# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 09:00:30 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR4527E_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR4527E_R3Cons_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: 0.0179(83/4644) Model 1 Inconsistent score: 0.0205(95/4644) Model 2 Inconsistent score: 0.0209(97/4644) Model 3 Inconsistent score: 0.0181(84/4644) Model 4 Inconsistent score: 0.0183(85/4644) Model 5 Inconsistent score: 0.0194(90/4644) Model 6 Inconsistent score: 0.0215(100/4644) Model 7 Inconsistent score: 0.0189(88/4644) Model 8 Inconsistent score: 0.0209(97/4644) Model 9 Inconsistent score: 0.0185(86/4644) Model 10 Inconsistent score: 0.0177(82/4644) Model 11 Inconsistent score: 0.0196(91/4644) Model 12 Inconsistent score: 0.0179(83/4644) Model 13 Inconsistent score: 0.0202(94/4644) Model 14 Inconsistent score: 0.0222(103/4644) Model 15 Inconsistent score: 0.0185(86/4644) Model 16 Inconsistent score: 0.0181(84/4644) Model 17 Inconsistent score: 0.0189(88/4644) Model 18 Inconsistent score: 0.0192(89/4644) Model 19 Inconsistent score: 0.0189(88/4644) Model 20 Inconsistent score: 0.0192(89/4644) Model ave Missing interactions: 0.257 (962/3743) weighted: 0.0297 (2.91e+05/9.8e+06) <3: 0.00219 (1/456) <3w: 0.000665 (3.13e+03/4.7e+06) Model 1 Missing interactions: 0.269 (1.03e+03/3837) weighted: 0.0539 (5.86e+05/1.09e+07) <3: 0.00218 (1/459) <3w: 0.000679 (3.23e+03/4.75e+06) Model 2 Missing interactions: 0.271 (1.03e+03/3818) weighted: 0.0465 (5.06e+05/1.09e+07) <3: 0.0022 (1/455) <3w: 0.000684 (3.23e+03/4.72e+06) Model 3 Missing interactions: 0.267 (1.03e+03/3859) weighted: 0.0468 (5.13e+05/1.1e+07) <3: 0.00217 (1/460) <3w: 0.000656 (3.1e+03/4.72e+06) Model 4 Missing interactions: 0.274 (1.08e+03/3935) weighted: 0.0492 (5.49e+05/1.12e+07) <3: 0.00219 (1/457) <3w: 0.000678 (3.23e+03/4.76e+06) Model 5 Missing interactions: 0.268 (1.02e+03/3821) weighted: 0.037 (4.04e+05/1.09e+07) <3: 0.0022 (1/455) <3w: 0.000651 (3.1e+03/4.76e+06) Model 6 Missing interactions: 0.273 (1.05e+03/3849) weighted: 0.0518 (5.77e+05/1.11e+07) <3: 0.00219 (1/456) <3w: 0.000631 (2.97e+03/4.71e+06) Model 7 Missing interactions: 0.27 (1.04e+03/3838) weighted: 0.0511 (5.63e+05/1.1e+07) <3: 0.0022 (1/455) <3w: 0.000634 (3.03e+03/4.79e+06) Model 8 Missing interactions: 0.273 (1.05e+03/3850) weighted: 0.0457 (4.97e+05/1.09e+07) <3: 0.00219 (1/456) <3w: 0.000671 (3.16e+03/4.71e+06) Model 9 Missing interactions: 0.279 (1.09e+03/3920) weighted: 0.0574 (6.33e+05/1.1e+07) <3: 0.0022 (1/455) <3w: 0.000663 (3.16e+03/4.77e+06) Model 10 Missing interactions: 0.275 (1.07e+03/3888) weighted: 0.0416 (4.56e+05/1.1e+07) <3: 0.00219 (1/457) <3w: 0.000635 (3.03e+03/4.78e+06) Model 11 Missing interactions: 0.279 (1.09e+03/3919) weighted: 0.0524 (5.73e+05/1.09e+07) <3: 0.00219 (1/456) <3w: 0.000636 (3.03e+03/4.77e+06) Model 12 Missing interactions: 0.275 (1.08e+03/3911) weighted: 0.0464 (5.04e+05/1.09e+07) <3: 0.00219 (1/456) <3w: 0.000642 (3.03e+03/4.73e+06) Model 13 Missing interactions: 0.286 (1.13e+03/3963) weighted: 0.0483 (5.24e+05/1.09e+07) <3: 0.00219 (1/457) <3w: 0.000652 (3.1e+03/4.75e+06) Model 14 Missing interactions: 0.27 (1.04e+03/3849) weighted: 0.052 (5.78e+05/1.11e+07) <3: 0.00219 (1/457) <3w: 0.000635 (3.03e+03/4.78e+06) Model 15 Missing interactions: 0.275 (1.06e+03/3864) weighted: 0.047 (5.14e+05/1.09e+07) <3: 0.00219 (1/457) <3w: 0.000655 (3.1e+03/4.73e+06) Model 16 Missing interactions: 0.275 (1.07e+03/3894) weighted: 0.044 (4.78e+05/1.09e+07) <3: 0.00219 (1/457) <3w: 0.000669 (3.16e+03/4.73e+06) Model 17 Missing interactions: 0.273 (1.06e+03/3878) weighted: 0.052 (5.63e+05/1.08e+07) <3: 0.00218 (1/458) <3w: 0.000666 (3.16e+03/4.74e+06) Model 18 Missing interactions: 0.274 (1.06e+03/3881) weighted: 0.0459 (5.02e+05/1.09e+07) <3: 0.00218 (1/458) <3w: 0.000676 (3.23e+03/4.77e+06) Model 19 Missing interactions: 0.27 (1.04e+03/3865) weighted: 0.0503 (5.65e+05/1.12e+07) <3: 0.00219 (1/456) <3w: 0.000653 (3.1e+03/4.74e+06) Model 20 Missing interactions: 0.278 (1.09e+03/3942) weighted: 0.0606 (6.79e+05/1.12e+07) <3: 0.0022 (1/454) <3w: 0.000694 (3.29e+03/4.75e+06) Model ave Recall: 0.982 Precision: all: 0.743 allw: 0.97 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.846 F-measure:(Recall,PrecisionW) 0.976 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.98 Precision: all: 0.731 allw: 0.946 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.979 Precision: all: 0.729 allw: 0.954 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.836 F-measure:(Recall,PrecisionW) 0.966 