# created by ASDP Version 1.0 Copyright(C) 2010 # Sat May 11 03:08:44 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/UUR17A_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q UUR17A_NMR_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: 0.0936(143/1528) Model 1 Inconsistent score: 0.101(155/1528) Model 2 Inconsistent score: 0.101(155/1528) Model 3 Inconsistent score: 0.105(160/1528) Model 4 Inconsistent score: 0.0975(149/1528) Model 5 Inconsistent score: 0.111(170/1528) Model 6 Inconsistent score: 0.106(162/1528) Model 7 Inconsistent score: 0.103(157/1528) Model 8 Inconsistent score: 0.104(159/1528) Model 9 Inconsistent score: 0.103(157/1528) Model 10 Inconsistent score: 0.101(155/1528) Model 11 Inconsistent score: 0.107(163/1528) Model 12 Inconsistent score: 0.103(158/1528) Model 13 Inconsistent score: 0.101(155/1528) Model 14 Inconsistent score: 0.108(165/1528) Model 15 Inconsistent score: 0.107(164/1528) Model 16 Inconsistent score: 0.0982(150/1528) Model 17 Inconsistent score: 0.101(155/1528) Model 18 Inconsistent score: 0.107(164/1528) Model 19 Inconsistent score: 0.105(161/1528) Model 20 Inconsistent score: 0.112(171/1528) Model ave Missing interactions: 0.256 (434/1696) weighted: 0.0309 (1.34e+05/4.32e+06) <3: 0 (0/218) <3w: 0 (0/1.17e+06) Model 1 Missing interactions: 0.273 (476/1741) weighted: 0.0437 (2.4e+05/5.49e+06) <3: 0 (0/214) <3w: 0 (0/1.22e+06) Model 2 Missing interactions: 0.284 (499/1757) weighted: 0.0488 (2.63e+05/5.38e+06) <3: 0 (0/220) <3w: 0 (0/1.2e+06) Model 3 Missing interactions: 0.282 (491/1739) weighted: 0.0466 (2.58e+05/5.54e+06) <3: 0 (0/217) <3w: 0 (0/1.22e+06) Model 4 Missing interactions: 0.283 (494/1743) weighted: 0.0417 (2.21e+05/5.3e+06) <3: 0 (0/220) <3w: 0 (0/1.26e+06) Model 5 Missing interactions: 0.283 (488/1726) weighted: 0.0353 (1.93e+05/5.47e+06) <3: 0 (0/217) <3w: 0 (0/1.23e+06) Model 6 Missing interactions: 0.279 (484/1733) weighted: 0.0373 (1.98e+05/5.29e+06) <3: 0 (0/218) <3w: 0 (0/1.28e+06) Model 7 Missing interactions: 0.277 (482/1738) weighted: 0.0463 (2.45e+05/5.3e+06) <3: 0 (0/220) <3w: 0 (0/1.28e+06) Model 8 Missing interactions: 0.283 (494/1745) weighted: 0.035 (1.82e+05/5.21e+06) <3: 0 (0/224) <3w: 0 (0/1.24e+06) Model 9 Missing interactions: 0.277 (481/1734) weighted: 0.0451 (2.47e+05/5.48e+06) <3: 0 (0/220) <3w: 0 (0/1.19e+06) Model 10 Missing interactions: 0.286 (496/1736) weighted: 0.0474 (2.54e+05/5.35e+06) <3: 0 (0/223) <3w: 0 (0/1.25e+06) Model 11 Missing interactions: 0.28 (481/1718) weighted: 0.0311 (1.62e+05/5.2e+06) <3: 0 (0/211) <3w: 0 (0/1.24e+06) Model 12 Missing interactions: 0.273 (469/1717) weighted: 0.0361 (1.92e+05/5.32e+06) <3: 0 (0/221) <3w: 0 (0/1.2e+06) Model 13 Missing interactions: 0.289 (509/1762) weighted: 0.0402 (2.09e+05/5.2e+06) <3: 0 (0/213) <3w: 0 (0/1.26e+06) Model 14 Missing interactions: 0.272 (467/1717) weighted: 0.0405 (2.11e+05/5.21e+06) <3: 0 (0/212) <3w: 0 (0/1.25e+06) Model 15 Missing interactions: 0.28 (481/1718) weighted: 0.0345 (1.82e+05/5.28e+06) <3: 0 (0/218) <3w: 0 (0/1.26e+06) Model 16 Missing interactions: 0.28 (488/1745) weighted: 0.0414 (2.19e+05/5.3e+06) <3: 0 (0/218) <3w: 0 (0/1.2e+06) Model 17 Missing interactions: 0.272 (471/1729) weighted: 0.0439 (2.33e+05/5.31e+06) <3: 0 (0/220) <3w: 0 (0/1.25e+06) Model 18 Missing interactions: 0.281 (484/1724) weighted: 0.0453 (2.51e+05/5.53e+06) <3: 0 (0/217) <3w: 0 (0/1.27e+06) Model 19 Missing interactions: 0.281 (489/1740) weighted: 0.0454 (2.37e+05/5.22e+06) <3: 0 (0/213) <3w: 0 (0/1.25e+06) Model 20 Missing interactions: 0.281 (488/1736) weighted: 0.0402 (2.12e+05/5.27e+06) <3: 0 (0/221) <3w: 0 (0/1.26e+06) Model ave Recall: 0.906 Precision: all: 0.744 allw: 0.969 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.899 Precision: all: 0.727 allw: 0.956 