# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 21:14:38 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SGR42_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SGR42_R3Cons_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 97 Number of peaks NOT matched in the Peak List: 9 M score = 0.093 Average shift in HX: 0 Average ab-shift in HX: 0(Assignment used: 63) Average shift in X: 0 Average ab-shift in X: 0(Assignment used: 59) Average shift in HX2: 0.001 Average ab-shift in HX2: 0.0029(Assignment used: 80) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0322(14/435) Model 1 Inconsistent score: 0.0368(16/435) Model 2 Inconsistent score: 0.0345(15/435) Model 3 Inconsistent score: 0.0345(15/435) Model 4 Inconsistent score: 0.0322(14/435) Model 5 Inconsistent score: 0.0322(14/435) Model 6 Inconsistent score: 0.0345(15/435) Model 7 Inconsistent score: 0.0345(15/435) Model 8 Inconsistent score: 0.0322(14/435) Model 9 Inconsistent score: 0.0345(15/435) Model 10 Inconsistent score: 0.0322(14/435) Model 11 Inconsistent score: 0.0345(15/435) Model 12 Inconsistent score: 0.0322(14/435) Model 13 Inconsistent score: 0.0345(15/435) Model 14 Inconsistent score: 0.0345(15/435) Model 15 Inconsistent score: 0.0322(14/435) Model 16 Inconsistent score: 0.0345(15/435) Model 17 Inconsistent score: 0.0322(14/435) Model 18 Inconsistent score: 0.0322(14/435) Model 19 Inconsistent score: 0.0322(14/435) Model 20 Inconsistent score: 0.0345(15/435) Model ave Missing interactions: 0.51 (494/968) weighted: 0.0839 (2.02e+05/2.41e+06) <3: 0.0476 (5/105) <3w: 0.0348 (1.94e+04/5.59e+05) Model 1 Missing interactions: 0.525 (526/1001) weighted: 0.112 (3.08e+05/2.76e+06) <3: 0.0374 (4/107) <3w: 0.042 (2.44e+04/5.81e+05) Model 2 Missing interactions: 0.524 (517/987) weighted: 0.0967 (2.61e+05/2.7e+06) <3: 0.0374 (4/107) <3w: 0.0219 (1.34e+04/6.1e+05) Model 3 Missing interactions: 0.518 (509/983) weighted: 0.0987 (2.75e+05/2.79e+06) <3: 0.0364 (4/110) <3w: 0.0237 (1.33e+04/5.61e+05) Model 4 Missing interactions: 0.514 (499/971) weighted: 0.0963 (2.57e+05/2.66e+06) <3: 0.0367 (4/109) <3w: 0.0217 (1.28e+04/5.88e+05) Model 5 Missing interactions: 0.522 (521/999) weighted: 0.107 (2.87e+05/2.68e+06) <3: 0.0374 (4/107) <3w: 0.0248 (1.44e+04/5.81e+05) Model 6 Missing interactions: 0.517 (506/978) weighted: 0.11 (3.12e+05/2.82e+06) <3: 0.0388 (4/103) <3w: 0.0237 (1.34e+04/5.65e+05) Model 7 Missing interactions: 0.514 (502/977) weighted: 0.103 (2.81e+05/2.73e+06) <3: 0.0385 (4/104) <3w: 0.0219 (1.31e+04/5.97e+05) Model 8 Missing interactions: 0.516 (512/992) weighted: 0.0964 (2.67e+05/2.77e+06) <3: 0.0367 (4/109) <3w: 0.0222 (1.28e+04/5.79e+05) Model 9 Missing interactions: 0.521 (513/984) weighted: 0.0961 (2.58e+05/2.68e+06) <3: 0.0392 (4/102) <3w: 0.0231 (1.32e+04/5.71e+05) Model 10 Missing interactions: 0.525 (522/994) weighted: 0.0984 (2.72e+05/2.77e+06) <3: 0.0377 (4/106) <3w: 0.0232 (1.31e+04/5.63e+05) Model 11 Missing interactions: 0.516 (501/970) weighted: 0.0851 (2.22e+05/2.61e+06) <3: 0.0374 (4/107) <3w: 0.0225 (1.3e+04/5.78e+05) Model 12 Missing interactions: 0.521 (514/987) weighted: 0.0947 (2.58e+05/2.72e+06) <3: 0.0377 (4/106) <3w: 0.0234 (1.31e+04/5.6e+05) Model 13 Missing interactions: 0.516 (512/992) weighted: 0.0937 (2.55e+05/2.73e+06) <3: 0.0374 (4/107) <3w: 0.043 (2.51e+04/5.85e+05) Model 14 Missing interactions: 0.516 (511/990) weighted: 0.0926 (2.51e+05/2.71e+06) <3: 0.0374 (4/107) <3w: 0.0407 (2.45e+04/6.01e+05) Model 15 Missing interactions: 0.518 (514/992) weighted: 0.104 (2.82e+05/2.72e+06) <3: 0.0377 (4/106) <3w: 0.0233 (1.31e+04/5.61e+05) Model 16 Missing