# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 09:14:26 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/HR4527E_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q HR4527E_NMR_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: 0.0183(85/4644) Model 1 Inconsistent score: 0.0211(98/4644) Model 2 Inconsistent score: 0.0207(96/4644) Model 3 Inconsistent score: 0.0211(98/4644) Model 4 Inconsistent score: 0.0245(114/4644) Model 5 Inconsistent score: 0.0211(98/4644) Model 6 Inconsistent score: 0.0209(97/4644) Model 7 Inconsistent score: 0.0233(108/4644) Model 8 Inconsistent score: 0.0241(112/4644) Model 9 Inconsistent score: 0.0187(87/4644) Model 10 Inconsistent score: 0.02(93/4644) Model 11 Inconsistent score: 0.0185(86/4644) Model 12 Inconsistent score: 0.0224(104/4644) Model 13 Inconsistent score: 0.0235(109/4644) Model 14 Inconsistent score: 0.0209(97/4644) Model 15 Inconsistent score: 0.0228(106/4644) Model 16 Inconsistent score: 0.0224(104/4644) Model 17 Inconsistent score: 0.022(102/4644) Model 18 Inconsistent score: 0.0226(105/4644) Model 19 Inconsistent score: 0.0211(98/4644) Model 20 Inconsistent score: 0.0211(98/4644) Model ave Missing interactions: 0.257 (965/3762) weighted: 0.03 (2.86e+05/9.54e+06) <3: 0.00218 (1/459) <3w: 0.000719 (3.36e+03/4.67e+06) Model 1 Missing interactions: 0.281 (1.1e+03/3913) weighted: 0.0554 (6.15e+05/1.11e+07) <3: 0.00218 (1/459) <3w: 0.000713 (3.36e+03/4.72e+06) Model 2 Missing interactions: 0.286 (1.13e+03/3948) weighted: 0.0488 (5.5e+05/1.13e+07) <3: 0.00219 (1/456) <3w: 0.000683 (3.23e+03/4.73e+06) Model 3 Missing interactions: 0.273 (1.05e+03/3858) weighted: 0.0441 (4.97e+05/1.13e+07) <3: 0.0022 (1/454) <3w: 0.000631 (2.97e+03/4.71e+06) Model 4 Missing interactions: 0.274 (1.05e+03/3839) weighted: 0.0426 (4.68e+05/1.1e+07) <3: 0.0022 (1/455) <3w: 0.000708 (3.36e+03/4.75e+06) Model 5 Missing interactions: 0.277 (1.08e+03/3910) weighted: 0.0462 (5.17e+05/1.12e+07) <3: 0.0022 (1/454) <3w: 0.000762 (3.65e+03/4.8e+06) Model 6 Missing interactions: 0.271 (1.06e+03/3895) weighted: 0.043 (4.86e+05/1.13e+07) <3: 0.00218 (1/458) <3w: 0.000684 (3.23e+03/4.72e+06) Model 7 Missing interactions: 0.281 (1.11e+03/3942) weighted: 0.0625 (7.16e+05/1.15e+07) <3: 0.00219 (1/457) <3w: 0.000678 (3.23e+03/4.76e+06) Model 8 Missing interactions: 0.282 (1.1e+03/3910) weighted: 0.0495 (5.62e+05/1.13e+07) <3: 0.00218 (1/459) <3w: 0.000659 (3.1e+03/4.7e+06) Model 9 Missing interactions: 0.285 (1.12e+03/3936) weighted: 0.0496 (5.61e+05/1.13e+07) <3: 0.0022 (1/455) <3w: 0.000646 (3.1e+03/4.79e+06) Model 10 Missing interactions: 0.263 (993/3771) weighted: 0.0549 (6.24e+05/1.14e+07) <3: 0.0022 (1/455) <3w: 0.000648 (3.1e+03/4.78e+06) Model 11 Missing interactions: 0.277 (1.09e+03/3935) weighted: 0.0487 (5.4e+05/1.11e+07) <3: 0.00218 (1/458) <3w: 0.000655 (3.1e+03/4.73e+06) Model 12 Missing interactions: 0.276 (1.07e+03/3881) weighted: 0.042 (4.75e+05/1.13e+07) <3: 0.00219 (1/457) <3w: 0.000668 (3.16e+03/4.73e+06) Model 13 Missing interactions: 0.278 (1.08e+03/3871) weighted: 0.0485 (5.55e+05/1.15e+07) <3: 0.00219 (1/457) <3w: 0.00064 (3.03e+03/4.74e+06) Model 14 Missing interactions: 0.276 (1.08e+03/3916) weighted: 0.0568 (6.37e+05/1.12e+07) <3: 0.0022 (1/454) <3w: 0.0008 (3.81e+03/4.76e+06) Model 15 Missing interactions: 0.271 (1.05e+03/3873) weighted: 0.0481 (5.39e+05/1.12e+07) <3: 0.00219 (1/456) <3w: 0.000627 (2.97e+03/4.74e+06) Model 16 Missing interactions: 0.273 (1.05e+03/3848) weighted: 0.0491 (5.53e+05/1.13e+07) <3: 0.00218 (1/458) <3w: 0.000691 (3.29e+03/4.76e+06) Model 17 Missing interactions: 0.28 (1.11e+03/3964) weighted: 0.0546 (6.24e+05/1.14e+07) <3: 0.00219 (1/457) <3w: 0.000763 (3.65e+03/4.79e+06) Model 18 Missing interactions: 0.273 (1.04e+03/3830) weighted: 0.0507 (5.77e+05/1.14e+07) <3: 0.00219 (1/457) <3w: 0.000653 (3.03e+03/4.65e+06) Model 19 Missing interactions: 0.28 (1.09e+03/3886) weighted: 0.0482 (5.39e+05/1.12e+07) <3: 0.00219 (1/456) <3w: 0.000711 (3.36e+03/4.73e+06) Model 20 Missing interactions: 0.267 (1.03e+03/3856) weighted: 0.0462 (5.12e+05/1.11e+07) <3: 0.00219 (1/457) <3w: 0.000721 (3.43e+03/4.76e+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: 0.979 Precision: all: 0.719 allw: 0.945 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.979 Precision: all: 0.714 