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.803 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.899 Precision: all: 0.716 allw: 0.951 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.895 Precision: all: 0.718 allw: 0.953 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.902 Precision: all: 0.717 allw: 0.958 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.799 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.889 Precision: all: 0.717 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.894 Precision: all: 0.721 allw: 0.963 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.798 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.897 Precision: all: 0.723 allw: 0.954 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.801 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.896 Precision: all: 0.717 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.897 Precision: all: 0.723 allw: 0.955 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.801 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.899 Precision: all: 0.714 allw: 0.953 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.893 Precision: all: 0.72 allw: 0.969 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.897 Precision: all: 0.727 allw: 0.964 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.803 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.899 Precision: all: 0.711 allw: 0.96 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.892 Precision: all: 0.728 allw: 0.959 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.802 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.893 Precision: all: 0.72 allw: 0.966 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.902 Precision: all: 0.72 allw: 0.959 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.801 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.899 Precision: all: 0.728 allw: 0.956 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.804 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.893 Precision: all: 0.719 allw: 0.955 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.895 Precision: all: 0.719 allw: 0.955 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.888 Precision: all: 0.719 allw: 0.96 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.795 F-measure:(Recall,PrecisionW) 0.923 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: 0.109(23/211) Model 1 Inconsistent score: 0.114(24/211) Model 2 Inconsistent score: 0.0995(21/211) Model 3 Inconsistent score: 0.109(23/211) Model 4 Inconsistent score: 0.128(27/211) Model 5 Inconsistent score: 0.118(25/211) Model 6 Inconsistent score: 0.114(24/211) Model 7 Inconsistent score: 0.109(23/211) Model 8 Inconsistent score: 0.104(22/211) Model 9 Inconsistent score: 0.114(24/211) Model 10 Inconsistent score: 0.128(27/211) Model 11 Inconsistent score: 0.128(27/211) Model 12 Inconsistent score: 0.123(26/211) Model 13 Inconsistent score: 0.109(23/211) Model 14 Inconsistent score: 0.123(26/211) Model 15 Inconsistent score: 0.114(24/211) Model 16 Inconsistent score: 0.133(28/211) Model 17 Inconsistent score: 0.133(28/211) Model 18 Inconsistent score: 0.123(26/211) Model 19 Inconsistent score: 0.137(29/211) Model 20 Inconsistent score: 0.147(31/211) Model ave Missing interactions: 0.505 (213/422) weighted: 0.266 (1.44e+05/5.42e+05) <3: 0.176 (3/17) <3w: 0.34 (2.83e+04/8.33e+04) Model 1 Missing interactions: 0.512 (221/432) weighted: 0.298 (2.12e+05/7.09e+05) <3: 0.176 (3/17) <3w: 0.343 (2.82e+04/8.22e+04) Model 2 Missing interactions: 0.525 (230/438) weighted: 0.269 (2.14e+05/7.96e+05) <3: 0.2 (3/15) <3w: 0.363 (2.87e+04/7.91e+04) Model 3 Missing interactions: 0.521 (224/430) weighted: 0.294 (2.23e+05/7.57e+05) <3: 0.167 (3/18) <3w: 0.347 (2.8e+04/8.05e+04) Model 4 Missing