# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 17:26:41 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SR213_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SR213_NMR_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 143 Number of peaks NOT matched in the Peak List: 3 M score = 0.021 Average shift in HX: 0.00018 Average ab-shift in HX: 0.0025(Assignment used: 104) Average shift in X: 0.0046 Average ab-shift in X: 0.025(Assignment used: 99) Average shift in HX2: -0.0003 Average ab-shift in HX2: 0.0025(Assignment used: 138) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0333(53/1593) Model 1 Inconsistent score: 0.0326(52/1593) Model 2 Inconsistent score: 0.0339(54/1593) Model 3 Inconsistent score: 0.0339(54/1593) Model 4 Inconsistent score: 0.0333(53/1593) Model 5 Inconsistent score: 0.0364(58/1593) Model 6 Inconsistent score: 0.027(43/1593) Model 7 Inconsistent score: 0.0333(53/1593) Model 8 Inconsistent score: 0.0333(53/1593) Model 9 Inconsistent score: 0.0345(55/1593) Model 10 Inconsistent score: 0.0345(55/1593) Model 11 Inconsistent score: 0.037(59/1593) Model 12 Inconsistent score: 0.037(59/1593) Model 13 Inconsistent score: 0.0314(50/1593) Model 14 Inconsistent score: 0.0326(52/1593) Model 15 Inconsistent score: 0.0358(57/1593) Model 16 Inconsistent score: 0.0326(52/1593) Model 17 Inconsistent score: 0.032(51/1593) Model 18 Inconsistent score: 0.0339(54/1593) Model 19 Inconsistent score: 0.0358(57/1593) Model 20 Inconsistent score: 0.0358(57/1593) Model ave Missing interactions: 0.236 (390/1654) weighted: 0.0398 (1.42e+05/3.57e+06) <3: 0.00645 (1/155) <3w: 0.00457 (3.89e+03/8.51e+05) Model 1 Missing interactions: 0.263 (460/1750) weighted: 0.0471 (1.91e+05/4.06e+06) <3: 0.00637 (1/157) <3w: 0.00391 (3.43e+03/8.78e+05) Model 2 Missing interactions: 0.253 (436/1720) weighted: 0.0652 (2.66e+05/4.08e+06) <3: 0.00641 (1/156) <3w: 0.00457 (3.98e+03/8.71e+05) Model 3 Missing interactions: 0.256 (446/1739) weighted: 0.0573 (2.32e+05/4.05e+06) <3: 0.00641 (1/156) <3w: 0.0044 (3.73e+03/8.48e+05) Model 4 Missing interactions: 0.239 (407/1700) weighted: 0.0525 (2.1e+05/4e+06) <3: 0.00629 (1/159) <3w: 0.00438 (3.81e+03/8.7e+05) Model 5 Missing interactions: 0.258 (450/1747) weighted: 0.0647 (2.68e+05/4.14e+06) <3: 0.00617 (1/162) <3w: 0.00439 (3.81e+03/8.68e+05) Model 6 Missing interactions: 0.258 (453/1756) weighted: 0.05 (2.06e+05/4.12e+06) <3: 0.00621 (1/161) <3w: 0.00475 (4.06e+03/8.55e+05) Model 7 Missing interactions: 0.261 (452/1735) weighted: 0.074 (3.08e+05/4.16e+06) <3: 0.00637 (1/157) <3w: 0.00407 (3.58e+03/8.79e+05) Model 8 Missing interactions: 0.252 (438/1740) weighted: 0.0499 (2.03e+05/4.07e+06) <3: 0.00645 (1/155) <3w: 0.0054 (4.62e+03/8.56e+05) Model 9 Missing interactions: 0.261 (453/1736) weighted: 0.0455 (1.87e+05/4.11e+06) <3: 0.00625 (1/160) <3w: 0.0045 (3.81e+03/8.48e+05) Model 10 Missing interactions: 0.246 (423/1721) weighted: 0.059 (2.35e+05/3.97e+06) <3: 0.00641 (1/156) <3w: 0.00476 (4.06e+03/8.54e+05) Model 11 Missing interactions: 0.249 (429/1723) weighted: 0.0482 (1.95e+05/4.04e+06) <3: 0.00645 (1/155) <3w: 0.00483 (4.24e+03/8.78e+05) Model 12 Missing interactions: 0.259 (449/1736) weighted: 0.0686 (2.83e+05/4.13e+06) <3: 0.00633 (1/158) <3w: 0.00428 (3.73e+03/8.73e+05) Model 13 Missing interactions: 0.251 (433/1728) weighted: 0.0583 (2.39e+05/4.1e+06) <3: 0.00629 (1/159) <3w: 0.0038 (3.36e+03/8.85e+05) Model 14 Missing interactions: 0.257 (450/1750) weighted: 0.0597 (2.46e+05/4.12e+06) <3: 0.00621 (1/161) <3w: 0.00462 (4.06e+03/8.78e+05) Model 15 Missing interactions: 0.245 (419/1712) weighted: 0.0448 (1.79e+05/3.99e+06) <3: 0.00621 (1/161) <3w: 0.00391 (3.43e+03/8.78e+05) Model 16 Missing interactions: 0.257 (446/1738) weighted: 0.0646 (2.63e+05/4.06e+06) <3: 0.00637 (1/157) <3w: 0.00369 (3.29e+03/8.92e+05) Model 17 Missing interactions: 0.25 (432/1726) weighted: 0.0529 (2.19e+05/4.14e+06) <3: 0.00645 (1/155) <3w: 0.00452 (3.89e+03/8.62e+05) Model 18 Missing interactions: 0.256 (446/1744) weighted: 0.0549 (2.28e+05/4.16e+06) <3: 0.00641 (1/156) <3w: 0.00392 (3.5e+03/8.94e+05) Model 19 Missing interactions: 0.249 (432/1732) weighted: 0.0569 (2.31e+05/4.05e+06) <3: 0.00637 (1/157) <3w: 0.00431 (3.73e+03/8.66e+05) Model 20 Missing interactions: 0.256 (444/1735) weighted: 0.0529 (2.17e+05/4.1e+06) <3: 0.00637 (1/157) <3w: 0.00454 (3.98e+03/8.76e+05) Model ave Recall: 0.967 Precision: all: 0.764 allw: 0.96 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.854 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.967 Precision: all: 0.737 allw: 0.953 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 2 Recall: 0.966 Precision: all: 0.747 allw: 0.935 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.842 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 3 Recall: 0.966 Precision: all: 0.744 allw: 0.943 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 4 Recall: 0.967 Precision: all: 0.761 allw: 0.947 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.851 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 5 Recall: 0.964 Precision: all: 0.742 allw: 0.935 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.839 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 6 Recall: 0.973 Precision: all: 0.742 allw: 0.95 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.842 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 7 Recall: 0.967 Precision: all: 0.739 allw: 0.926 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.838 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 8 Recall: 0.967 Precision: all: 0.748 allw: 0.95 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.844 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.997 Model 9 Recall: 0.965 Precision: all: 0.739 allw: 0.954 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 10 Recall: 0.965 Precision: all: 0.754 allw: 0.941 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.847 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 11 Recall: 0.963 Precision: all: 0.751 allw: 0.952 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.844 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 12 Recall: 0.963 Precision: all: 0.741 allw: 0.931 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.838 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 13 Recall: 0.969 Precision: all: 0.749 allw: 0.942 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.845 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 14 Recall: 0.967 Precision: all: 0.743 allw: 0.94 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 15 Recall: 0.964 Precision: all: 0.755 allw: 0.955 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.847 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 16 Recall: 0.967 Precision: all: 0.743 allw: 0.935 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.841 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 17 Recall: 0.968 Precision: all: 0.75 allw: 0.947 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.845 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 18 Recall: 0.966 Precision: all: 0.744 allw: 0.945 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.841 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 19 Recall: 0.964 Precision: all: 0.751 allw: 0.943 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.844 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 20 Recall: 0.964 Precision: all: 0.744 allw: 0.947 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 For freely-rotating-chain model: Model ave Inconsistent score: 0.325(517/1593) Model ave Missing interactions: 0.0929 (72/775) weighted: 0.0434 (1.9e+04/4.39e+05) <3: 0.0134 (2/149) <3w: 0.0276 (6.49e+03/2.35e+05) Recall: 0.675 Precision: all: 0.907 allw: 0.957 F-measure:(RecallFree,PrecisionFree) 0.774 F-measure:(ReallFree,PrecisionFreeW) 0.792 # Summary for c_aro.peaks Total simulated peaks: 26 Number of peaks NOT matched in the Peak List: 1 M score = 0.038 Average shift in HX: -0.0028 Average ab-shift in HX: 