interactions: 0.513 (499/973) weighted: 0.0986 (2.75e+05/2.79e+06) <3: 0.0374 (4/107) <3w: 0.0223 (1.3e+04/5.84e+05) Model 17 Missing interactions: 0.517 (509/985) weighted: 0.112 (3.09e+05/2.76e+06) <3: 0.0381 (4/105) <3w: 0.0234 (1.28e+04/5.47e+05) Model 18 Missing interactions: 0.515 (507/984) weighted: 0.0917 (2.53e+05/2.76e+06) <3: 0.0377 (4/106) <3w: 0.0247 (1.37e+04/5.54e+05) Model 19 Missing interactions: 0.52 (515/991) weighted: 0.1 (2.8e+05/2.79e+06) <3: 0.0476 (5/105) <3w: 0.0219 (1.3e+04/5.94e+05) Model 20 Missing interactions: 0.519 (507/977) weighted: 0.0848 (2.3e+05/2.71e+06) <3: 0.0374 (4/107) <3w: 0.0613 (3.54e+04/5.78e+05) Model ave Recall: 0.968 Precision: all: 0.49 allw: 0.916 <3: 0.952 <3w: 0.965 F-measure:(Recall,Precision) 0.65 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.976 F-measure:(0,PrecisionIdealW) 0.982 Model 1 Recall: 0.963 Precision: all: 0.475 allw: 0.888 <3: 0.963 <3w: 0.958 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.979 Model 2 Recall: 0.966 Precision: all: 0.476 allw: 0.903 <3: 0.963 <3w: 0.978 F-measure:(Recall,Precision) 0.638 F-measure:(Recall,PrecisionW) 0.933 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.989 Model 3 Recall: 0.966 Precision: all: 0.482 allw: 0.901 <3: 0.964 <3w: 0.976 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.988 Model 4 Recall: 0.968 Precision: all: 0.486 allw: 0.904 <3: 0.963 <3w: 0.978 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.989 Model 5 Recall: 0.968 Precision: all: 0.478 allw: 0.893 <3: 0.963 <3w: 0.975 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.987 Model 6 Recall: 0.966 Precision: all: 0.483 allw: 0.89 <3: 0.961 <3w: 0.976 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.988 Model 7 Recall: 0.966 Precision: all: 0.486 allw: 0.897 <3: 0.962 <3w: 0.978 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.989 Model 8 Recall: 0.968 Precision: all: 0.484 allw: 0.904 <3: 0.963 <3w: 0.978 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.989 Model 9 Recall: 0.966 Precision: all: 0.479 allw: 0.904 <3: 0.961 <3w: 0.977 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.988 Model 10 Recall: 0.968 Precision: all: 0.475 allw: 0.902 <3: 0.962 <3w: 0.977 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.988 Model 11 Recall: 0.966 Precision: all: 0.484 allw: 0.915 <3: 0.963 <3w: 0.977 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.989 Model 12 Recall: 0.968 Precision: all: 0.479 allw: 0.905 <3: 0.962 <3w: 0.977 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.988 Model 13 Recall: 0.966 Precision: all: 0.484 allw: 0.906 <3: 0.963 <3w: 0.957 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.978 Model 14 Recall: 0.966 Precision: all: 0.484 allw: 0.907 <3: 0.963 <3w: 0.959 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.979 Model 15 Recall: 0.968 Precision: all: 0.482 allw: 0.896 <3: 0.962 <3w: 0.977 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.931 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.988 Model 16 Recall: 0.966 Precision: all: 0.487 allw: 0.901 <3: 0.963 <3w: 0.978 F-measure:(Recall,Precision) 0.648 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.989 Model 17 Recall: 0.968 Precision: all: 0.483 allw: 0.888 <3: 0.962 <3w: 0.977 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.988 Model 18 Recall: 0.968 Precision: all: 0.485 allw: 0.908 <3: 0.962 <3w: 0.975 F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.987 Model 19 Recall: 0.968 Precision: all: 0.48 allw: 0.9 <3: 0.952 <3w: 0.978 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.976 F-measure:(0,PrecisionIdealW) 0.989 