interactions: 0.507 (218/430) weighted: 0.257 (1.93e+05/7.52e+05) <3: 0.167 (3/18) <3w: 0.348 (2.82e+04/8.11e+04) Model 5 Missing interactions: 0.503 (218/433) weighted: 0.292 (2.17e+05/7.42e+05) <3: 0.167 (3/18) <3w: 0.322 (2.82e+04/8.75e+04) Model 6 Missing interactions: 0.506 (210/415) weighted: 0.256 (1.84e+05/7.16e+05) <3: 0.188 (3/16) <3w: 0.31 (2.87e+04/9.28e+04) Model 7 Missing interactions: 0.5 (211/422) weighted: 0.241 (1.68e+05/6.98e+05) <3: 0.188 (3/16) <3w: 0.349 (2.82e+04/8.09e+04) Model 8 Missing interactions: 0.532 (239/449) weighted: 0.287 (2.21e+05/7.7e+05) <3: 0.167 (3/18) <3w: 0.32 (2.8e+04/8.73e+04) Model 9 Missing interactions: 0.52 (229/440) weighted: 0.305 (2.54e+05/8.33e+05) <3: 0.2 (3/15) <3w: 0.352 (2.82e+04/8.02e+04) Model 10 Missing interactions: 0.514 (218/424) weighted: 0.319 (2.5e+05/7.82e+05) <3: 0.176 (3/17) <3w: 0.34 (2.8e+04/8.22e+04) Model 11 Missing interactions: 0.52 (223/429) weighted: 0.3 (2.53e+05/8.43e+05) <3: 0.167 (3/18) <3w: 0.316 (2.82e+04/8.93e+04) Model 12 Missing interactions: 0.517 (213/412) weighted: 0.272 (2.11e+05/7.77e+05) <3: 0.158 (3/19) <3w: 0.34 (2.8e+04/8.22e+04) Model 13 Missing interactions: 0.51 (223/437) weighted: 0.355 (2.84e+05/7.98e+05) <3: 0.167 (3/18) <3w: 0.341 (2.8e+04/8.19e+04) Model 14 Missing interactions: 0.523 (215/411) weighted: 0.284 (2.06e+05/7.28e+05) <3: 0.188 (3/16) <3w: 0.346 (2.85e+04/8.22e+04) Model 15 Missing interactions: 0.527 (235/446) weighted: 0.246 (1.93e+05/7.84e+05) <3: 0.158 (3/19) <3w: 0.343 (2.87e+04/8.37e+04) Model 16 Missing interactions: 0.528 (230/436) weighted: 0.293 (2.24e+05/7.66e+05) <3: 0.2 (3/15) <3w: 0.34 (2.85e+04/8.37e+04) Model 17 Missing interactions: 0.536 (226/422) weighted: 0.3 (2.18e+05/7.25e+05) <3: 0.2 (3/15) <3w: 0.291 (2.8e+04/9.61e+04) Model 18 Missing interactions: 0.496 (202/407) weighted: 0.283 (2.05e+05/7.25e+05) <3: 0.176 (3/17) <3w: 0.344 (2.82e+04/8.19e+04) Model 19 Missing interactions: 0.522 (221/423) weighted: 0.293 (2.24e+05/7.63e+05) <3: 0.176 (3/17) <3w: 0.294 (2.82e+04/9.61e+04) Model 20 Missing interactions: 0.516 (211/409) weighted: 0.257 (1.79e+05/6.96e+05) <3: 0.231 (3/13) <3w: 0.33 (2.8e+04/8.47e+04) Model ave Recall: 0.891 Precision: all: 0.495 allw: 0.734 <3: 0.824 <3w: 0.66 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.805 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.795 Model 1 Recall: 0.886 Precision: all: 0.488 allw: 0.702 <3: 0.824 <3w: 0.657 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.783 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.793 Model 2 Recall: 0.9 Precision: all: 0.475 allw: 0.731 <3: 0.8 <3w: 0.637 F-measure:(Recall,Precision) 0.622 F-measure:(Recall,PrecisionW) 0.807 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.778 Model 3 Recall: 0.891 Precision: all: 0.479 allw: 0.706 <3: 0.833 <3w: 0.653 F-measure:(Recall,Precision) 0.623 F-measure:(Recall,PrecisionW) 0.788 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.79 Model 4 Recall: 0.872 Precision: all: 0.493 allw: 0.743 <3: 0.833 <3w: 0.652 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.802 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.79 Model 5 Recall: 0.882 Precision: all: 0.497 allw: 0.708 <3: 0.833 <3w: 0.678 F-measure:(Recall,Precision) 0.635 F-measure:(Recall,PrecisionW) 0.785 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.808 Model 6 Recall: 0.886 Precision: all: 0.494 allw: 0.744 <3: 0.812 <3w: 0.69 F-measure:(Recall,Precision) 0.634 F-measure:(Recall,PrecisionW) 0.809 F-measure:(0,PrecisionIdeal) 0.897 F-measure:(0,PrecisionIdealW) 0.817 Model 7 Recall: 0.891 Precision: all: 0.5 allw: 0.759 <3: 0.812 <3w: 0.651 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.82 F-measure:(0,PrecisionIdeal) 0.897 F-measure:(0,PrecisionIdealW) 0.789 Model 