# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 17:11:37 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SR213_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SR213_R3Cons_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: 0.0308(49/1593) Model 1 Inconsistent score: 0.0289(46/1593) Model 2 Inconsistent score: 0.0295(47/1593) Model 3 Inconsistent score: 0.0276(44/1593) Model 4 Inconsistent score: 0.0295(47/1593) Model 5 Inconsistent score: 0.0289(46/1593) Model 6 Inconsistent score: 0.0314(50/1593) Model 7 Inconsistent score: 0.0282(45/1593) Model 8 Inconsistent score: 0.0333(53/1593) Model 9 Inconsistent score: 0.0345(55/1593) Model 10 Inconsistent score: 0.0245(39/1593) Model 11 Inconsistent score: 0.0339(54/1593) Model 12 Inconsistent score: 0.0282(45/1593) Model 13 Inconsistent score: 0.0257(41/1593) Model 14 Inconsistent score: 0.0295(47/1593) Model 15 Inconsistent score: 0.0314(50/1593) Model 16 Inconsistent score: 0.0352(56/1593) Model 17 Inconsistent score: 0.0282(45/1593) Model 18 Inconsistent score: 0.027(43/1593) Model 19 Inconsistent score: 0.0339(54/1593) Model 20 Inconsistent score: 0.0289(46/1593) Model ave Missing interactions: 0.24 (408/1697) weighted: 0.04 (1.44e+05/3.61e+06) <3: 0.00662 (1/151) <3w: 0.00456 (3.69e+03/8.1e+05) Model 1 Missing interactions: 0.261 (468/1795) weighted: 0.0468 (1.88e+05/4.02e+06) <3: 0.00617 (1/162) <3w: 0.00445 (3.73e+03/8.39e+05) Model 2 Missing interactions: 0.257 (455/1773) weighted: 0.0471 (1.84e+05/3.91e+06) <3: 0.00633 (1/158) <3w: 0.00443 (3.58e+03/8.08e+05) Model 3 Missing interactions: 0.25 (445/1782) weighted: 0.0513 (2.02e+05/3.94e+06) <3: 0.00633 (1/158) <3w: 0.00504 (4.06e+03/8.06e+05) Model 4 Missing interactions: 0.256 (458/1787) weighted: 0.0565 (2.27e+05/4.02e+06) <3: 0.00637 (1/157) <3w: 0.00416 (3.36e+03/8.08e+05) Model 5 Missing interactions: 0.264 (477/1805) weighted: 0.0495 (1.97e+05/3.98e+06) <3: 0.00637 (1/157) <3w: 0.0044 (3.58e+03/8.13e+05) Model 6 Missing interactions: 0.265 (476/1793) weighted: 0.0502 (2e+05/3.99e+06) <3: 0.00641 (1/156) <3w: 0.00436 (3.58e+03/8.2e+05) Model 7 Missing interactions: 0.26 (465/1791) weighted: 0.0532 (2.08e+05/3.9e+06) <3: 0.00637 (1/157) <3w: 0.00452 (3.65e+03/8.08e+05) Model 8 Missing interactions: 0.249 (436/1750) weighted: 0.0455 (1.79e+05/3.94e+06) <3: 0.00641 (1/156) <3w: 0.00438 (3.65e+03/8.35e+05) Model 9 Missing interactions: 0.256 (454/1770) weighted: 0.0482 (1.91e+05/3.95e+06) <3: 0.00637 (1/157) <3w: 0.00407 (3.43e+03/8.44e+05) Model 10 Missing interactions: 0.266 (482/1810) weighted: 0.0533 (2.14e+05/4.01e+06) <3: 0.00633 (1/158) <3w: 0.00433 (3.58e+03/8.26e+05) Model 11 Missing interactions: 0.261 (462/1770) weighted: 0.0454 (1.82e+05/4e+06) <3: 0.00645 (1/155) <3w: 0.00454 (3.73e+03/8.23e+05) Model 12 Missing interactions: 0.257 (453/1763) weighted: 0.0466 (1.83e+05/3.93e+06) <3: 0.00637 (1/157) <3w: 0.00443 (3.65e+03/8.24e+05) Model 13 Missing interactions: 0.257 (462/1799) weighted: 0.0503 (1.97e+05/3.93e+06) <3: 0.00641 (1/156) <3w: 0.00438 (3.5e+03/7.99e+05) Model 14 Missing interactions: 0.256 (451/1765) weighted: 0.0601 (2.4e+05/3.99e+06) <3: 0.00645 (1/155) <3w: 0.00405 (3.36e+03/8.3e+05) Model 15 Missing interactions: 0.253 (444/1757) weighted: 0.0553 (2.16e+05/3.91e+06) <3: 0.00629 (1/159) <3w: 0.00442 (3.65e+03/8.26e+05) Model 16 Missing interactions: 0.244 (416/1708) weighted: 0.0503 (1.94e+05/3.85e+06) <3: 0.00629 (1/159) <3w: 0.00432 (3.58e+03/8.28e+05) Model 17 Missing interactions: 0.254 (453/1784) weighted: 0.0465 (1.78e+05/3.83e+06) <3: 0.00633 (1/158) <3w: 0.00432 (3.5e+03/8.11e+05) Model 18 Missing interactions: 0.257 (462/1795) weighted: 0.0502 (1.94e+05/3.87e+06) <3: 0.00641 (1/156) <3w: 0.00432 (3.5e+03/8.11e+05) Model 19 Missing interactions: 0.258 (454/1762) weighted: 0.0463 (1.8e+05/3.89e+06) <3: 0.00629 (1/159) <3w: 0.00425 (3.5e+03/8.25e+05) Model 20 Missing interactions: 0.261 (467/1789) weighted: 0.0553 (2.19e+05/3.97e+06) <3: 0.00633 (1/158) <3w: 0.00433 (3.58e+03/8.26e+05) Model ave Recall: 0.969 Precision: all: 0.76 allw: 0.96 <3: 0.993 <3w: 0.995 F-measure:(Recall,Precision) 0.852 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.971 Precision: all: 0.739 allw: 0.953 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.839 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 2 Recall: 0.97 Precision: all: 0.743 allw: 0.953 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.842 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 3 Recall: 0.972 Precision: all: 0.75 allw: 0.949 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.847 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.997 Model 4 Recall: 0.97 Precision: all: 0.744 allw: 0.944 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.842 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 5 Recall: 0.971 Precision: all: 0.736 allw: 0.95 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 6 Recall: 0.969 Precision: all: 0.735 allw: 0.95 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.835 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 7 Recall: 0.972 Precision: all: 0.74 allw: 0.947 <3: 0.994 <3w: 0.995 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 8 Recall: 0.967 Precision: all: 0.751 allw: 0.955 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.845 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 9 Recall: 0.965 Precision: all: 0.744 allw: 0.952 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 10 Recall: 0.976 Precision: all: 0.734 allw: 0.947 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.838 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 11 Recall: 0.966 Precision: all: 0.739 allw: 0.955 <3: 0.994 <3w: 0.995 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 12 Recall: 0.972 Precision: all: 0.743 allw: 0.953 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.842 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 13 Recall: 0.974 Precision: all: 0.743 allw: 0.95 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.843 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 14 Recall: 0.97 Precision: all: 0.744 allw: 0.94 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.843 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 15 Recall: 0.969 Precision: all: 0.747 allw: 0.945 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.844 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 16 Recall: 0.965 Precision: all: 0.756 allw: 0.95 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.848 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 17 Recall: 0.972 Precision: all: 0.746 allw: 0.953 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.844 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 18 Recall: 0.973 Precision: all: 0.743 allw: 0.95 <3: 0.994 <3w: 0.996 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 19 Recall: 0.966 Precision: all: 0.742 allw: 0.954 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.997 F-measure:(0,PrecisionIdealW) 0.998 Model 20 Recall: 0.971 Precision: all: 0.739 allw: 0.945 <3: 0.994 <3w: 0.996 F-measure:(Recall,Precision) 0.839 F-measure:(Recall,PrecisionW) 0.958 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: 0.0786(22/280) Model 1 Inconsistent score: 0.0964(27/280) Model 2 Inconsistent score: 0.0786(22/280) Model 3 Inconsistent score: 0.1(28/280) Model 4 Inconsistent score: 0.111(31/280) Model 5 Inconsistent score: 0.0821(23/280) Model 6 Inconsistent score: 0.0643(18/280) Model 7 Inconsistent score: 0.0714(20/280) Model 8 Inconsistent score: 0.0929(26/280) Model 9 Inconsistent score: 0.107(30/280) Model 10 Inconsistent score: 0.0893(25/280) Model 11 Inconsistent score: 0.0964(27/280) Model 12 Inconsistent score: 0.0786(22/280) Model 13 Inconsistent score: 0.104(29/280) Model 14 Inconsistent score: 0.104(29/280) Model 15 Inconsistent score: 0.0964(27/280) Model 16 Inconsistent score: 0.0964(27/280) Model 17 Inconsistent score: 0.104(29/280) Model 18 Inconsistent score: 0.0929(26/280) Model 19 Inconsistent score: 0.107(30/280) Model 20 Inconsistent score: 0.075(21/280) Model ave Missing interactions: 0.456 (194/425) weighted: 0.133 (6.01e+04/4.53e+05) <3: 0.174 (4/23) <3w: 0.00395 (465/1.18e+05) Model 1 Missing interactions: 0.499 (240/481) weighted: 0.188 (1.35e+05/7.15e+05) <3: 0.1 (2/20) <3w: 0.00289 (339/1.17e+05) Model 2 Missing interactions: 0.494 (230/466) weighted: 