Model 20 Recall: 0.966 Precision: all: 0.481 allw: 0.915 <3: 0.963 <3w: 0.939 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.981 F-measure:(0,PrecisionIdealW) 0.968 For freely-rotating-chain model: Model ave Inconsistent score: 0.239(104/435) Model ave Missing interactions: 0.342 (167/488) weighted: 0.146 (4.13e+04/2.82e+05) <3: 0.06 (6/100) <3w: 0.0494 (7.75e+03/1.57e+05) Recall: 0.761 Precision: all: 0.658 allw: 0.854 F-measure:(RecallFree,PrecisionFree) 0.706 F-measure:(ReallFree,PrecisionFreeW) 0.805 # Summary for c_aro.peaks Total simulated peaks: 13 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: 8) Average shift in X: 0 Average ab-shift in X: 0(Assignment used: 8) Average shift in HX2: 0.00082 Average ab-shift in HX2: 0.00082(Assignment used: 11) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.05(5/100) Model 1 Inconsistent score: 0.02(2/100) Model 2 Inconsistent score: 0.03(3/100) Model 3 Inconsistent score: 0.04(4/100) Model 4 Inconsistent score: 0.03(3/100) Model 5 Inconsistent score: 0.02(2/100) Model 6 Inconsistent score: 0.04(4/100) Model 7 Inconsistent score: 0.03(3/100) Model 8 Inconsistent score: 0.02(2/100) Model 9 Inconsistent score: 0.03(3/100) Model 10 Inconsistent score: 0.04(4/100) Model 11 Inconsistent score: 0.03(3/100) Model 12 Inconsistent score: 0.02(2/100) Model 13 Inconsistent score: 0.03(3/100) Model 14 Inconsistent score: 0.03(3/100) Model 15 Inconsistent score: 0.02(2/100) Model 16 Inconsistent score: 0.04(4/100) Model 17 Inconsistent score: 0.03(3/100) Model 18 Inconsistent score: 0.04(4/100) Model 19 Inconsistent score: 0.02(2/100) Model 20 Inconsistent score: 0.04(4/100) Model ave Missing interactions: 0.611 (176/288) weighted: 0.188 (6.08e+04/3.23e+05) <3: 0.0714 (1/14) <3w: 0.00195 (65.2/3.35e+04) Model 1 Missing interactions: 0.606 (180/297) weighted: 0.192 (7.61e+04/3.97e+05) <3: 0 (0/12) <3w: 0 (0/3.33e+04) Model 2 Missing interactions: 0.644 (201/312) weighted: 0.247 (1.17e+05/4.71e+05) <3: 0 (0/13) <3w: 0 (0/3.35e+04) Model 3 Missing interactions: 0.642 (201/313) weighted: 0.202 (8.63e+04/4.28e+05) <3: 0 (0/14) <3w: 0 (0/3.36e+04) Model 4 Missing interactions: 0.606 (180/297) weighted: 0.2 (7.95e+04/3.98e+05) <3: 0 (0/13) <3w: 0 (0/3.34e+04) Model 5 Missing interactions: 0.617 (187/303) weighted: 0.197 (7.89e+04/4.01e+05) <3: 0 (0/13) <3w: 0 (0/3.35e+04) Model 6 Missing interactions: 0.639 (202/316) weighted: 0.256 (1.03e+05/4.04e+05) <3: 0 (0/14) <3w: 0 (0/3.35e+04) Model 7 Missing interactions: 0.602 (177/294) weighted: 0.174 (7.28e+04/4.18e+05) <3: 0 (0/13) <3w: 0 (0/3.34e+04) Model 8 Missing interactions: 0.596 (171/287) weighted: 0.19 (7.25e+04/3.8e+05) <3: 0 (0/13) <3w: 0 (0/3.34e+04) Model 9 Missing interactions: 0.625 (195/312) weighted: 0.216 (9.34e+04/4.32e+05) <3: 0 (0/13) <3w: 0 (0/3.36e+04) Model 10 Missing interactions: 0.641 (196/306) weighted: 0.213 (9.17e+04/4.3e+05) <3: 0 (0/13) <3w: 0 (0/3.35e+04) Model 11 Missing interactions: 0.593 (169/285) weighted: 0.181 (7.15e+04/3.94e+05) <3: 0 (0/13) <3w: 0 (0/3.34e+04) Model 12 Missing interactions: 0.621 (187/301) weighted: 0.258 (1.23e+05/4.76e+05) <3: 0 (0/13) <3w: 0 (0/3.36e+04) Model 13 Missing interactions: 0.622 (184/296) weighted: 0.195 (7.44e+04/3.82e+05) <3: 0 (0/13) <3w: 0 (0/3.44e+04) Model 14 Missing interactions: 0.607 (176/290) weighted: 0.196 (7.91e+04/4.03e+05) <3: 0 (0/13) <3w: 0 (0/3.38e+04) Model 15 Missing interactions: 0.61 (175/287) weighted: 0.213 (9.62e+04/4.51e+05) <3: 0 (0/13) <3w: 0 (0/3.34e+04) Model 16 Missing interactions: 0.634 (192/303) weighted: 0.207 (9.17e+04/4.42e+05) <3: 0 (0/13) <3w: 0 (0/3.34e+04) Model 