8 Recall: 0.896 Precision: all: 0.468 allw: 0.713 <3: 0.833 <3w: 0.68 F-measure:(Recall,Precision) 0.615 F-measure:(Recall,PrecisionW) 0.794 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.809 Model 9 Recall: 0.886 Precision: all: 0.48 allw: 0.695 <3: 0.8 <3w: 0.648 F-measure:(Recall,Precision) 0.622 F-measure:(Recall,PrecisionW) 0.779 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.787 Model 10 Recall: 0.872 Precision: all: 0.486 allw: 0.681 <3: 0.824 <3w: 0.66 F-measure:(Recall,Precision) 0.624 F-measure:(Recall,PrecisionW) 0.764 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.795 Model 11 Recall: 0.872 Precision: all: 0.48 allw: 0.7 <3: 0.833 <3w: 0.684 F-measure:(Recall,Precision) 0.619 F-measure:(Recall,PrecisionW) 0.777 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.812 Model 12 Recall: 0.877 Precision: all: 0.483 allw: 0.728 <3: 0.842 <3w: 0.66 F-measure:(Recall,Precision) 0.623 F-measure:(Recall,PrecisionW) 0.796 F-measure:(0,PrecisionIdeal) 0.914 F-measure:(0,PrecisionIdealW) 0.795 Model 13 Recall: 0.891 Precision: all: 0.49 allw: 0.645 <3: 0.833 <3w: 0.659 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.748 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.794 Model 14 Recall: 0.877 Precision: all: 0.477 allw: 0.716 <3: 0.812 <3w: 0.654 F-measure:(Recall,Precision) 0.618 F-measure:(Recall,PrecisionW) 0.788 F-measure:(0,PrecisionIdeal) 0.897 F-measure:(0,PrecisionIdealW) 0.79 Model 15 Recall: 0.886 Precision: all: 0.473 allw: 0.754 <3: 0.842 <3w: 0.657 F-measure:(Recall,Precision) 0.617 F-measure:(Recall,PrecisionW) 0.815 F-measure:(0,PrecisionIdeal) 0.914 F-measure:(0,PrecisionIdealW) 0.793 Model 16 Recall: 0.867 Precision: all: 0.472 allw: 0.707 <3: 0.8 <3w: 0.66 F-measure:(Recall,Precision) 0.612 F-measure:(Recall,PrecisionW) 0.779 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.795 Model 17 Recall: 0.867 Precision: all: 0.464 allw: 0.7 <3: 0.8 <3w: 0.709 F-measure:(Recall,Precision) 0.605 F-measure:(Recall,PrecisionW) 0.774 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.83 Model 18 Recall: 0.877 Precision: all: 0.504 allw: 0.717 <3: 0.824 <3w: 0.656 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.789 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.792 Model 19 Recall: 0.863 Precision: all: 0.478 allw: 0.707 <3: 0.824 <3w: 0.706 F-measure:(Recall,Precision) 0.615 F-measure:(Recall,PrecisionW) 0.777 F-measure:(0,PrecisionIdeal) 0.903 F-measure:(0,PrecisionIdealW) 0.828 Model 20 Recall: 0.853 Precision: all: 0.484 allw: 0.743 <3: 0.769 <3w: 0.67 F-measure:(Recall,Precision) 0.618 F-measure:(Recall,PrecisionW) 0.794 F-measure:(0,PrecisionIdeal) 0.87 F-measure:(0,PrecisionIdealW) 0.802 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: 0.0862(298/3457) Model 1 Inconsistent score: 0.0853(295/3457) Model 2 Inconsistent score: 0.0897(310/3457) Model 3 Inconsistent score: 0.0911(315/3457) Model 4 Inconsistent score: 0.0885(306/3457) Model 5 Inconsistent score: 0.0929(321/3457) Model 6 Inconsistent score: 0.0879(304/3457) Model 7 Inconsistent score: 0.0845(292/3457) Model 8 Inconsistent score: 0.0856(296/3457) Model 9 Inconsistent score: 0.0845(292/3457) Model 10 Inconsistent score: 0.09(311/3457) Model 11 Inconsistent score: 0.0888(307/3457) Model 12 Inconsistent score: 0.0862(298/3457) Model 13 Inconsistent score: 0.092(318/3457) Model 14 Inconsistent score: 0.0914(316/3457) Model 15 Inconsistent score: 0.0882(305/3457) Model 16 Inconsistent score: 0.0926(320/3457) Model 17 Inconsistent score: 0.0848(293/3457) Model 18 Inconsistent score: 0.0897(310/3457) Model 19 Inconsistent score: 0.0955(330/3457) Model 20 Inconsistent score: 0.0937(324/3457) Model ave Missing interactions: 0.454 (2.18e+03/4799) weighted: 0.0757 (9.34e+05/1.23e+07) <3: 0.0202 (13/644) <3w: 