0.21 (1.27e+05/6.06e+05) <3: 0.167 (4/24) <3w: 0.00402 (462/1.15e+05) Model 3 Missing interactions: 0.476 (214/450) weighted: 0.216 (1.35e+05/6.28e+05) <3: 0.0952 (2/21) <3w: 0.00291 (339/1.16e+05) Model 4 Missing interactions: 0.523 (247/472) weighted: 0.227 (1.59e+05/7.02e+05) <3: 0.0952 (2/21) <3w: 0.0029 (339/1.17e+05) Model 5 Missing interactions: 0.515 (265/515) weighted: 0.235 (1.74e+05/7.42e+05) <3: 0.1 (2/20) <3w: 0.00289 (339/1.17e+05) Model 6 Missing interactions: 0.482 (224/465) weighted: 0.178 (1.18e+05/6.63e+05) <3: 0.0952 (2/21) <3w: 0.0029 (339/1.17e+05) Model 7 Missing interactions: 0.488 (236/484) weighted: 0.162 (1.09e+05/6.75e+05) <3: 0.0952 (2/21) <3w: 0.00286 (339/1.19e+05) Model 8 Missing interactions: 0.487 (222/456) weighted: 0.214 (1.46e+05/6.8e+05) <3: 0.143 (3/21) <3w: 0.00347 (404/1.16e+05) Model 9 Missing interactions: 0.496 (226/456) weighted: 0.203 (1.41e+05/6.95e+05) <3: 0.0952 (2/21) <3w: 0.00291 (339/1.17e+05) Model 10 Missing interactions: 0.52 (258/496) weighted: 0.182 (1.33e+05/7.29e+05) <3: 0.167 (4/24) <3w: 0.00401 (467/1.16e+05) Model 11 Missing interactions: 0.476 (212/445) weighted: 0.197 (1.34e+05/6.77e+05) <3: 0.0952 (2/21) <3w: 0.00288 (339/1.18e+05) Model 12 Missing interactions: 0.476 (225/473) weighted: 0.148 (9.25e+04/6.26e+05) <3: 0.0952 (2/21) <3w: 0.0029 (339/1.17e+05) Model 13 Missing interactions: 0.507 (244/481) weighted: 0.176 (1.24e+05/7.05e+05) <3: 0.0952 (2/21) <3w: 0.00291 (339/1.16e+05) Model 14 Missing interactions: 0.499 (222/445) weighted: 0.195 (1.17e+05/6.02e+05) <3: 0.0952 (2/21) <3w: 0.00289 (339/1.17e+05) Model 15 Missing interactions: 0.482 (216/448) weighted: 0.147 (8.92e+04/6.05e+05) <3: 0.167 (4/24) <3w: 0.00398 (462/1.16e+05) Model 16 Missing interactions: 0.483 (216/447) weighted: 0.217 (1.45e+05/6.71e+05) <3: 0.0952 (2/21) <3w: 0.00286 (339/1.19e+05) Model 17 Missing interactions: 0.488 (225/461) weighted: 0.205 (1.52e+05/7.4e+05) <3: 0.167 (4/24) <3w: 0.00405 (467/1.15e+05) Model 18 Missing interactions: 0.525 (273/520) weighted: 0.204 (1.55e+05/7.59e+05) <3: 0.0952 (2/21) <3w: 0.0029 (339/1.17e+05) Model 19 Missing interactions: 0.487 (218/448) weighted: 0.22 (1.49e+05/6.8e+05) <3: 0.0952 (2/21) <3w: 0.0029 (339/1.17e+05) Model 20 Missing interactions: 0.488 (233/477) weighted: 0.163 (1.16e+05/7.13e+05) <3: 0.0952 (2/21) <3w: 0.00289 (339/1.18e+05) Model ave Recall: 0.921 Precision: all: 0.544 allw: 0.867 <3: 0.826 <3w: 0.996 F-measure:(Recall,Precision) 0.684 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.998 Model 1 Recall: 0.904 Precision: all: 0.501 allw: 0.812 <3: 0.9 <3w: 0.997 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.855 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.999 Model 2 Recall: 0.921 Precision: all: 0.506 allw: 0.79 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.654 F-measure:(Recall,PrecisionW) 0.85 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 3 Recall: 0.9 Precision: all: 0.524 allw: 0.784 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.663 F-measure:(Recall,PrecisionW) 0.838 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 4 Recall: 0.889 Precision: all: 0.477 allw: 0.773 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.621 F-measure:(Recall,PrecisionW) 0.827 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 5 Recall: 0.918 Precision: all: 0.485 allw: 0.765 <3: 0.9 <3w: 0.997 F-measure:(Recall,Precision) 0.635 F-measure:(Recall,PrecisionW) 0.835 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.999 Model 6 Recall: 0.936 Precision: all: 0.518 allw: 0.822 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.667 F-measure:(Recall,PrecisionW) 0.875 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 7 Recall: 0.929 Precision: all: 0.512 allw: 0.838 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.66 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 8 Recall: 0.907 Precision: all: 0.513 allw: 0.786 <3: 0.857 <3w: 0.997 F-measure:(Recall,Precision) 0.656 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.923 F-measure:(0,PrecisionIdealW) 0.998 Model 9 Recall: 0.893 Precision: all: 0.504 allw: 0.797 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 