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.982 Precision: all: 0.733 allw: 0.953 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.839 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.982 Precision: all: 0.726 allw: 0.951 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.835 F-measure:(Recall,PrecisionW) 0.966 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.981 Precision: all: 0.732 allw: 0.963 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.838 F-measure:(Recall,PrecisionW) 0.972 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.978 Precision: all: 0.727 allw: 0.948 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.981 Precision: all: 0.73 allw: 0.949 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.979 Precision: all: 0.727 allw: 0.954 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.835 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.981 Precision: all: 0.721 allw: 0.943 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.832 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.982 Precision: all: 0.725 allw: 0.958 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.97 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.98 Precision: all: 0.721 allw: 0.948 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.831 F-measure:(Recall,PrecisionW) 0.964 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.982 Precision: all: 0.725 allw: 0.954 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.968 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.98 Precision: all: 0.714 allw: 0.952 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.966 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.978 Precision: all: 0.73 allw: 0.948 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.836 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.981 Precision: all: 0.725 allw: 0.953 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.982 Precision: all: 0.725 allw: 0.956 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.969 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.981 Precision: all: 0.727 allw: 0.948 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.835 F-measure:(Recall,PrecisionW) 0.964 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.981 Precision: all: 0.726 allw: 0.954 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.981 Precision: all: 0.73 allw: 0.95 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.981 Precision: all: 0.722 allw: 0.939 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.832 F-measure:(Recall,PrecisionW) 0.96 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: 0.0293(40/1366) Model 1 Inconsistent score: 0.03(41/1366) Model 2 Inconsistent score: 0.0351(48/1366) Model 3 Inconsistent score: 0.0322(44/1366) Model 4 Inconsistent score: 0.0329(45/1366) Model 5 Inconsistent score: 0.0337(46/1366) Model 6 Inconsistent score: 0.03(41/1366) Model 7 Inconsistent score: 0.0322(44/1366) Model 8 Inconsistent score: 0.0329(45/1366) Model 9 Inconsistent score: 0.03(41/1366) Model 10 Inconsistent score: 0.0256(35/1366) Model 11 Inconsistent score: 0.0329(45/1366) Model 12 Inconsistent score: 0.0271(37/1366) Model 13 Inconsistent score: 0.0322(44/1366) Model 14 Inconsistent score: 0.0344(47/1366) Model 15 Inconsistent score: 0.0322(44/1366) Model 16 Inconsistent score: 0.03(41/1366) Model 17 Inconsistent score: 0.0359(49/1366) Model 18 Inconsistent score: 0.0337(46/1366) Model 19 Inconsistent score: 0.0293(40/1366) Model 20 Inconsistent score: 0.0395(54/1366) Model ave Missing interactions: 0.149 (178/1193) weighted: 0.0171 (4.91e+04/2.86e+06) <3: 0 (0/125) <3w: 0 (0/7.86e+05) Model 1 Missing interactions: 0.156 (188/1205) weighted: 0.0281 (8.9e+04/3.17e+06) <3: 0 (0/128) <3w: 0 (0/7.84e+05) Model 2 Missing interactions: 0.163 (199/1219) weighted: 0.0435 (1.43e+05/3.3e+06) <3: 0 (0/124) <3w: 0 (0/7.63e+05) Model 3 Missing interactions: 0.157 (190/1212) weighted: 0.0337 (1.1e+05/3.27e+06) <3: 0 (0/129) <3w: 0 (0/7.7e+05) Model 4 Missing interactions: 0.162 (199/1225) weighted: 0.045 (1.51e+05/3.36e+06) <3: 0 (0/126) <3w: 0 (0/8.22e+05) Model 5 Missing interactions: 0.149 (178/1195) weighted: 0.0208 (6.75e+04/3.25e+06) <3: 0 (0/124) <3w: 0 (0/7.65e+05) Model 6 Missing interactions: 0.165 (201/1219) weighted: 0.0347 (1.14e+05/3.29e+06) <3: 0 (0/125) <3w: 0 (0/7.9e+05) Model 7 Missing interactions: 0.163 (199/1222) weighted: 0.0312 (1.02e+05/3.26e+06) <3: 0 (0/124) <3w: 0 (0/7.84e+05) Model 8 Missing interactions: 0.161 (198/1231) weighted: 0.0544 (1.8e+05/3.31e+06) <3: 0 (0/125) <3w: 0 (0/7.62e+05) Model 9 Missing