0.00747 (4.88e+04/6.53e+06) Model 1 Missing interactions: 0.468 (2.32e+03/4969) weighted: 0.105 (1.61e+06/1.53e+07) <3: 0.0204 (13/638) <3w: 0.00706 (4.75e+04/6.74e+06) Model 2 Missing interactions: 0.472 (2.37e+03/5027) weighted: 0.115 (1.77e+06/1.54e+07) <3: 0.0201 (13/648) <3w: 0.00711 (4.77e+04/6.71e+06) Model 3 Missing interactions: 0.465 (2.27e+03/4877) weighted: 0.114 (1.77e+06/1.56e+07) <3: 0.0202 (13/644) <3w: 0.00758 (5.1e+04/6.73e+06) Model 4 Missing interactions: 0.475 (2.38e+03/5015) weighted: 0.104 (1.57e+06/1.51e+07) <3: 0.0201 (13/647) <3w: 0.00699 (4.74e+04/6.79e+06) Model 5 Missing interactions: 0.468 (2.28e+03/4863) weighted: 0.0954 (1.44e+06/1.51e+07) <3: 0.0202 (13/642) <3w: 0.00701 (4.73e+04/6.75e+06) Model 6 Missing interactions: 0.465 (2.29e+03/4923) weighted: 0.0912 (1.36e+06/1.49e+07) <3: 0.0202 (13/643) <3w: 0.00752 (5.05e+04/6.72e+06) Model 7 Missing interactions: 0.465 (2.32e+03/4990) weighted: 0.108 (1.66e+06/1.54e+07) <3: 0.0202 (13/645) <3w: 0.00757 (5.15e+04/6.8e+06) Model 8 Missing interactions: 0.469 (2.34e+03/4995) weighted: 0.103 (1.55e+06/1.5e+07) <3: 0.02 (13/651) <3w: 0.00713 (4.77e+04/6.69e+06) Model 9 Missing interactions: 0.473 (2.39e+03/5052) weighted: 0.118 (1.83e+06/1.55e+07) <3: 0.0202 (13/644) <3w: 0.00771 (5.12e+04/6.64e+06) Model 10 Missing interactions: 0.467 (2.29e+03/4909) weighted: 0.108 (1.65e+06/1.52e+07) <3: 0.02 (13/651) <3w: 0.00745 (4.98e+04/6.68e+06) Model 11 Missing interactions: 0.461 (2.25e+03/4880) weighted: 0.0986 (1.52e+06/1.54e+07) <3: 0.0204 (13/636) <3w: 0.00759 (5.08e+04/6.69e+06) Model 12 Missing interactions: 0.461 (2.27e+03/4914) weighted: 0.0979 (1.46e+06/1.49e+07) <3: 0.0202 (13/645) <3w: 0.00712 (4.74e+04/6.65e+06) Model 13 Missing interactions: 0.474 (2.38e+03/5009) weighted: 0.102 (1.54e+06/1.52e+07) <3: 0.0203 (13/640) <3w: 0.00711 (4.77e+04/6.71e+06) Model 14 Missing interactions: 0.457 (2.2e+03/4806) weighted: 0.0956 (1.4e+06/1.47e+07) <3: 0.0204 (13/637) <3w: 0.0071 (4.77e+04/6.72e+06) Model 15 Missing interactions: 0.471 (2.34e+03/4964) weighted: 0.118 (1.79e+06/1.52e+07) <3: 0.0201 (13/646) <3w: 0.00707 (4.74e+04/6.7e+06) Model 16 Missing interactions: 0.475 (2.36e+03/4973) weighted: 0.11 (1.67e+06/1.52e+07) <3: 0.0202 (13/642) <3w: 0.00714 (4.77e+04/6.68e+06) Model 17 Missing interactions: 0.468 (2.33e+03/4974) weighted: 0.106 (1.62e+06/1.53e+07) <3: 0.0201 (13/646) <3w: 0.0076 (5.06e+04/6.67e+06) Model 18 Missing interactions: 0.459 (2.23e+03/4867) weighted: 0.103 (1.56e+06/1.52e+07) <3: 0.0202 (13/645) <3w: 0.00713 (4.8e+04/6.74e+06) Model 19 Missing interactions: 0.466 (2.29e+03/4904) weighted: 0.117 (1.79e+06/1.53e+07) <3: 0.0203 (13/641) <3w: 0.00752 (5.02e+04/6.67e+06) Model 20 Missing interactions: 0.464 (2.25e+03/4855) weighted: 0.0993 (1.48e+06/1.49e+07) <3: 0.0202 (13/645) <3w: 0.00707 (4.73e+04/6.7e+06) Model ave Recall: 0.914 Precision: all: 0.546 allw: 0.924 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.684 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 1 Recall: 0.915 Precision: all: 0.532 allw: 0.895 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.673 F-measure:(Recall,PrecisionW) 0.905 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 2 Recall: 0.91 Precision: all: 0.528 allw: 0.885 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.668 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 3 Recall: 0.909 Precision: all: 0.535 allw: 0.886 <3: 0.98 <3w: 0.992 F-measure:(Recall,Precision) 0.674 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 4 Recall: 0.911 Precision: all: 0.525 allw: 0.896 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.666 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 5 Recall: 0.907 Precision: all: 0.532 allw: 0.905 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.671 