0.0036(Assignment used: 14) Average shift in X: 0.035 Average ab-shift in X: 0.046(Assignment used: 14) Average shift in HX2: -0.0018 Average ab-shift in HX2: 0.0037(Assignment used: 24) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.0821(23/280) Model 1 Inconsistent score: 0.1(28/280) Model 2 Inconsistent score: 0.104(29/280) Model 3 Inconsistent score: 0.0857(24/280) Model 4 Inconsistent score: 0.111(31/280) Model 5 Inconsistent score: 0.0857(24/280) Model 6 Inconsistent score: 0.104(29/280) Model 7 Inconsistent score: 0.0821(23/280) Model 8 Inconsistent score: 0.0857(24/280) Model 9 Inconsistent score: 0.0857(24/280) Model 10 Inconsistent score: 0.125(35/280) Model 11 Inconsistent score: 0.0929(26/280) Model 12 Inconsistent score: 0.104(29/280) Model 13 Inconsistent score: 0.0964(27/280) Model 14 Inconsistent score: 0.0893(25/280) Model 15 Inconsistent score: 0.125(35/280) Model 16 Inconsistent score: 0.0929(26/280) Model 17 Inconsistent score: 0.111(31/280) Model 18 Inconsistent score: 0.0893(25/280) Model 19 Inconsistent score: 0.129(36/280) Model 20 Inconsistent score: 0.107(30/280) Model ave Missing interactions: 0.444 (185/417) weighted: 0.121 (4.67e+04/3.86e+05) <3: 0.174 (4/23) <3w: 0.00392 (465/1.19e+05) Model 1 Missing interactions: 0.469 (220/469) weighted: 0.217 (1.42e+05/6.55e+05) <3: 0.174 (4/23) <3w: 0.00392 (463/1.18e+05) Model 2 Missing interactions: 0.484 (220/455) weighted: 0.245 (1.57e+05/6.43e+05) <3: 0.167 (4/24) <3w: 0.0039 (462/1.18e+05) Model 3 Missing interactions: 0.47 (210/447) weighted: 0.282 (2.21e+05/7.85e+05) <3: 0.167 (4/24) <3w: 0.00392 (463/1.18e+05) Model 4 Missing interactions: 0.473 (204/431) weighted: 0.163 (9.72e+04/5.95e+05) <3: 0.167 (4/24) <3w: 0.00398 (467/1.17e+05) Model 5 Missing interactions: 0.488 (222/455) weighted: 0.221 (1.67e+05/7.55e+05) <3: 0.16 (4/25) <3w: 0.00393 (462/1.18e+05) Model 6 Missing interactions: 0.501 (236/471) weighted: 0.219 (1.7e+05/7.78e+05) <3: 0.16 (4/25) <3w: 0.00394 (467/1.18e+05) Model 7 Missing interactions: 0.482 (228/473) weighted: 0.207 (1.47e+05/7.12e+05) <3: 0.174 (4/23) <3w: 0.00394 (467/1.18e+05) Model 8 Missing interactions: 0.46 (201/437) weighted: 0.238 (1.39e+05/5.82e+05) <3: 0.167 (4/24) <3w: 0.00392 (462/1.18e+05) Model 9 Missing interactions: 0.462 (205/444) weighted: 0.276 (2.02e+05/7.31e+05) <3: 0.167 (4/24) <3w: 0.00396 (467/1.18e+05) Model 10 Missing interactions: 0.484 (202/417) weighted: 0.191 (1.11e+05/5.82e+05) <3: 0.174 (4/23) <3w: 0.00394 (462/1.17e+05) Model 11 Missing interactions: 0.486 (215/442) weighted: 0.182 (1.16e+05/6.37e+05) <3: 0.174 (4/23) <3w: 0.00392 (463/1.18e+05) Model 12 Missing interactions: 0.491 (220/448) weighted: 0.335 (2.58e+05/7.71e+05) <3: 0.167 (4/24) <3w: 0.00392 (462/1.18e+05) Model 13 Missing interactions: 0.481 (211/439) weighted: 0.302 (2.23e+05/7.39e+05) <3: 0.167 (4/24) <3w: 0.00391 (462/1.18e+05) Model 14 Missing interactions: 0.483 (231/478) weighted: 0.208 (1.56e+05/7.51e+05) <3: 0.16 (4/25) <3w: 0.00394 (467/1.19e+05) Model 15 Missing interactions: 0.485 (208/429) weighted: 0.249 (1.57e+05/6.3e+05) <3: 0.167 (4/24) <3w: 0.00392 (463/1.18e+05) Model 16 Missing interactions: 0.479 (208/434) weighted: 0.194 (1.35e+05/6.94e+05) <3: 0.167 (4/24) <3w: 0.00394 (467/1.19e+05) Model 17 Missing interactions: 0.482 (216/448) weighted: 0.225 (1.48e+05/6.59e+05) <3: 0.174 (4/23) <3w: 0.00391 (467/1.19e+05) Model 18 Missing interactions: 0.488 (231/473) weighted: 0.189 (1.3e+05/6.88e+05) <3: 0.174 (4/23) <3w: 0.00395 (467/1.18e+05) Model 19 Missing interactions: 0.454 (181/399) weighted: 0.16 (8.18e+04/5.13e+05) <3: 0.167 (4/24) <3w: 0.00396 (467/1.18e+05) Model 20 Missing interactions: 0.478 (203/425) weighted: 0.136 (8.49e+04/6.25e+05) <3: 0.167 (4/24) <3w: 0.00397 (467/1.17e+05) Model ave Recall: 0.918 Precision: all: 0.556 allw: 0.879 <3: 0.826 <3w: 0.996 F-measure:(Recall,Precision) 0.693 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.9 Precision: all: 0.531 allw: 0.783 <3: 0.826 <3w: 0.996 