0.104(22/211) Model 4 Inconsistent score: 0.114(24/211) Model 5 Inconsistent score: 0.0948(20/211) Model 6 Inconsistent score: 0.104(22/211) Model 7 Inconsistent score: 0.0948(20/211) Model 8 Inconsistent score: 0.118(25/211) Model 9 Inconsistent score: 0.0853(18/211) Model 10 Inconsistent score: 0.118(25/211) Model 11 Inconsistent score: 0.118(25/211) Model 12 Inconsistent score: 0.118(25/211) Model 13 Inconsistent score: 0.104(22/211) Model 14 Inconsistent score: 0.123(26/211) Model 15 Inconsistent score: 0.104(22/211) Model 16 Inconsistent score: 0.0995(21/211) Model 17 Inconsistent score: 0.0948(20/211) Model 18 Inconsistent score: 0.123(26/211) Model 19 Inconsistent score: 0.109(23/211) Model 20 Inconsistent score: 0.109(23/211) Model ave Missing interactions: 0.518 (228/440) weighted: 0.282 (1.54e+05/5.45e+05) <3: 0.176 (3/17) <3w: 0.362 (2.77e+04/7.66e+04) Model 1 Missing interactions: 0.534 (253/474) weighted: 0.356 (2.78e+05/7.82e+05) <3: 0.167 (3/18) <3w: 0.362 (2.77e+04/7.66e+04) Model 2 Missing interactions: 0.546 (250/458) weighted: 0.302 (2.33e+05/7.74e+05) <3: 0.158 (3/19) <3w: 0.357 (2.77e+04/7.77e+04) Model 3 Missing interactions: 0.527 (246/467) weighted: 0.271 (2.16e+05/7.96e+05) <3: 0.176 (3/17) <3w: 0.363 (2.72e+04/7.49e+04) Model 4 Missing interactions: 0.539 (256/475) weighted: 0.311 (2.54e+05/8.17e+05) <3: 0.167 (3/18) <3w: 0.369 (2.82e+04/7.65e+04) Model 5 Missing interactions: 0.528 (247/468) weighted: 0.302 (2.42e+05/8e+05) <3: 0.143 (3/21) <3w: 0.334 (2.77e+04/8.29e+04) Model 6 Missing interactions: 0.572 (282/493) weighted: 0.351 (3.13e+05/8.92e+05) <3: 0.167 (3/18) <3w: 0.363 (2.77e+04/7.62e+04) Model 7 Missing interactions: 0.543 (270/497) weighted: 0.333 (2.67e+05/8e+05) <3: 0.158 (3/19) <3w: 0.359 (2.72e+04/7.57e+04) Model 8 Missing interactions: 0.523 (231/442) weighted: 0.291 (2.09e+05/7.17e+05) <3: 0.15 (3/20) <3w: 0.361 (2.77e+04/7.67e+04) Model 9 Missing interactions: 0.535 (252/471) weighted: 0.318 (2.49e+05/7.83e+05) <3: 0.176 (3/17) <3w: 0.358 (2.72e+04/7.59e+04) Model 10 Missing interactions: 0.525 (234/446) weighted: 0.288 (2.22e+05/7.7e+05) <3: 0.167 (3/18) <3w: 0.365 (2.77e+04/7.6e+04) Model 11 Missing interactions: 0.531 (240/452) weighted: 0.304 (2.3e+05/7.56e+05) <3: 0.158 (3/19) <3w: 0.324 (2.82e+04/8.71e+04) Model 12 Missing interactions: 0.524 (233/445) weighted: 0.336 (2.5e+05/7.44e+05) <3: 0.15 (3/20) <3w: 0.325 (2.72e+04/8.35e+04) Model 13 Missing interactions: 0.538 (246/457) weighted: 0.316 (2.38e+05/7.55e+05) <3: 0.2 (3/15) <3w: 0.367 (2.72e+04/7.4e+04) Model 14 Missing interactions: 0.531 (239/450) weighted: 0.334 (2.46e+05/7.38e+05) <3: 0.158 (3/19) <3w: 0.364 (2.77e+04/7.61e+04) Model 15 Missing interactions: 0.528 (244/462) weighted: 0.364 (2.94e+05/8.09e+05) <3: 0.176 (3/17) <3w: 0.364 (2.77e+04/7.61e+04) Model 16 Missing interactions: 0.523 (241/461) weighted: 0.31 (2.44e+05/7.86e+05) <3: 0.158 (3/19) <3w: 0.359 (2.72e+04/7.57e+04) Model 17 Missing interactions: 0.548 (268/489) weighted: 0.313 (2.62e+05/8.37e+05) <3: 0.15 (3/20) <3w: 0.345 (2.77e+04/8.02e+04) Model 18 Missing interactions: 0.53 (248/468) weighted: 0.329 (2.51e+05/7.64e+05) <3: 0.176 (3/17) <3w: 0.357 (2.77e+04/7.77e+04) Model 19 Missing interactions: 0.537 (252/469) weighted: 0.333 (2.46e+05/7.4e+05) <3: 0.15 (3/20) <3w: 0.361 (2.72e+04/7.53e+04) Model 20 Missing interactions: 0.523 (241/461) weighted: 0.31 (2.47e+05/7.96e+05) <3: 0.176 (3/17) <3w: 0.368 (2.82e+04/7.66e+04) Model ave Recall: 0.9 Precision: all: 0.482 allw: 0.718 <3: 0.824 <3w: 0.638 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.799 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.779 Model 1 Recall: 0.9 Precision: all: 0.466 allw: 0.644 <3: 0.833 <3w: 0.638 F-measure:(Recall,Precision) 0.614 F-measure:(Recall,PrecisionW) 0.751 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.779 Model 2 Recall: 0.891 Precision: all: 0.454 allw: 0.698 <3: 0.842 <3w: 0.643 F-measure:(Recall,Precision) 0.602 F-measure:(Recall,PrecisionW) 0.783 F-measure:(0,PrecisionIdeal) 0.914 F-measure:(0,PrecisionIdealW) 0.783 