F-measure:(Recall,PrecisionW) 0.906 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 6 Recall: 0.912 Precision: all: 0.535 allw: 0.909 <3: 0.98 <3w: 0.992 F-measure:(Recall,Precision) 0.674 F-measure:(Recall,PrecisionW) 0.91 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 7 Recall: 0.916 Precision: all: 0.535 allw: 0.892 <3: 0.98 <3w: 0.992 F-measure:(Recall,Precision) 0.675 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 8 Recall: 0.914 Precision: all: 0.531 allw: 0.897 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.671 F-measure:(Recall,PrecisionW) 0.905 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 9 Recall: 0.916 Precision: all: 0.527 allw: 0.882 <3: 0.98 <3w: 0.992 F-measure:(Recall,Precision) 0.669 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 10 Recall: 0.91 Precision: all: 0.533 allw: 0.892 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.672 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 11 Recall: 0.911 Precision: all: 0.539 allw: 0.901 <3: 0.98 <3w: 0.992 F-measure:(Recall,Precision) 0.677 F-measure:(Recall,PrecisionW) 0.906 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 12 Recall: 0.914 Precision: all: 0.539 allw: 0.902 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.678 F-measure:(Recall,PrecisionW) 0.908 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 13 Recall: 0.908 Precision: all: 0.526 allw: 0.898 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.666 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 14 Recall: 0.909 Precision: all: 0.543 allw: 0.904 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.679 F-measure:(Recall,PrecisionW) 0.907 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 15 Recall: 0.912 Precision: all: 0.529 allw: 0.882 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.67 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 16 Recall: 0.907 Precision: all: 0.525 allw: 0.89 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.665 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: 0.532 allw: 0.894 <3: 0.98 <3w: 0.992 F-measure:(Recall,Precision) 0.673 F-measure:(Recall,PrecisionW) 0.905 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 18 Recall: 0.91 Precision: all: 0.541 allw: 0.897 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.679 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 19 Recall: 0.905 Precision: all: 0.534 allw: 0.883 <3: 0.98 <3w: 0.992 F-measure:(Recall,Precision) 0.671 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.99 F-measure:(0,PrecisionIdealW) 0.996 Model 20 Recall: 0.906 Precision: all: 0.536 allw: 0.901 <3: 0.98 <3w: 0.993 F-measure:(Recall,Precision) 0.673 F-measure:(Recall,PrecisionW) 0.903 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: 0.911 Final Precision-score for input query structures: 0.93 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: 0.92 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.753 Model 1 Final Recall-score for input query structures: 0.909 Final Precision-score for input query structures: 0.904 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 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: 0.907 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.711 Model 2 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.896 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: 0.901 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: 0.904 Final Precision-score for input query structures: 0.897 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.99 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: 0.901 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.691 Model 4 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.906 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: 