F-measure:(Recall,Precision) 0.668 F-measure:(Recall,PrecisionW) 0.837 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.998 Model 2 Recall: 0.896 Precision: all: 0.516 allw: 0.755 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.655 F-measure:(Recall,PrecisionW) 0.82 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 3 Recall: 0.914 Precision: all: 0.53 allw: 0.718 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.671 F-measure:(Recall,PrecisionW) 0.804 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 4 Recall: 0.889 Precision: all: 0.527 allw: 0.837 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.662 F-measure:(Recall,PrecisionW) 0.862 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 5 Recall: 0.914 Precision: all: 0.512 allw: 0.779 <3: 0.84 <3w: 0.996 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.841 F-measure:(0,PrecisionIdeal) 0.913 F-measure:(0,PrecisionIdealW) 0.998 Model 6 Recall: 0.896 Precision: all: 0.499 allw: 0.781 <3: 0.84 <3w: 0.996 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.835 F-measure:(0,PrecisionIdeal) 0.913 F-measure:(0,PrecisionIdealW) 0.998 Model 7 Recall: 0.918 Precision: all: 0.518 allw: 0.793 <3: 0.826 <3w: 0.996 F-measure:(Recall,Precision) 0.662 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.998 Model 8 Recall: 0.914 Precision: all: 0.54 allw: 0.762 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.679 F-measure:(Recall,PrecisionW) 0.831 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 9 Recall: 0.914 Precision: all: 0.538 allw: 0.724 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.678 F-measure:(Recall,PrecisionW) 0.808 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 10 Recall: 0.875 Precision: all: 0.516 allw: 0.809 <3: 0.826 <3w: 0.996 F-measure:(Recall,Precision) 0.649 F-measure:(Recall,PrecisionW) 0.841 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.998 Model 11 Recall: 0.907 Precision: all: 0.514 allw: 0.818 <3: 0.826 <3w: 0.996 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.86 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.998 Model 12 Recall: 0.896 Precision: all: 0.509 allw: 0.665 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.649 F-measure:(Recall,PrecisionW) 0.764 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 13 Recall: 0.904 Precision: all: 0.519 allw: 0.698 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.66 F-measure:(Recall,PrecisionW) 0.788 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 14 Recall: 0.911 Precision: all: 0.517 allw: 0.792 <3: 0.84 <3w: 0.996 F-measure:(Recall,Precision) 0.659 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 0.913 F-measure:(0,PrecisionIdealW) 0.998 Model 15 Recall: 0.875 Precision: all: 0.515 allw: 0.751 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.649 F-measure:(Recall,PrecisionW) 0.808 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 16 Recall: 0.907 Precision: all: 0.521 allw: 0.806 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.662 F-measure:(Recall,PrecisionW) 0.853 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 17 Recall: 0.889 Precision: all: 0.518 allw: 0.775 <3: 0.826 <3w: 0.996 F-measure:(Recall,Precision) 0.655 F-measure:(Recall,PrecisionW) 0.828 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.998 Model 18 Recall: 0.911 Precision: all: 0.512 allw: 0.811 <3: 0.826 <3w: 0.996 F-measure:(Recall,Precision) 0.655 F-measure:(Recall,PrecisionW) 0.858 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.998 Model 19 Recall: 0.871 Precision: all: 0.546 allw: 0.84 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.672 F-measure:(Recall,PrecisionW) 0.856 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 20 Recall: 0.893 Precision: all: 0.522 allw: 0.864 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.659 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 For freely-rotating-chain model: Model ave Inconsistent score: 0.636(178/280) Model ave Missing interactions: 0.348 (32/92) weighted: 0.297 (1.06e+04/3.56e+04) <3: 0.259 (7/27) <3w: 0.325 (8.37e+03/2.57e+04) Recall: 0.364 Precision: all: 0.652 allw: 0.703 F-measure:(RecallFree,PrecisionFree) 0.467 F-measure:(ReallFree,PrecisionFreeW) 0.48 # Summary for c_ali.peaks Total simulated peaks: 756 Number of peaks NOT matched in the Peak List: 56 M score = 0.074 Average shift in HX: 0.00036 Average ab-shift in HX: 0.003(Assignment used: 381) Average shift in X: -0.0052 Average ab-shift in X: 0.028(Assignment used: 313) Average shift in HX2: 0.00023 Average ab-shift in HX2: 0.0027(Assignment used: 483) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.0346(132/3810) Model 1 Inconsistent score: 0.0346(132/3810) Model 2 Inconsistent score: 0.0388(148/3810) Model 3 Inconsistent score: 0.0394(150/3810) Model 4 Inconsistent score: 0.0381(145/3810) Model 5 Inconsistent score: 0.0357(136/3810) Model 6 Inconsistent score: 0.0352(134/3810) Model 7 Inconsistent score: 0.0365(139/3810) Model 8 Inconsistent score: 0.0357(136/3810) Model 9 Inconsistent score: 0.0375(143/3810) Model 10 Inconsistent score: 0.0365(139/3810) Model 11 Inconsistent score: 0.0381(145/3810) Model 12 Inconsistent score: 0.0399(152/3810) Model 13 Inconsistent score: 0.0386(147/3810) Model 14 Inconsistent score: 0.0354(135/3810) Model 15 Inconsistent score: 0.0383(146/3810) Model 16 Inconsistent score: 0.0352(134/3810) Model 17 Inconsistent score: 0.0367(140/3810) Model 18 Inconsistent score: 0.0362(138/3810) Model 19 Inconsistent score: 0.0352(134/3810) Model 20 Inconsistent score: 0.0373(142/3810) Model ave Missing interactions: 0.436 (2.17e+03/4983) weighted: 0.122 (1.4e+06/1.15e+07) <3: 0.0389 (23/591) <3w: 0.0355 (2.1e+05/5.92e+06) Model 1 Missing interactions: 0.452 (2.4e+03/5304) weighted: 0.168 (2.38e+06/1.42e+07) <3: 0.0388 (23/593) <3w: 0.0349 (2.12e+05/6.07e+06) Model 2 Missing interactions: 0.448 (2.29e+03/5114) weighted: 0.167 (2.28e+06/1.37e+07) <3: 0.0389 (23/591) <3w: 0.0344 (2.08e+05/6.04e+06) Model 3 Missing interactions: 0.46 (2.45e+03/5333) weighted: 0.178 (2.51e+06/1.41e+07) <3: 0.0389 (23/591) <3w: 0.0347 (2.08e+05/5.99e+06) Model 4 Missing interactions: 0.443 (2.26e+03/5110) weighted: 0.181 (2.53e+06/1.4e+07) <3: 0.0387 (23/594) <3w: 0.0346 (2.1e+05/6.06e+06) Model 5 Missing interactions: 0.456 (2.4e+03/5278) weighted: 0.173 (2.49e+06/1.44e+07) <3: 0.0386 (23/596) <3w: 0.0347 (2.09e+05/6.01e+06) Model 6 Missing interactions: 0.456 (2.42e+03/5309) weighted: 0.182 (2.6e+06/1.43e+07) <3: 0.0387 (23/595) <3w: 0.0344 (2.09e+05/6.09e+06) Model 7 Missing interactions: 0.446 (2.32e+03/5202) weighted: 0.166 (2.32e+06/1.4e+07) <3: 0.0388 (23/593) <3w: 0.0345 (2.11e+05/6.1e+06) Model 8 Missing interactions: 0.458 (2.41e+03/5270) weighted: 0.163 (2.27e+06/1.39e+07) <3: 0.039 (23/590) <3w: 0.0352 (2.12e+05/6.03e+06) Model 9 Missing interactions: 0.454 (2.38e+03/5252) weighted: 0.177 (2.52e+06/1.43e+07) <3: 0.0387 (23/595) <3w: 0.0345 (2.07e+05/6.02e+06) Model 10 Missing interactions: 0.452 (2.35e+03/5198) weighted: 0.163 (2.27e+06/1.39e+07) <3: 0.0389 (23/592) <3w: 0.0355 (2.14e+05/6.04e+06) Model 11 Missing interactions: 0.45 (2.33e+03/5177) weighted: 0.184 (2.64e+06/1.44e+07) <3: 0.0389 (23/591) <3w: 0.0352 (2.13e+05/6.05e+06) Model 12 Missing interactions: 0.45 (2.31e+03/5137) weighted: 0.166 (2.25e+06/1.36e+07) <3: 0.0388 (23/593) <3w: 0.0355 (2.11e+05/5.96e+06) Model 13 Missing interactions: 0.46 (2.43e+03/5284) weighted: 0.18 (2.55e+06/1.42e+07) <3: 0.0387 (23/594) <3w: 0.0343 (2.09e+05/6.07e+06) Model 14 Missing interactions: 0.455 (2.39e+03/5261) weighted: 0.167 (2.3e+06/1.38e+07) <3: 0.0387 (23/595) <3w: 0.0343 (2.08e+05/6.07e+06) Model 15 Missing interactions: 0.447 (2.31e+03/5170) weighted: 0.157 (2.18e+06/1.39e+07) <3: 0.0386 (23/596) <3w: 0.0354 (2.14e+05/6.05e+06) Model 16 Missing interactions: 0.448 (2.35e+03/5242) weighted: 0.172 (2.46e+06/1.42e+07) <3: 0.0389 (23/592) <3w: 0.0346 (2.11e+05/6.09e+06) Model 17 Missing interactions: 0.452 (2.33e+03/5151) weighted: 0.17 (2.4e+06/1.41e+07) <3: 0.0389 (23/591) <3w: 0.0354 (2.12e+05/5.99e+06) Model 18 Missing interactions: 0.455 (2.38e+03/5232) weighted: 0.161 (2.25e+06/1.4e+07) <3: 0.0389 (23/592) <3w: 0.0342 (2.08e+05/6.09e+06) Model 19 Missing interactions: 0.451 (2.39e+03/5295) weighted: 0.171 (2.43e+06/1.42e+07) <3: 0.0389 (23/592) <3w: 0.0344 (2.11e+05/6.13e+06) Model 20 Missing interactions: 0.45 (2.33e+03/5167) weighted: 0.16 (2.23e+06/1.4e+07) <3: 0.0389 (23/592) <3w: 0.0345 (2.1e+05/6.08e+06) Model ave Recall: 0.965 Precision: all: 0.564 allw: 0.878 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.712 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 1 Recall: 0.965 Precision: all: 0.548 allw: 0.832 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.699 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 2 Recall: 0.961 Precision: all: 0.552 allw: 0.833 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.701 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 3 Recall: 0.961 Precision: all: 0.54 allw: 0.822 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.691 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 4 Recall: 0.962 Precision: all: 0.557 allw: 0.819 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.706 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 5 Recall: 0.964 Precision: all: 0.544 allw: 0.827 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.696 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 6 Recall: 0.965 Precision: all: 0.544 allw: 0.818 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.983 Model 7 Recall: 0.964 Precision: all: 0.554 allw: 0.834 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.703 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 8 Recall: 0.964 Precision: all: 0.542 allw: 0.837 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.694 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 9 Recall: 0.962 Precision: all: 0.546 allw: 0.823 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.697 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 10 Recall: 0.964 Precision: all: 0.548 allw: 0.837 <3: 0.961 <3w: 0.964 F-measure:(Recall,Precision) 0.698 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 11 Recall: 0.962 Precision: all: 0.55 allw: 0.816 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.7 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 12 Recall: 0.96 Precision: all: 0.55 allw: 0.834 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.699 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 13 Recall: 0.961 Precision: all: 0.54 allw: 0.82 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.691 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.983 Model 14 Recall: 0.965 Precision: all: 0.545 allw: 0.833 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.696 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.983 Model 15 Recall: 0.962 Precision: all: 0.553 allw: 0.843 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.702 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 16 Recall: 0.965 Precision: all: 0.552 allw: 0.828 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.702 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 17 Recall: 0.963 Precision: all: 0.548 allw: 0.83 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.698 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 18 Recall: 0.964 Precision: all: 0.545 allw: 0.839 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.697 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.983 Model 19 Recall: 0.965 Precision: all: 0.549 allw: 0.829 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.7 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 20 Recall: 0.963 Precision: all: 0.55 allw: 0.84 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.7 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 For freely-rotating-chain model: Model ave Inconsistent score: 0.341(1301/3810) Model ave Missing interactions: 0.294 (561/1909) weighted: 0.109 (1.52e+05/1.39e+06) <3: 