interactions: 0.165 (203/1229) weighted: 0.05 (1.63e+05/3.27e+06) <3: 0 (0/124) <3w: 0 (0/7.7e+05) Model 10 Missing interactions: 0.171 (210/1229) weighted: 0.0299 (9.66e+04/3.23e+06) <3: 0 (0/126) <3w: 0 (0/7.76e+05) Model 11 Missing interactions: 0.165 (204/1236) weighted: 0.0375 (1.25e+05/3.32e+06) <3: 0 (0/125) <3w: 0 (0/7.94e+05) Model 12 Missing interactions: 0.164 (200/1223) weighted: 0.0277 (8.9e+04/3.22e+06) <3: 0 (0/125) <3w: 0 (0/7.72e+05) Model 13 Missing interactions: 0.16 (198/1238) weighted: 0.0229 (7.31e+04/3.19e+06) <3: 0 (0/126) <3w: 0 (0/7.81e+05) Model 14 Missing interactions: 0.155 (188/1214) weighted: 0.0316 (1.04e+05/3.3e+06) <3: 0 (0/126) <3w: 0 (0/7.85e+05) Model 15 Missing interactions: 0.171 (211/1231) weighted: 0.0264 (8.57e+04/3.25e+06) <3: 0 (0/126) <3w: 0 (0/7.65e+05) Model 16 Missing interactions: 0.162 (198/1222) weighted: 0.0277 (8.95e+04/3.23e+06) <3: 0 (0/126) <3w: 0 (0/7.74e+05) Model 17 Missing interactions: 0.168 (205/1223) weighted: 0.0247 (7.92e+04/3.21e+06) <3: 0 (0/127) <3w: 0 (0/8e+05) Model 18 Missing interactions: 0.169 (209/1236) weighted: 0.0563 (1.86e+05/3.3e+06) <3: 0 (0/127) <3w: 0 (0/7.75e+05) Model 19 Missing interactions: 0.155 (188/1214) weighted: 0.0496 (1.68e+05/3.38e+06) <3: 0 (0/125) <3w: 0 (0/8.01e+05) Model 20 Missing interactions: 0.174 (218/1250) weighted: 0.0387 (1.24e+05/3.21e+06) <3: 0 (0/123) <3w: 0 (0/7.76e+05) Model ave Recall: 0.971 Precision: all: 0.851 allw: 0.983 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.907 F-measure:(Recall,PrecisionW) 0.977 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.97 Precision: all: 0.844 allw: 0.972 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.903 F-measure:(Recall,PrecisionW) 0.971 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.965 Precision: all: 0.837 allw: 0.957 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.896 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.968 Precision: all: 0.843 allw: 0.966 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.901 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.967 Precision: all: 0.838 allw: 0.955 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.898 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.966 Precision: all: 0.851 allw: 0.979 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.905 F-measure:(Recall,PrecisionW) 0.973 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.97 Precision: all: 0.835 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.898 F-measure:(Recall,PrecisionW) 0.968 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.968 Precision: all: 0.837 allw: 0.969 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.898 F-measure:(Recall,PrecisionW) 0.968 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.967 Precision: all: 0.839 allw: 0.946 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.899 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.97 Precision: all: 0.835 allw: 0.95 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.897 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.974 Precision: all: 0.829 allw: 0.97 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.896 F-measure:(Recall,PrecisionW) 0.972 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.967 Precision: all: 0.835 allw: 0.962 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.896 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.973 Precision: all: 0.836 allw: 0.972 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.9 F-measure:(Recall,PrecisionW) 0.973 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.968 Precision: all: 0.84 allw: 0.977 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.899 F-measure:(Recall,PrecisionW) 0.972 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.966 Precision: all: 0.845 allw: 0.968 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.901 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.968 Precision: all: 0.829 allw: 0.974 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.893 F-measure:(Recall,PrecisionW) 0.971 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.97 Precision: all: 0.838 allw: 0.972 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.899 F-measure:(Recall,PrecisionW) 0.971 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.964 Precision: all: 0.832 allw: 0.975 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.893 F-measure:(Recall,PrecisionW) 0.97 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.966 Precision: all: 0.831 allw: 0.944 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.894 