10 Recall: 0.911 Precision: all: 0.48 allw: 0.818 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.862 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 11 Recall: 0.904 Precision: all: 0.524 allw: 0.803 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.663 F-measure:(Recall,PrecisionW) 0.85 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 12 Recall: 0.921 Precision: all: 0.524 allw: 0.852 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.668 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 13 Recall: 0.896 Precision: all: 0.493 allw: 0.824 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 14 Recall: 0.896 Precision: all: 0.501 allw: 0.805 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 15 Recall: 0.904 Precision: all: 0.518 allw: 0.853 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.658 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 16 Recall: 0.904 Precision: all: 0.517 allw: 0.783 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.658 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 17 Recall: 0.896 Precision: all: 0.512 allw: 0.795 <3: 0.833 <3w: 0.996 F-measure:(Recall,Precision) 0.652 F-measure:(Recall,PrecisionW) 0.843 F-measure:(0,PrecisionIdeal) 0.909 F-measure:(0,PrecisionIdealW) 0.998 Model 18 Recall: 0.907 Precision: all: 0.475 allw: 0.796 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.624 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 19 Recall: 0.893 Precision: all: 0.513 allw: 0.78 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.652 F-measure:(Recall,PrecisionW) 0.833 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 Model 20 Recall: 0.925 Precision: all: 0.512 allw: 0.837 <3: 0.905 <3w: 0.997 F-measure:(Recall,Precision) 0.659 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.999 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: 0.0357(136/3810) Model 1 Inconsistent score: 0.0341(130/3810) Model 2 Inconsistent score: 0.0341(130/3810) Model 3 Inconsistent score: 0.0375(143/3810) Model 4 Inconsistent score: 0.0373(142/3810) Model 5 Inconsistent score: 0.0333(127/3810) Model 6 Inconsistent score: 0.0367(140/3810) Model 7 Inconsistent score: 0.0367(140/3810) Model 8 Inconsistent score: 0.0381(145/3810) Model 9 Inconsistent score: 0.0373(142/3810) Model 10 Inconsistent score: 0.0354(135/3810) Model 11 Inconsistent score: 0.0386(147/3810) Model 12 Inconsistent score: 0.037(141/3810) Model 13 Inconsistent score: 0.0344(131/3810) Model 14 Inconsistent score: 0.0365(139/3810) Model 15 Inconsistent score: 0.0362(138/3810) Model 16 Inconsistent score: 0.0402(153/3810) Model 17 Inconsistent score: 0.0388(148/3810) Model 18 Inconsistent score: 0.0362(138/3810) Model 19 Inconsistent score: 0.0367(140/3810) Model 20 Inconsistent score: 0.0344(131/3810) Model ave Missing interactions: 0.441 (2.26e+03/5130) weighted: 0.128 (1.52e+06/1.19e+07) <3: 0.0392 (23/587) <3w: 0.0356 (2.09e+05/5.86e+06) Model 1 Missing interactions: 0.459 (2.5e+03/5441) weighted: 0.168 (2.41e+06/1.43e+07) <3: 0.0384 (23/599) <3w: 0.0348 (2.09e+05/6e+06) Model 2 Missing interactions: 0.456 (2.47e+03/5415) weighted: 0.161 (2.28e+06/1.41e+07) <3: 0.0388 (23/593) <3w: 0.0349 (2.09e+05/6e+06) Model 3 Missing interactions: 0.457 (2.46e+03/5372) weighted: 0.162 (2.31e+06/1.43e+07) <3: 0.0387 (23/594) <3w: 0.0349 (2.06e+05/5.9e+06) Model 4 Missing interactions: 0.464 (2.52e+03/5432) weighted: 0.173 (2.44e+06/1.41e+07) <3: 0.0388 (23/593) <3w: 0.035 (2.08e+05/5.96e+06) Model 5 Missing interactions: 0.462 (2.53e+03/5472) weighted: 0.162 (2.3e+06/1.42e+07) <3: 0.0387 (23/594) <3w: 0.0342 (2.05e+05/6e+06) Model 6 Missing interactions: 0.462 (2.51e+03/5441) weighted: 0.165 (2.36e+06/1.44e+07) <3: 0.0389 (23/592) <3w: 0.0349 (2.1e+05/6.02e+06) Model 7 Missing interactions: 0.455 (2.45e+03/5387) weighted: 0.164 (2.32e+06/1.41e+07) <3: 0.0388 (23/593) <3w: 0.0346 (2.08e+05/6e+06) Model 8 Missing interactions: 0.451 (2.39e+03/5303) weighted: 0.171 (2.4e+06/1.4e+07) <3: 0.0389 (23/592) <3w: 0.0348 (2.1e+05/6.04e+06) Model 9 Missing interactions: 0.457 (2.45e+03/5356) weighted: 0.166 (2.36e+06/1.42e+07) <3: 0.0388 (23/593) <3w: 0.0342 (2.08e+05/6.07e+06) Model 10 Missing interactions: 