# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 08:46:34 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR4527E_R3_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR4527E_R3_em_bcr3.pdb.iupac # Summary for cnoeabs.peaks Total simulated peaks: 648 Number of peaks NOT matched in the Peak List: 1 M score = 0.0015 Average shift in HX: -3e-06 Average ab-shift in HX: 9.8e-05(Assignment used: 336) Average shift in X: -0.00012 Average ab-shift in X: 0.0002(Assignment used: 255) Average shift in HX2: 3.7e-05 Average ab-shift in HX2: 0.00011(Assignment used: 401) #For peaklist cnoeabs.peaks: Rmax: 5 Model ave Inconsistent score: 0.0329(153/4644) Model 1 Inconsistent score: 0.0327(152/4644) Model 2 Inconsistent score: 0.0295(137/4644) Model 3 Inconsistent score: 0.0321(149/4644) Model 4 Inconsistent score: 0.0342(159/4644) Model 5 Inconsistent score: 0.0349(162/4644) Model 6 Inconsistent score: 0.0375(174/4644) Model 7 Inconsistent score: 0.0336(156/4644) Model 8 Inconsistent score: 0.0317(147/4644) Model 9 Inconsistent score: 0.0329(153/4644) Model 10 Inconsistent score: 0.0334(155/4644) Model 11 Inconsistent score: 0.0295(137/4644) Model 12 Inconsistent score: 0.0349(162/4644) Model 13 Inconsistent score: 0.0336(156/4644) Model 14 Inconsistent score: 0.0351(163/4644) Model 15 Inconsistent score: 0.0299(139/4644) Model 16 Inconsistent score: 0.0321(149/4644) Model 17 Inconsistent score: 0.0336(156/4644) Model 18 Inconsistent score: 0.0304(141/4644) Model 19 Inconsistent score: 0.0325(151/4644) Model 20 Inconsistent score: 0.0366(170/4644) Model ave Missing interactions: 0.254 (904/3566) weighted: 0.0281 (2.47e+05/8.82e+06) <3: 0.00219 (1/457) <3w: 0.000738 (3.43e+03/4.65e+06) Model 1 Missing interactions: 0.287 (1.13e+03/3929) weighted: 0.0557 (6.01e+05/1.08e+07) <3: 0.00218 (1/459) <3w: 0.000686 (3.23e+03/4.71e+06) Model 2 Missing interactions: 0.288 (1.14e+03/3960) weighted: 0.067 (7.47e+05/1.11e+07) <3: 0.00218 (1/458) <3w: 0.000657 (3.1e+03/4.71e+06) Model 3 Missing interactions: 0.293 (1.16e+03/3958) weighted: 0.0488 (5.28e+05/1.08e+07) <3: 0.00218 (1/458) <3w: 0.000652 (3.1e+03/4.75e+06) Model 4 Missing interactions: 0.277 (1.06e+03/3828) weighted: 0.0434 (4.61e+05/1.06e+07) <3: 0.0022 (1/455) <3w: 0.000646 (3.03e+03/4.7e+06) Model 5 Missing interactions: 0.294 (1.18e+03/4025) weighted: 0.0698 (7.87e+05/1.13e+07) <3: 0.00218 (1/458) <3w: 0.000672 (3.16e+03/4.71e+06) Model 6 Missing interactions: 0.293 (1.15e+03/3933) weighted: 0.0711 (7.79e+05/1.1e+07) <3: 0.00218 (1/458) <3w: 0.000693 (3.23e+03/4.66e+06) Model 7 Missing interactions: 0.274 (1.05e+03/3824) weighted: 0.0455 (4.86e+05/1.07e+07) <3: 0.00219 (1/457) <3w: 0.00067 (3.16e+03/4.72e+06) Model 8 Missing interactions: 0.28 (1.07e+03/3824) weighted: 0.0474 (5.09e+05/1.07e+07) <3: 0.0022 (1/455) <3w: 0.000636 (3.03e+03/4.77e+06) Model 9 Missing interactions: 0.293 (1.16e+03/3959) weighted: 0.0646 (7.25e+05/1.12e+07) <3: 0.00219 (1/457) <3w: 0.000646 (3.03e+03/4.7e+06) Model 10 Missing interactions: 0.288 (1.14e+03/3970) weighted: 0.066 (7.34e+05/1.11e+07) <3: 0.00217 (1/460) <3w: 0.000707 (3.36e+03/4.76e+06) Model 11 Missing interactions: 0.291 (1.15e+03/3933) weighted: 0.0639 (7.16e+05/1.12e+07) <3: 0.00217 (1/460) <3w: 0.000644 (3.03e+03/4.71e+06) Model 12 Missing interactions: 0.283 (1.1e+03/3887) weighted: 0.0628 (6.68e+05/1.06e+07) <3: 0.0022 (1/455) <3w: 0.000841 (3.89e+03/4.63e+06) Model 13 Missing interactions: 0.276 (1.07e+03/3861) weighted: 0.0529 (5.78e+05/1.09e+07) <3: 0.00217 (1/461) <3w: 0.000666 (3.1e+03/4.65e+06) Model 14 Missing interactions: 0.283 (1.1e+03/3888) weighted: 0.0558 (6.17e+05/1.1e+07) <3: 0.00218 (1/458) <3w: 0.000643 (3.03e+03/4.72e+06) Model 15 Missing interactions: 0.28 (1.08e+03/3868) weighted: 0.0566 (6.17e+05/1.09e+07) <3: 0.00218 (1/458) <3w: 0.000641 (3.03e+03/4.74e+06) Model 16 Missing interactions: 0.283 (1.1e+03/3878) weighted: 0.0503 (5.47e+05/1.09e+07) <3: 0.00217 (1/461) <3w: 0.000682 (3.23e+03/4.73e+06) Model 17 Missing interactions: 0.283 (1.1e+03/3865) weighted: 0.0654 (7.2e+05/1.1e+07) <3: 0.00219 (1/456) <3w: 0.00065 (3.1e+03/4.76e+06) Model 18 Missing interactions: 0.299 (1.21e+03/4034) weighted: 0.0666 (7.46e+05/1.12e+07) <3: 0.00218 (1/458) <3w: 0.000671 (3.16e+03/4.71e+06) Model 19 Missing interactions: 0.281 (1.09e+03/3871) weighted: 0.0543 (5.9e+05/1.09e+07) <3: 0.00218 (1/458) <3w: 0.000718 (3.36e+03/4.68e+06) Model 20 Missing interactions: 0.286 (1.12e+03/3894) weighted: 0.0596 (6.57e+05/1.1e+07) <3: 0.00217 (1/461) <3w: 0.000794 (3.73e+03/4.7e+06) Model ave Recall: 0.967 Precision: all: 0.746 allw: 0.972 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.843 