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.971 Precision: all: 0.845 allw: 0.95 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.904 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.96 Precision: all: 0.826 allw: 0.961 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.888 F-measure:(Recall,PrecisionW) 0.961 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: 0.98 Final Precision-score for input query structures: 0.973 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: 0.976 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.907 Model 1 Final Recall-score for input query structures: 0.977 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: 0.964 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.86 Model 2 Final Recall-score for input query structures: 0.976 Final Precision-score for input query structures: 0.954 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: 0.965 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.864 Model 3 Final Recall-score for input query structures: 0.979 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: 0.967 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.872 Model 4 Final Recall-score for input query structures: 0.978 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: 0.965 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.864 Model 5 Final Recall-score for input query structures: 0.977 Final Precision-score for input query structures: 0.967 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: 0.972 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.891 Model 6 Final Recall-score for input query structures: 0.977 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: 0.964 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.86 Model 7 Final Recall-score for input query structures: 0.978 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: 0.966 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.868 Model 8 Final Recall-score for input query structures: 0.976 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: 0.964 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.86 Model 9 Final Recall-score for input query structures: 0.979 Final Precision-score for input query structures: 0.944 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 10 Final Recall-score for input query structures: 0.981 Final Precision-score for input query structures: 0.961 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: 0.971 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.887 Model 11 Final Recall-score for input query structures: 0.977 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: 0.964 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.86 Model 12 Final Recall-score for input query structures: 0.98 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: 0.969 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.879 Model 13 Final Recall-score for input query structures: 0.977 Final Precision-score for input query structures: 0.957 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: 0.967 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.872 Model 14 Final Recall-score for input query structures: 0.975 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: 0.964 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.86 Model 15 Final Recall-score for input query structures: 0.978 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: 0.968 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.875 Model 16 Final Recall-score for input query structures: 0.979 Final Precision-score for input query structures: 0.96 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 17 Final Recall-score for input query structures: 0.977 Final Precision-score for input query structures: 0.954 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: 0.966 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.868 Model 18 Final Recall-score for input query structures: 0.978 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: 0.964 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.86 Model 19 Final Recall-score for input query structures: 0.979 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: 0.964 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.86 Model 20 Final Recall-score for input query structures: 0.976 Final Precision-score for input query structures: 0.944 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 Statistics: =========== NOESY_Assign: User CPU Time: 52.2 sec. Syst CPU Time: 0.86 sec. Other Processes: User CPU Time: 0.63 sec. Syst CPU Time: 0.05 sec. Total Elapsed Time: 53.7 sec.