0.464 (2.54e+03/5468) weighted: 0.176 (2.53e+06/1.44e+07) <3: 0.0388 (23/593) <3w: 0.0341 (2.05e+05/6.01e+06) Model 11 Missing interactions: 0.458 (2.45e+03/5344) weighted: 0.177 (2.49e+06/1.41e+07) <3: 0.0389 (23/591) <3w: 0.0344 (2.05e+05/5.97e+06) Model 12 Missing interactions: 0.462 (2.51e+03/5428) weighted: 0.17 (2.42e+06/1.42e+07) <3: 0.0388 (23/593) <3w: 0.0347 (2.08e+05/6e+06) Model 13 Missing interactions: 0.462 (2.52e+03/5449) weighted: 0.175 (2.52e+06/1.44e+07) <3: 0.0389 (23/592) <3w: 0.0346 (2.06e+05/5.95e+06) Model 14 Missing interactions: 0.459 (2.49e+03/5438) weighted: 0.169 (2.42e+06/1.43e+07) <3: 0.0389 (23/591) <3w: 0.0344 (2.08e+05/6.04e+06) Model 15 Missing interactions: 0.457 (2.44e+03/5346) weighted: 0.159 (2.22e+06/1.39e+07) <3: 0.0387 (23/594) <3w: 0.0346 (2.08e+05/6.01e+06) Model 16 Missing interactions: 0.446 (2.32e+03/5186) weighted: 0.161 (2.21e+06/1.37e+07) <3: 0.0387 (23/595) <3w: 0.034 (2.06e+05/6.05e+06) Model 17 Missing interactions: 0.453 (2.43e+03/5351) weighted: 0.179 (2.58e+06/1.44e+07) <3: 0.0388 (23/593) <3w: 0.0354 (2.11e+05/5.96e+06) Model 18 Missing interactions: 0.457 (2.46e+03/5396) weighted: 0.169 (2.41e+06/1.43e+07) <3: 0.0389 (23/592) <3w: 0.0346 (2.06e+05/5.97e+06) Model 19 Missing interactions: 0.458 (2.45e+03/5351) weighted: 0.162 (2.27e+06/1.4e+07) <3: 0.0387 (23/595) <3w: 0.0343 (2.08e+05/6.06e+06) Model 20 Missing interactions: 0.458 (2.49e+03/5445) weighted: 0.17 (2.43e+06/1.44e+07) <3: 0.0387 (23/594) <3w: 0.0345 (2.07e+05/6.01e+06) Model ave Recall: 0.964 Precision: all: 0.559 allw: 0.872 <3: 0.961 <3w: 0.964 F-measure:(Recall,Precision) 0.708 F-measure:(Recall,PrecisionW) 0.916 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 1 Recall: 0.966 Precision: all: 0.541 allw: 0.832 <3: 0.962 <3w: 0.965 F-measure:(Recall,Precision) 0.693 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 2 Recall: 0.966 Precision: all: 0.544 allw: 0.839 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.696 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 3 Recall: 0.962 Precision: all: 0.543 allw: 0.838 <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 4 Recall: 0.963 Precision: all: 0.536 allw: 0.827 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.689 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 5 Recall: 0.967 Precision: all: 0.538 allw: 0.838 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.691 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.983 Model 6 Recall: 0.963 Precision: all: 0.538 allw: 0.835 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.691 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 7 Recall: 0.963 Precision: all: 0.545 allw: 0.836 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.696 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 8 Recall: 0.962 Precision: all: 0.549 allw: 0.829 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.699 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 9 Recall: 0.963 Precision: all: 0.543 allw: 0.834 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.694 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.983 Model 10 Recall: 0.965 Precision: all: 0.536 allw: 0.824 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.689 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.983 Model 11 Recall: 0.961 Precision: all: 0.542 allw: 0.823 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.693 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 12 Recall: 0.963 Precision: all: 0.538 allw: 0.83 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.69 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 13 Recall: 0.966 Precision: all: 0.538 allw: 0.825 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.691 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 14 Recall: 0.964 Precision: all: 0.541 allw: 0.831 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.693 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.983 Model 15 Recall: 0.964 Precision: all: 0.543 allw: 0.841 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 16 Recall: 0.96 Precision: all: 0.554 allw: 0.839 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.702 