0.907 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.711 Model 5 Final Recall-score for input query structures: 0.901 Final Precision-score for input query structures: 0.913 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: 0.907 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.711 Model 6 Final Recall-score for input query structures: 0.906 Final Precision-score for input query structures: 0.917 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: 0.911 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.724 Model 7 Final Recall-score for input query structures: 0.909 Final Precision-score for input query structures: 0.903 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: 0.906 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.707 Model 8 Final Recall-score for input query structures: 0.908 Final Precision-score for input query structures: 0.907 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: 0.908 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.714 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: 0.99 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: 0.901 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: 0.905 Final Precision-score for input query structures: 0.899 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: 0.902 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.694 Model 11 Final Recall-score for input query structures: 0.904 Final Precision-score for input query structures: 0.91 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: 0.907 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.711 Model 12 Final Recall-score for input query structures: 0.907 Final Precision-score for input query structures: 0.911 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: 0.909 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.717 Model 13 Final Recall-score for input query structures: 0.905 Final Precision-score for input query structures: 0.904 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.991 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: 0.904 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.701 Model 14 Final Recall-score for input query structures: 0.902 Final Precision-score for input query structures: 0.912 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: 0.907 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.711 Model 15 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 16 Final Recall-score for input query structures: 0.904 Final Precision-score for input query structures: 0.901 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: 0.902 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.694 Model 17 Final Recall-score for input query structures: 0.908 Final Precision-score for input query structures: 0.903 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: 0.906 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.707 Model 18 Final Recall-score for input query structures: 0.904 Final Precision-score for input query structures: 0.906 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: 0.905 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.704 Model 19 Final Recall-score for input query structures: 0.9 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: 0.897 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.678 Model 20 Final Recall-score for input query structures: 0.899 Final Precision-score for input query structures: 0.91 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: 0.905 F-score of ideal true structures: 0.995 F-score of freely-rotating-chain model: 0.691 DP-Score: 0.704 Statistics: =========== NOESY_Assign: User CPU Time: 48.4 sec. Syst CPU Time: 0.75 sec. Other Processes: User CPU Time: 0.69 sec. Syst CPU Time: 0.06 sec. Total Elapsed Time: 49.9 sec.