17 Missing interactions: 0.613 (182/297) weighted: 0.213 (9.28e+04/4.35e+05) <3: 0 (0/13) <3w: 0 (0/3.35e+04) Model 18 Missing interactions: 0.625 (185/296) weighted: 0.192 (8.06e+04/4.19e+05) <3: 0 (0/13) <3w: 0 (0/3.34e+04) Model 19 Missing interactions: 0.637 (205/322) weighted: 0.338 (1.7e+05/5.03e+05) <3: 0.0714 (1/14) <3w: 0.00197 (66.4/3.37e+04) Model 20 Missing interactions: 0.599 (175/292) weighted: 0.156 (6.19e+04/3.96e+05) <3: 0 (0/13) <3w: 0 (0/3.35e+04) Model ave Recall: 0.95 Precision: all: 0.389 allw: 0.812 <3: 0.929 <3w: 0.998 F-measure:(Recall,Precision) 0.552 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.999 Model 1 Recall: 0.98 Precision: all: 0.394 allw: 0.808 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.562 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.97 Precision: all: 0.356 allw: 0.753 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.521 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.96 Precision: all: 0.358 allw: 0.798 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.521 F-measure:(Recall,PrecisionW) 0.872 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.97 Precision: all: 0.394 allw: 0.8 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.56 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.98 Precision: all: 0.383 allw: 0.803 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.551 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.96 Precision: all: 0.361 allw: 0.744 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.524 F-measure:(Recall,PrecisionW) 0.838 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.97 Precision: all: 0.398 allw: 0.826 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.564 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.98 Precision: all: 0.404 allw: 0.81 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.572 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.97 Precision: all: 0.375 allw: 0.784 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.541 F-measure:(Recall,PrecisionW) 0.867 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.96 Precision: all: 0.359 allw: 0.787 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.523 F-measure:(Recall,PrecisionW) 0.865 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.97 Precision: all: 0.407 allw: 0.819 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.573 F-measure:(Recall,PrecisionW) 0.888 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.98 Precision: all: 0.379 allw: 0.742 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.546 F-measure:(Recall,PrecisionW) 0.845 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.97 Precision: all: 0.378 allw: 0.805 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.544 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.97 Precision: all: 0.393 allw: 0.804 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.559 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.98 Precision: all: 0.39 allw: 0.787 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.558 F-measure:(Recall,PrecisionW) 0.873 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.96 Precision: all: 0.366 allw: 0.793 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.53 F-measure:(Recall,PrecisionW) 0.868 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.97 Precision: all: 0.387 allw: 0.787 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.553 F-measure:(Recall,PrecisionW) 0.869 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.96 Precision: all: 0.375 allw: 0.808 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.539 