Model 3 Recall: 0.896 Precision: all: 0.473 allw: 0.729 <3: 0.824 <3w: 0.637 F-measure:(Recall,Precision) 0.619 F-measure:(Recall,PrecisionW) 0.804 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.778 Model 4 Recall: 0.886 Precision: all: 0.461 allw: 0.689 <3: 0.833 <3w: 0.631 F-measure:(Recall,Precision) 0.607 F-measure:(Recall,PrecisionW) 0.775 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.774 Model 5 Recall: 0.905 Precision: all: 0.472 allw: 0.698 <3: 0.857 <3w: 0.666 F-measure:(Recall,Precision) 0.621 F-measure:(Recall,PrecisionW) 0.788 F-measure:(0,PrecisionIdeal) 0.923 F-measure:(0,PrecisionIdealW) 0.8 Model 6 Recall: 0.896 Precision: all: 0.428 allw: 0.649 <3: 0.833 <3w: 0.637 F-measure:(Recall,Precision) 0.579 F-measure:(Recall,PrecisionW) 0.752 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.778 Model 7 Recall: 0.905 Precision: all: 0.457 allw: 0.667 <3: 0.842 <3w: 0.641 F-measure:(Recall,Precision) 0.607 F-measure:(Recall,PrecisionW) 0.768 F-measure:(0,PrecisionIdeal) 0.914 F-measure:(0,PrecisionIdealW) 0.781 Model 8 Recall: 0.882 Precision: all: 0.477 allw: 0.709 <3: 0.85 <3w: 0.639 F-measure:(Recall,Precision) 0.619 F-measure:(Recall,PrecisionW) 0.786 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.78 Model 9 Recall: 0.915 Precision: all: 0.465 allw: 0.682 <3: 0.824 <3w: 0.642 F-measure:(Recall,Precision) 0.617 F-measure:(Recall,PrecisionW) 0.782 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.782 Model 10 Recall: 0.882 Precision: all: 0.475 allw: 0.712 <3: 0.833 <3w: 0.635 F-measure:(Recall,Precision) 0.618 F-measure:(Recall,PrecisionW) 0.788 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.777 Model 11 Recall: 0.882 Precision: all: 0.469 allw: 0.696 <3: 0.842 <3w: 0.676 F-measure:(Recall,Precision) 0.612 F-measure:(Recall,PrecisionW) 0.778 F-measure:(0,PrecisionIdeal) 0.914 F-measure:(0,PrecisionIdealW) 0.807 Model 12 Recall: 0.882 Precision: all: 0.476 allw: 0.664 <3: 0.85 <3w: 0.675 F-measure:(Recall,Precision) 0.619 F-measure:(Recall,PrecisionW) 0.757 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.806 Model 13 Recall: 0.896 Precision: all: 0.462 allw: 0.684 <3: 0.8 <3w: 0.633 F-measure:(Recall,Precision) 0.609 F-measure:(Recall,PrecisionW) 0.776 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.775 Model 14 Recall: 0.877 Precision: all: 0.469 allw: 0.666 <3: 0.842 <3w: 0.636 F-measure:(Recall,Precision) 0.611 F-measure:(Recall,PrecisionW) 0.757 F-measure:(0,PrecisionIdeal) 0.914 F-measure:(0,PrecisionIdealW) 0.778 Model 15 Recall: 0.896 Precision: all: 0.472 allw: 0.636 <3: 0.824 <3w: 0.636 F-measure:(Recall,Precision) 0.618 F-measure:(Recall,PrecisionW) 0.744 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.778 Model 16 Recall: 0.9 Precision: all: 0.477 allw: 0.69 <3: 0.842 <3w: 0.641 F-measure:(Recall,Precision) 0.624 F-measure:(Recall,PrecisionW) 0.781 F-measure:(0,PrecisionIdeal) 0.914 F-measure:(0,PrecisionIdealW) 0.781 Model 17 Recall: 0.905 Precision: all: 0.452 allw: 0.687 <3: 0.85 <3w: 0.655 F-measure:(Recall,Precision) 0.603 F-measure:(Recall,PrecisionW) 0.781 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.791 Model 18 Recall: 0.877 Precision: all: 0.47 allw: 0.671 <3: 0.824 <3w: 0.643 F-measure:(Recall,Precision) 0.612 F-measure:(Recall,PrecisionW) 0.76 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.783 Model 19 Recall: 0.891 Precision: all: 0.463 allw: 0.667 <3: 0.85 <3w: 0.639 F-measure:(Recall,Precision) 0.609 F-measure:(Recall,PrecisionW) 0.763 F-measure:(0,PrecisionIdeal) 0.919 F-measure:(0,PrecisionIdealW) 0.78 Model 20 Recall: 0.891 Precision: all: 0.477 allw: 0.69 <3: 0.824 <3w: 0.632 F-measure:(Recall,Precision) 0.622 F-measure:(Recall,PrecisionW) 0.778 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.774 For freely-rotating-chain model: Model ave Inconsistent score: 0.664(140/211) Model ave Missing interactions: 0.31 (22/71) weighted: 0.296 (5.18e+03/1.75e+04) <3: 0.375 (3/8) <3w: 0.375 (2.79e+03/7.43e+03) Recall: 0.336 Precision: all: 0.69 allw: 0.704 F-measure:(RecallFree,PrecisionFree) 0.452 