allw: 0.951 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.979 Precision: all: 0.727 allw: 0.956 <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 4 Recall: 0.975 Precision: all: 0.726 allw: 0.957 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.833 F-measure:(Recall,PrecisionW) 0.966 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.979 Precision: all: 0.723 allw: 0.954 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.832 F-measure:(Recall,PrecisionW) 0.966 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.979 Precision: all: 0.729 allw: 0.957 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.836 F-measure:(Recall,PrecisionW) 0.968 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.977 Precision: all: 0.719 allw: 0.937 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.976 Precision: all: 0.718 allw: 0.95 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.981 Precision: all: 0.715 allw: 0.95 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.966 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.98 Precision: all: 0.737 allw: 0.945 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.841 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.981 Precision: all: 0.723 allw: 0.951 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.833 F-measure:(Recall,PrecisionW) 0.966 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.978 Precision: all: 0.724 allw: 0.958 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.832 F-measure:(Recall,PrecisionW) 0.968 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.977 Precision: all: 0.722 allw: 0.952 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.83 F-measure:(Recall,PrecisionW) 0.964 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.979 Precision: all: 0.724 allw: 0.943 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.833 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.977 Precision: all: 0.729 allw: 0.952 <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 16 Recall: 0.978 Precision: all: 0.727 allw: 0.951 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.834 F-measure:(Recall,PrecisionW) 0.964 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.978 Precision: all: 0.72 allw: 0.945 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.977 Precision: all: 0.727 allw: 0.949 <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 19 Recall: 0.979 Precision: all: 0.72 allw: 0.952 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.83 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 0.999 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.979 Precision: all: 0.733 allw: 0.954 <3: 0.998 <3w: 0.999 F-measure:(Recall,Precision) 0.839 F-measure:(Recall,PrecisionW) 0.966 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: 0.0256(35/1366) Model 1 Inconsistent score: 0.0286(39/1366) Model 2 Inconsistent score: 0.0322(44/1366) Model 3 Inconsistent score: 0.0286(39/1366) Model 4 Inconsistent score: 0.0322(44/1366) Model 5 Inconsistent score: 0.0366(50/1366) Model 6 Inconsistent score: 0.0322(44/1366) Model 7 Inconsistent score: 0.0278(38/1366) Model 8 Inconsistent score: 0.0293(40/1366) Model 9 Inconsistent score: 0.0315(43/1366) Model 10 Inconsistent score: 0.0329(45/1366) Model 11 Inconsistent score: 0.0337(46/1366) Model 12 Inconsistent score: 0.0329(45/1366) Model 13 Inconsistent score: 0.0344(47/1366) Model 14 Inconsistent score: 0.0359(49/1366) Model 15 Inconsistent score: 0.0322(44/1366) Model 16 Inconsistent score: 0.0381(52/1366) Model 17 Inconsistent score: 0.0351(48/1366) Model 18 Inconsistent score: 0.0315(43/1366) Model 19 Inconsistent score: 0.0366(50/1366) Model 20 Inconsistent score: 0.0315(43/1366) Model ave Missing interactions: 0.152 (184/1207) weighted: 0.0181 (5.17e+04/2.85e+06) <3: 0 (0/128) <3w: 0 (0/7.97e+05) Model 1 Missing interactions: 0.166 (204/1229) weighted: 0.0418 (1.43e+05/3.41e+06) <3: 0 (0/128) <3w: 0 (0/7.9e+05) Model 2 Missing interactions: 0.171 (214/1248) weighted: 0.0344 (1.17e+05/3.4e+06) <3: 0 (0/125) <3w: 0 (0/7.86e+05) Model 3 Missing interactions: 0.166 (202/1219) weighted: 0.045 (1.57e+05/3.49e+06) <3: 0 (0/123) <3w: 0 (0/8.06e+05) Model 4 Missing interactions: 0.18 (224/1244) weighted: 0.0485 (1.67e+05/3.44e+06) <3: 0 (0/124) <3w: 0 (0/7.99e+05) Model 5 Missing