F-measure:(Recall,PrecisionW) 0.969 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.967 Precision: all: 0.713 allw: 0.944 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.97 Precision: all: 0.712 allw: 0.933 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.968 Precision: all: 0.707 allw: 0.951 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.966 Precision: all: 0.723 allw: 0.957 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.965 Precision: all: 0.706 allw: 0.93 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.963 Precision: all: 0.707 allw: 0.929 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.966 Precision: all: 0.726 allw: 0.955 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.968 Precision: all: 0.72 allw: 0.953 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.967 Precision: all: 0.707 allw: 0.935 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.967 Precision: all: 0.712 allw: 0.934 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.97 Precision: all: 0.709 allw: 0.936 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.819 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.965 Precision: all: 0.717 allw: 0.937 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.966 Precision: all: 0.724 allw: 0.947 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.965 Precision: all: 0.717 allw: 0.944 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.97 Precision: all: 0.72 allw: 0.943 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.968 Precision: all: 0.717 allw: 0.95 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.966 Precision: all: 0.717 allw: 0.935 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.97 Precision: all: 0.701 allw: 0.933 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.814 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.967 Precision: all: 0.719 allw: 0.946 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.825 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.963 Precision: all: 0.714 allw: 0.94 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.952 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.396(1841/4644) Model ave Missing interactions: 0.185 (271/1467) weighted: 0.0461 (4.77e+04/1.03e+06) <3: 0.00224 (1/446) <3w: 0.00243 (1.86e+03/7.66e+05) Recall: 0.604 Precision: all: 0.815 allw: 0.954 F-measure:(RecallFree,PrecisionFree) 0.694 F-measure:(ReallFree,PrecisionFreeW) 0.739 # Summary for nnoeabs.peaks Total simulated peaks: 124 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: 0 Average ab-shift in HX: 0(Assignment used: 88) Average shift in X: 0 Average ab-shift in X: 0(Assignment used: 82) Average shift in HX2: 0.00015 Average ab-shift in HX2: 0.00023(Assignment used: 122) #For peaklist nnoeabs.peaks: Rmax: 5 Model ave Inconsistent score: 0.0505(69/1366) Model 1 Inconsistent score: 0.0469(64/1366) Model 2 Inconsistent score: 0.0403(55/1366) Model 3 Inconsistent score: 0.0505(69/1366) Model 4 Inconsistent score: 0.0439(60/1366) Model 5 Inconsistent score: 0.049(67/1366) Model 6 Inconsistent score: 0.0461(63/1366) Model 7 Inconsistent score: 0.0447(61/1366) Model 8 Inconsistent score: 0.0476(65/1366) Model 9 Inconsistent score: 0.049(67/1366) Model 10 Inconsistent score: 0.0425(58/1366) Model 11 Inconsistent score: 0.0395(54/1366) Model 12 Inconsistent score: 0.0542(74/1366) Model 13 Inconsistent score: 0.0439(60/1366) Model 14 Inconsistent score: 0.0483(66/1366) Model 15 Inconsistent score: 0.0454(62/1366) Model 16 Inconsistent score: 0.0403(55/1366) Model 17 Inconsistent score: 0.0483(66/1366) Model 18 Inconsistent score: 0.052(71/1366) Model 19 Inconsistent score: 0.0498(68/1366) Model 20 Inconsistent score: 0.049(67/1366) Model ave Missing interactions: 0.141 (161/1141) weighted: 0.0159 (4.26e+04/2.69e+06) <3: 0 (0/126) <3w: 0 (0/7.59e+05) Model 1 Missing interactions: 0.185 (229/1235) weighted: 0.0365 (1.2e+05/3.28e+06) <3: 0 (0/128) <3w: 0 (0/7.75e+05) Model 2 Missing interactions: 0.182 (223/1227) weighted: 0.0374 (1.2e+05/3.2e+06) <3: 0 (0/127) <3w: 0 (0/7.53e+05) Model 3 Missing interactions: 0.186 (230/1237) weighted: 0.0293 (9.54e+04/3.25e+06) <3: 0 (0/127) <3w: 0 (0/8.02e+05) Model 4 Missing interactions: 0.162 (193/1191) weighted: 0.0206 (6.57e+04/3.19e+06) <3: 0 (0/124) <3w: 0 (0/7.66e+05) Model 5 Missing interactions: 0.171 (208/1218) weighted: 0.05 (1.67e+05/3.34e+06) <3: 0 (0/127) <3w: 0 (0/7.51e+05) Model 6 Missing interactions: 0.177 (217/1229) weighted: 0.065 (2.14e+05/3.29e+06) <3: 0 (0/127) <3w: 0 (0/7.48e+05) Model 7 Missing interactions: 0.161 (194/1202) weighted: 0.0599 (1.95e+05/3.25e+06) <3: 0 (0/126) <3w: 0 (0/7.53e+05) Model 8 Missing interactions: 0.154 (181/1174) weighted: 0.0238 (7.58e+04/3.19e+06) <3: 0 (0/124) <3w: 0 (0/7.65e+05) Model 9 Missing interactions: 0.17 (204/1201) weighted: 0.036 (1.19e+05/3.3e+06) <3: 0 (0/126) <3w: 0 (0/7.82e+05) Model 10 Missing interactions: 0.172 (212/1232) weighted: 0.0515 (1.7e+05/3.31e+06) <3: 0 (0/129) <3w: 0 (0/7.85e+05) Model 11 Missing interactions: 0.187 (230/1227) weighted: 0.0346 (1.16e+05/3.36e+06) <3: 0 (0/129) <3w: 0 (0/7.4e+05) Model 12 Missing interactions: 0.181 (224/1237) weighted: 0.0272 (8.41e+04/3.09e+06) <3: 0 (0/124) <3w: 0 (0/7.54e+05) Model 13 Missing interactions: 0.165 (199/1203) weighted: 0.0392 (1.3e+05/3.31e+06) <3: 0 (0/130) <3w: 0 (0/7.57e+05) Model 14 Missing interactions: 0.159 (190/1198) weighted: 0.021 (6.73e+04/3.21e+06) <3: 0 (0/127) <3w: 0 (0/7.65e+05) Model 15 Missing interactions: 0.168 (203/1211) weighted: 0.0399 (1.28e+05/3.21e+06) <3: 0 (0/127) <3w: 0 (0/7.38e+05) Model 16 Missing interactions: 0.173 (211/1219) weighted: 0.0358 (1.16e+05/3.25e+06) <3: 0 (0/130) <3w: 0 (0/7.66e+05) Model 17 Missing interactions: 0.177 (213/1200) weighted: 0.0599 (1.99e+05/3.33e+06) <3: 0 (0/125) <3w: 0 (0/7.74e+05) Model 18 Missing interactions: 0.193 (243/1260) weighted: 0.0394 (1.28e+05/3.26e+06) <3: 0 (0/127) <3w: 0 (0/7.7e+05) Model 19 Missing interactions: 0.168 (199/1183) weighted: 0.0367 (1.17e+05/3.2e+06) <3: 0 (0/127) <3w: 0 (0/7.71e+05) Model 20 Missing interactions: 0.173 (212/1228) weighted: 0.0601 (1.95e+05/3.25e+06) <3: 0 (0/130) <3w: 0 (0/7.67e+05) Model ave Recall: 0.949 Precision: all: 0.859 allw: 0.984 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.902 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.953 Precision: all: 0.815 allw: 0.963 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.878 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.96 Precision: all: 0.818 allw: 0.963 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.883 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.949 Precision: all: 0.814 allw: 0.971 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.877 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.956 Precision: all: 0.838 allw: 0.979 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.893 F-measure:(Recall,PrecisionW) 0.968 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.951 Precision: all: 0.829 allw: 0.95 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.886 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.954 Precision: all: 0.823 allw: 0.935 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.884 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.955 Precision: all: 0.839 allw: 0.94 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.893 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.952 Precision: all: 0.846 allw: 0.976 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.896 F-measure:(Recall,PrecisionW) 0.964 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.951 Precision: all: 0.83 allw: 0.964 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.886 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.958 Precision: all: 0.828 allw: 0.948 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.888 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.96 Precision: all: 0.813 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.88 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.946 Precision: all: 0.819 allw: 0.973 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.878 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.956 Precision: all: 0.835 allw: 0.961 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.891 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.952 Precision: all: 0.841 allw: 0.979 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.893 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.955 Precision: all: 0.832 allw: 0.96 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.889 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.96 Precision: all: 0.827 allw: 0.964 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.888 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.952 Precision: all: 0.823 allw: 0.94 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.882 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.948 Precision: all: 0.807 allw: 0.961 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.872 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.95 Precision: all: 0.832 allw: 0.963 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.887 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.951 Precision: all: 0.827 allw: 0.94 