F-measure:(ReallFree,PrecisionFreeW) 0.455 # Summary for c_ali.peaks Total simulated peaks: 700 Number of peaks NOT matched in the Peak List: 57 M score = 0.081 Average shift in HX: -0.0005 Average ab-shift in HX: 0.0031(Assignment used: 357) Average shift in X: 0.0012 Average ab-shift in X: 0.054(Assignment used: 285) Average shift in HX2: -0.0011 Average ab-shift in HX2: 0.0064(Assignment used: 439) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.09(311/3457) Model 1 Inconsistent score: 0.0897(310/3457) Model 2 Inconsistent score: 0.083(287/3457) Model 3 Inconsistent score: 0.0894(309/3457) Model 4 Inconsistent score: 0.0894(309/3457) Model 5 Inconsistent score: 0.0874(302/3457) Model 6 Inconsistent score: 0.0926(320/3457) Model 7 Inconsistent score: 0.0876(303/3457) Model 8 Inconsistent score: 0.0888(307/3457) Model 9 Inconsistent score: 0.0885(306/3457) Model 10 Inconsistent score: 0.0876(303/3457) Model 11 Inconsistent score: 0.0879(304/3457) Model 12 Inconsistent score: 0.0865(299/3457) Model 13 Inconsistent score: 0.0885(306/3457) Model 14 Inconsistent score: 0.0882(305/3457) Model 15 Inconsistent score: 0.0891(308/3457) Model 16 Inconsistent score: 0.09(311/3457) Model 17 Inconsistent score: 0.085(294/3457) Model 18 Inconsistent score: 0.0923(319/3457) Model 19 Inconsistent score: 0.0908(314/3457) Model 20 Inconsistent score: 0.0876(303/3457) Model ave Missing interactions: 0.45 (2.12e+03/4704) weighted: 0.0804 (1.01e+06/1.26e+07) <3: 0.0201 (13/648) <3w: 0.00708 (4.69e+04/6.62e+06) Model 1 Missing interactions: 0.477 (2.4e+03/5038) weighted: 0.121 (1.86e+06/1.54e+07) <3: 0.0199 (13/652) <3w: 0.00664 (4.59e+04/6.91e+06) Model 2 Missing interactions: 0.48 (2.48e+03/5166) weighted: 0.12 (1.87e+06/1.56e+07) <3: 0.0195 (13/665) <3w: 0.00713 (4.89e+04/6.87e+06) Model 3 Missing interactions: 0.476 (2.42e+03/5081) weighted: 0.125 (1.92e+06/1.54e+07) <3: 0.0197 (13/661) <3w: 0.00697 (4.79e+04/6.88e+06) Model 4 Missing interactions: 0.479 (2.45e+03/5108) weighted: 0.12 (1.84e+06/1.54e+07) <3: 0.0195 (13/668) <3w: 0.00712 (4.87e+04/6.84e+06) Model 5 Missing interactions: 0.473 (2.38e+03/5030) weighted: 0.117 (1.8e+06/1.53e+07) <3: 0.0197 (13/661) <3w: 0.00717 (4.84e+04/6.74e+06) Model 6 Missing interactions: 0.488 (2.51e+03/5145) weighted: 0.128 (2.01e+06/1.57e+07) <3: 0.0198 (13/656) <3w: 0.00711 (4.86e+04/6.84e+06) Model 7 Missing interactions: 0.482 (2.46e+03/5104) weighted: 0.119 (1.82e+06/1.53e+07) <3: 0.02 (13/651) <3w: 0.0071 (4.89e+04/6.89e+06) Model 8 Missing interactions: 0.476 (2.41e+03/5073) weighted: 0.122 (1.9e+06/1.55e+07) <3: 0.0196 (13/664) <3w: 0.00703 (4.86e+04/6.91e+06) Model 9 Missing interactions: 0.484 (2.48e+03/5128) weighted: 0.117 (1.8e+06/1.54e+07) <3: 0.0199 (13/654) <3w: 0.00711 (4.9e+04/6.89e+06) Model 10 Missing interactions: 0.474 (2.39e+03/5032) weighted: 0.12 (1.87e+06/1.56e+07) <3: 0.0199 (13/654) <3w: 0.00726 (4.9e+04/6.75e+06) Model 11 Missing interactions: 0.475 (2.38e+03/5010) weighted: 0.103 (1.53e+06/1.49e+07) <3: 0.02 (13/651) <3w: 0.0072 (4.92e+04/6.84e+06) Model 12 Missing interactions: 0.471 (2.36e+03/5019) weighted: 0.118 (1.77e+06/1.5e+07) <3: 0.02 (13/651) <3w: 0.00708 (4.86e+04/6.86e+06) Model 13 Missing interactions: 0.47 (2.34e+03/4991) weighted: 0.111 (1.69e+06/1.52e+07) <3: 0.0199 (13/652) <3w: 0.00701 (4.82e+04/6.88e+06) Model 14 Missing interactions: 0.475 (2.37e+03/4991) weighted: 0.111 (1.65e+06/1.48e+07) <3: 0.0197 (13/659) <3w: 0.00713 (4.9e+04/6.87e+06) Model 15 Missing interactions: 0.472 (2.35e+03/4984) weighted: 0.122 (1.86e+06/1.52e+07) <3: 0.0202 (13/645) <3w: 0.00743 (4.98e+04/6.7e+06) Model 16 Missing interactions: 0.474 (2.37e+03/4994) weighted: 0.112 (1.73e+06/1.54e+07) <3: 0.0197 (13/659) <3w: 0.00711 (4.87e+04/6.85e+06) Model 17 Missing interactions: 0.482 (2.47e+03/5129) weighted: 0.13 (2.02e+06/1.56e+07) <3: 0.0198 (13/658) <3w: 0.00721 (4.91e+04/6.81e+06) Model 18 Missing interactions: 0.48 (2.43e+03/5056) weighted: 0.138 (2.13e+06/1.54e+07) <3: 0.02 (13/651) <3w: 0.00722 (4.91e+04/6.81e+06) Model 19 Missing interactions: 0.483 (2.49e+03/5145) weighted: 0.129 (2.02e+06/1.57e+07) <3: 0.0199 (13/653) <3w: 0.00708 (4.83e+04/6.83e+06) Model 20 Missing interactions: 0.477 (2.4e+03/5032) weighted: 0.129 (1.97e+06/1.53e+07) <3: 0.02 (13/650) <3w: 0.00712 (4.86e+04/6.82e+06) Model ave Recall: 0.91 Precision: all: 0.55 allw: 0.92 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.686 F-measure:(Recall,PrecisionW) 0.915 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 1 Recall: 0.91 Precision: all: 0.523 allw: 0.879 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.664 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.997 Model 2 Recall: 0.917 Precision: all: 0.52 allw: 0.88 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.664 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 3 Recall: 0.911 Precision: all: 0.524 allw: 0.875 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.665 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.997 Model 4 Recall: 0.911 Precision: all: 0.521 allw: 0.88 <3: 0.981 <3w: 0.993 F-measure:(Recall,Precision) 0.663 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 5 Recall: 0.913 Precision: all: 0.527 allw: 0.883 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.668 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 6 Recall: 0.907 Precision: all: 0.512 allw: 0.872 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.655 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 7 Recall: 0.912 Precision: all: 0.518 allw: 0.881 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 8 Recall: 0.911 Precision: all: 0.524 allw: 0.878 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.665 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 9 Recall: 0.911 Precision: all: 0.516 allw: 0.883 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.659 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 10 Recall: 0.912 Precision: all: 0.526 allw: 0.88 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.667 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 11 Recall: 0.912 Precision: all: 0.525 allw: 0.897 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.667 F-measure:(Recall,PrecisionW) 0.905 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 12 Recall: 0.914 Precision: all: 0.529 allw: 0.882 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.67 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 13 Recall: 0.911 Precision: all: 0.53 allw: 0.889 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.67 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 14 Recall: 0.912 Precision: all: 0.525 allw: 0.889 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.666 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 15 Recall: 0.911 Precision: all: 0.528 allw: 0.878 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.669 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 16 Recall: 0.91 Precision: all: 0.526 allw: 0.888 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.667 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 17 Recall: 0.915 Precision: all: 0.518 allw: 0.87 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 18 Recall: 0.908 Precision: all: 0.52 allw: 0.862 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 19 Recall: 0.909 Precision: all: 0.517 allw: 0.871 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.659 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 20 Recall: 0.912 Precision: all: 0.523 allw: 0.871 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.665 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 For freely-rotating-chain model: Model ave Inconsistent score: 0.451(1558/3457) Model ave Missing interactions: 0.32 (620/1940) weighted: 0.0984 (1.49e+05/1.52e+06) <3: 0.0222 (13/585) <3w: 0.0129 (1.41e+04/1.09e+06) Recall: 0.549 Precision: all: 0.68 allw: 0.902 F-measure:(RecallFree,PrecisionFree) 0.608 F-measure:(ReallFree,PrecisionFreeW) 0.683 Final M-score 0.0822 72/876 Model ave Final Recall-score for input query structures: 0.905 Final Precision-score for input query structures: 0.926 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.915 