0.0395 (23/583) <3w: 0.0385 (3.74e+04/9.7e+05) Recall: 0.659 Precision: all: 0.706 allw: 0.891 F-measure:(RecallFree,PrecisionFree) 0.681 F-measure:(ReallFree,PrecisionFreeW) 0.757 Final M-score 0.0649 60/925 Model ave Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.897 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.929 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.76 Model 1 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.906 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.657 Model 2 Final Recall-score for input query structures: 0.959 Final Precision-score for input query structures: 0.853 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.903 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.643 Model 3 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.844 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.898 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.622 Model 4 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.847 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.63 Model 5 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.848 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.902 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.639 Model 6 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.845 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.63 Model 7 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.853 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.648 Model 8 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.859 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.908 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.668 Model 9 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.848 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.635 Model 10 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.859 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.906 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.659 Model 11 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.845 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.629 Model 12 Final Recall-score for input query structures: 0.958 Final Precision-score for input query structures: 0.849 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.633 Model 13 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.842 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.897 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.617 Model 14 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.855 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.906 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.657 Model 15 Final Recall-score for input query structures: 0.958 Final Precision-score for input query structures: 0.864 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.909 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.672 Model 16 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.85 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.903 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.643 Model 17 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.854 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.651 Model 18 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.861 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.909 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.67 Model 19 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.854 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.648 Model 20 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.864 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 Final Recall-score for freely-rotating-chain model: 0.649 Final Precision-score for freely-rotating-chain model: 0.903 Summary: F-score of input query structures: 0.909 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.67 Statistics: =========== NOESY_Assign: User CPU Time: 79.5 sec. Syst CPU Time: 1.41 sec. Other Processes: User CPU Time: 1.06 sec. Syst CPU Time: 0.07 sec. Total Elapsed Time: 82 sec.