interactions: 0.172 (213/1235) weighted: 0.0684 (2.4e+05/3.5e+06) <3: 0 (0/123) <3w: 0 (0/8.03e+05) Model 6 Missing interactions: 0.179 (223/1245) weighted: 0.0387 (1.29e+05/3.33e+06) <3: 0 (0/127) <3w: 0 (0/7.79e+05) Model 7 Missing interactions: 0.174 (220/1262) weighted: 0.0481 (1.69e+05/3.5e+06) <3: 0 (0/126) <3w: 0 (0/8.32e+05) Model 8 Missing interactions: 0.173 (212/1226) weighted: 0.0264 (9.28e+04/3.51e+06) <3: 0 (0/128) <3w: 0 (0/7.75e+05) Model 9 Missing interactions: 0.173 (214/1237) weighted: 0.0422 (1.39e+05/3.3e+06) <3: 0 (0/124) <3w: 0 (0/7.82e+05) Model 10 Missing interactions: 0.169 (206/1217) weighted: 0.0455 (1.56e+05/3.44e+06) <3: 0 (0/124) <3w: 0 (0/8.34e+05) Model 11 Missing interactions: 0.17 (212/1245) weighted: 0.035 (1.19e+05/3.4e+06) <3: 0 (0/127) <3w: 0 (0/8.07e+05) Model 12 Missing interactions: 0.166 (203/1226) weighted: 0.029 (9.96e+04/3.43e+06) <3: 0 (0/126) <3w: 0 (0/7.64e+05) Model 13 Missing interactions: 0.16 (195/1222) weighted: 0.0258 (8.69e+04/3.37e+06) <3: 0 (0/126) <3w: 0 (0/8.04e+05) Model 14 Missing interactions: 0.179 (225/1258) weighted: 0.052 (1.79e+05/3.44e+06) <3: 0 (0/123) <3w: 0 (0/8.34e+05) Model 15 Missing interactions: 0.163 (200/1227) weighted: 0.0279 (9.59e+04/3.44e+06) <3: 0 (0/125) <3w: 0 (0/8.03e+05) Model 16 Missing interactions: 0.169 (209/1234) weighted: 0.0287 (9.79e+04/3.41e+06) <3: 0 (0/127) <3w: 0 (0/8.35e+05) Model 17 Missing interactions: 0.166 (206/1242) weighted: 0.0524 (1.86e+05/3.54e+06) <3: 0 (0/126) <3w: 0 (0/8.39e+05) Model 18 Missing interactions: 0.173 (214/1238) weighted: 0.0511 (1.83e+05/3.59e+06) <3: 0 (0/126) <3w: 0 (0/7.83e+05) Model 19 Missing interactions: 0.167 (203/1215) weighted: 0.0289 (9.84e+04/3.4e+06) <3: 0 (0/125) <3w: 0 (0/8.06e+05) Model 20 Missing interactions: 0.166 (204/1232) weighted: 0.052 (1.76e+05/3.39e+06) <3: 0 (0/126) <3w: 0 (0/8.04e+05) Model ave Recall: 0.974 Precision: all: 0.848 allw: 0.982 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.907 F-measure:(Recall,PrecisionW) 0.978 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.971 Precision: all: 0.834 allw: 0.958 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.897 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.968 Precision: all: 0.829 allw: 0.966 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.893 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.971 Precision: all: 0.834 allw: 0.955 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.898 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.968 Precision: all: 0.82 allw: 0.952 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.888 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.963 Precision: all: 0.828 allw: 0.932 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.89 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.968 Precision: all: 0.821 allw: 0.961 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.888 F-measure:(Recall,PrecisionW) 0.965 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.972 Precision: all: 0.826 allw: 0.952 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.893 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.971 Precision: all: 0.827 allw: 0.974 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.893 F-measure:(Recall,PrecisionW) 0.972 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.969 Precision: all: 0.827 allw: 0.958 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.892 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.967 Precision: all: 0.831 allw: 0.955 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.894 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.966 Precision: all: 0.83 allw: 0.965 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.893 F-measure:(Recall,PrecisionW) 0.966 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.967 Precision: all: 0.834 allw: 0.971 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.896 F-measure:(Recall,PrecisionW) 0.969 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.966 Precision: all: 0.84 allw: 0.974 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.899 F-measure:(Recall,PrecisionW) 0.97 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.964 Precision: all: 0.821 allw: 0.948 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.887 