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.737 Model 1 Final Recall-score for input query structures: 0.904 Final Precision-score for input query structures: 0.891 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.897 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.678 Model 2 Final Recall-score for input query structures: 0.911 Final Precision-score for input query structures: 0.891 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.691 Model 3 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.888 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.897 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.678 Model 4 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.89 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.898 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.681 Model 5 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.894 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.687 Model 6 Final Recall-score for input query structures: 0.904 Final Precision-score for input query structures: 0.882 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.893 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.664 Model 7 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.891 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.684 Model 8 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.89 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.684 Model 9 Final Recall-score for input query structures: 0.909 Final Precision-score for input query structures: 0.893 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.691 Model 10 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.887 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.897 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.678 Model 11 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.904 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.905 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.704 Model 12 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.891 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.684 Model 13 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.897 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.902 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.694 Model 14 Final Recall-score for input query structures: 0.905 Final Precision-score for input query structures: 0.898 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.902 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.694 Model 15 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.885 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.896 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.674 Model 16 Final Recall-score for input query structures: 0.904 Final Precision-score for input query structures: 0.898 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.691 Model 17 Final Recall-score for input query structures: 0.911 Final Precision-score for input query structures: 0.881 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.896 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.674 Model 18 Final Recall-score for input query structures: 0.904 Final Precision-score for input query structures: 0.876 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.89 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.655 Model 19 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.884 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.895 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.671 Model 20 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.885 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 Final Recall-score for freely-rotating-chain model: 0.555 Final Precision-score for freely-rotating-chain model: 0.915 Summary: F-score of input query structures: 0.896 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.674 Statistics: =========== NOESY_Assign: User CPU Time: 48.8 sec. Syst CPU Time: 0.77 sec. Other Processes: User CPU Time: 0.66 sec. Syst CPU Time: 0.06 sec. Total Elapsed Time: 50.3 sec.