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.885 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.382(522/1366) Model ave Missing interactions: 0.106 (62/585) weighted: 0.0272 (9.57e+03/3.51e+05) <3: 0 (0/115) <3w: 0 (0/1.98e+05) Recall: 0.618 Precision: all: 0.894 allw: 0.973 F-measure:(RecallFree,PrecisionFree) 0.731 F-measure:(ReallFree,PrecisionFreeW) 0.756 Final M-score 0.0013 1/772 Model ave Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.975 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.969 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.879 Model 1 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.949 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.956 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.829 Model 2 Final Recall-score for input query structures: 0.968 Final Precision-score for input query structures: 0.94 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.954 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.821 Model 3 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.956 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.96 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.844 Model 4 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.962 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.963 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.856 Model 5 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.935 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.948 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.798 Model 6 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.93 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.945 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.786 Model 7 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.951 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.957 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.833 Model 8 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.958 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.961 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.848 Model 9 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.942 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.953 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.817 Model 10 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.937 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.951 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.809 Model 11 Final Recall-score for input query structures: 0.968 Final Precision-score for input query structures: 0.943 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.955 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.825 Model 12 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.945 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.953 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.817 Model 13 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.95 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.957 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.833 Model 14 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.952 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.957 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.833 Model 15 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.947 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.957 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.833 Model 16 Final Recall-score for input query structures: 0.966 Final Precision-score for input query structures: 0.953 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.959 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.84 Model 17 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.936 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.949 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.802 Model 18 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.94 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.952 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.813 Model 19 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.95 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.957 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.833 Model 20 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.94 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.607 Final Precision-score for freely-rotating-chain model: 0.959 Summary: F-score of input query structures: 0.95 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.805 Statistics: =========== NOESY_Assign: User CPU Time: 53.1 sec. Syst CPU Time: 0.9 sec. Other Processes: User CPU Time: 0.64 sec. Syst CPU Time: 0.05 sec. Total Elapsed Time: 54.8 sec.