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.968 Precision: all: 0.837 allw: 0.972 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.898 F-measure:(Recall,PrecisionW) 0.97 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.962 Precision: all: 0.831 allw: 0.971 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.891 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.965 Precision: all: 0.834 allw: 0.948 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.895 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.969 Precision: all: 0.827 allw: 0.949 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.892 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.963 Precision: all: 0.833 allw: 0.971 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.893 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.969 Precision: all: 0.834 allw: 0.948 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.896 F-measure:(Recall,PrecisionW) 0.958 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: 0.948 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: 0.962 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.852 Model 2 Final Recall-score for input query structures: 0.977 Final Precision-score for input query structures: 0.955 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: 0.977 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: 0.966 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.868 Model 4 Final Recall-score for input query structures: 0.974 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: 0.965 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: 0.975 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: 0.962 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.852 Model 6 Final Recall-score for input query structures: 0.977 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: 0.967 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.872 Model 7 Final Recall-score for input query structures: 0.976 Final Precision-score for input query structures: 0.941 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: 0.958 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.837 Model 8 Final Recall-score for input query structures: 0.975 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: 0.965 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.864 Model 9 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 10 Final Recall-score for input query structures: 0.977 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: 0.962 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.852 Model 11 Final Recall-score for input query structures: 0.978 Final Precision-score for input query structures: 0.955 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 12 Final Recall-score for input query structures: 0.975 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: 0.968 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.875 Model 13 Final Recall-score for input query structures: 0.974 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: 0.965 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.864 Model 14 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 Model 15 Final Recall-score for input query structures: 0.975 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: 0.966 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.868 Model 16 Final Recall-score for input query structures: 0.974 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: 0.965 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.864 Model 17 Final Recall-score for input query structures: 0.975 Final Precision-score for input query structures: 0.946 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 18 Final Recall-score for input query structures: 0.975 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: 0.962 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.852 Model 19 Final Recall-score for input query structures: 0.975 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: 0.966 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.743 DP-Score: 0.868 Model 20 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 Statistics: =========== NOESY_Assign: User CPU Time: 52.5 sec. Syst CPU Time: 0.94 sec. Other Processes: User CPU Time: 0.66 sec. Syst CPU Time: 0.04 sec. Total Elapsed Time: 54.2 sec.