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.983 Model 17 Recall: 0.961 Precision: all: 0.547 allw: 0.821 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.697 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 18 Recall: 0.964 Precision: all: 0.543 allw: 0.831 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.982 Model 19 Recall: 0.963 Precision: all: 0.542 allw: 0.838 <3: 0.961 <3w: 0.966 F-measure:(Recall,Precision) 0.694 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.983 Model 20 Recall: 0.966 Precision: all: 0.542 allw: 0.83 <3: 0.961 <3w: 0.965 F-measure:(Recall,Precision) 0.694 F-measure:(Recall,PrecisionW) 0.893 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: 0.964 Final Precision-score for input query structures: 0.892 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: 0.926 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.747 Model 1 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.857 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: 0.907 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.664 Model 2 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.861 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 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: 0.91 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.677 Model 3 Final Recall-score for input query structures: 0.962 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 4 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.85 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 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: 0.902 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.642 Model 5 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.859 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 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 6 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 7 Final Recall-score for input query structures: 0.964 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 8 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 9 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.857 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 10 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.849 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.97 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 11 Final Recall-score for input query structures: 0.96 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: 0.902 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.639 Model 12 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: 0.907 F-score of ideal true structures: 0.984 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.664 Model 13 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.85 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 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 14 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 15 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.863 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: 0.91 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.674 Model 16 Final Recall-score for input query structures: 0.958 Final Precision-score for input query structures: 0.86 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: 0.907 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.661 Model 17 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.847 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.969 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 18 Final Recall-score for input query structures: 0.964 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: 0.906 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.657 Model 19 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.86 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: 0.908 F-score of ideal true structures: 0.985 F-score of freely-rotating-chain model: 0.755 DP-Score: 0.665 Model 20 Final Recall-score for input query structures: 0.965 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 Statistics: =========== NOESY_Assign: User CPU Time: 80.5 sec. Syst CPU Time: 1.52 sec. Other Processes: User CPU Time: 1.06 sec. Syst CPU Time: 0.07 sec. Total Elapsed Time: 83.2 sec.