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.98 Precision: all: 0.363 allw: 0.662 <3: 0.929 <3w: 0.998 F-measure:(Recall,Precision) 0.53 F-measure:(Recall,PrecisionW) 0.79 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.999 Model 20 Recall: 0.96 Precision: all: 0.401 allw: 0.844 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.565 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.58(58/100) Model ave Missing interactions: 0.393 (22/56) weighted: 0.262 (7.58e+03/2.89e+04) <3: 0.2 (3/15) <3w: 0.253 (5.88e+03/2.32e+04) Recall: 0.42 Precision: all: 0.607 allw: 0.738 F-measure:(RecallFree,PrecisionFree) 0.497 F-measure:(ReallFree,PrecisionFreeW) 0.535 # Summary for c_ali.peaks Total simulated peaks: 438 Number of peaks NOT matched in the Peak List: 86 M score = 0.2 Average shift in HX: -0.00017 Average ab-shift in HX: 0.00025(Assignment used: 198) Average shift in X: -0.0046 Average ab-shift in X: 0.0046(Assignment used: 156) Average shift in HX2: 0.00064 Average ab-shift in HX2: 0.003(Assignment used: 218) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.0242(27/1115) Model 1 Inconsistent score: 0.0197(22/1115) Model 2 Inconsistent score: 0.0233(26/1115) Model 3 Inconsistent score: 0.0242(27/1115) Model 4 Inconsistent score: 0.0242(27/1115) Model 5 Inconsistent score: 0.0215(24/1115) Model 6 Inconsistent score: 0.0242(27/1115) Model 7 Inconsistent score: 0.0206(23/1115) Model 8 Inconsistent score: 0.0242(27/1115) Model 9 Inconsistent score: 0.0251(28/1115) Model 10 Inconsistent score: 0.0269(30/1115) Model 11 Inconsistent score: 0.0215(24/1115) Model 12 Inconsistent score: 0.0224(25/1115) Model 13 Inconsistent score: 0.0251(28/1115) Model 14 Inconsistent score: 0.0224(25/1115) Model 15 Inconsistent score: 0.0215(24/1115) Model 16 Inconsistent score: 0.0215(24/1115) Model 17 Inconsistent score: 0.0206(23/1115) Model 18 Inconsistent score: 0.0242(27/1115) Model 19 Inconsistent score: 0.0278(31/1115) Model 20 Inconsistent score: 0.0215(24/1115) Model ave Missing interactions: 0.589 (1.57e+03/2666) weighted: 0.163 (1.25e+06/7.66e+06) <3: 0.134 (46/343) <3w: 0.0688 (2.68e+05/3.9e+06) Model 1 Missing interactions: 0.598 (1.68e+03/2806) weighted: 0.184 (1.57e+06/8.52e+06) <3: 0.133 (46/347) <3w: 0.075 (2.98e+05/3.97e+06) Model 2 Missing interactions: 0.601 (1.66e+03/2767) weighted: 0.183 (1.59e+06/8.66e+06) <3: 0.132 (46/348) <3w: 0.068 (2.72e+05/4e+06) Model 3 Missing interactions: 0.601 (1.67e+03/2782) weighted: 0.177 (1.49e+06/8.45e+06) <3: 0.132 (46/348) <3w: 0.0663 (2.6e+05/3.92e+06) Model 4 Missing interactions: 0.598 (1.63e+03/2724) weighted: 0.175 (1.48e+06/8.5e+06) <3: 0.131 (46/350) <3w: 0.065 (2.56e+05/3.95e+06) Model 5 Missing interactions: 0.609 (1.72e+03/2818) weighted: 0.173 (1.46e+06/8.46e+06) <3: 0.132 (46/348) <3w: 0.0647 (2.57e+05/3.97e+06) Model 6 Missing interactions: 0.599 (1.63e+03/2728) weighted: 0.178 (1.51e+06/8.45e+06) <3: 0.135 (46/341) <3w: 0.0666 (2.62e+05/3.94e+06) Model 7 Missing interactions: 0.598 (1.64e+03/2749) weighted: 0.182 (1.54e+06/8.44e+06) <3: 0.134 (46/343) <3w: 0.0695 (2.74e+05/3.94e+06) Model 8 Missing interactions: 0.6 (1.68e+03/2797) weighted: 0.182 (1.56e+06/8.59e+06) <3: 0.132 (46/348) <3w: 0.0652 (2.57e+05/3.94e+06) Model 9 Missing interactions: 0.606 (1.69e+03/2792) weighted: 0.18 (1.52e+06/8.43e+06) <3: 0.134 (46/343) <3w: 0.0692 (2.74e+05/3.96e+06) Model 10 Missing interactions: 0.602 (1.68e+03/2798) weighted: 0.179 (1.53e+06/8.51e+06) <3: 0.133 (46/345) <3w: 0.0674 (2.65e+05/3.93e+06) Model 11 Missing interactions: 0.604 (1.67e+03/2773) weighted: 0.178 (1.51e+06/8.46e+06) <3: 0.132 (46/348) <3w: 0.0668 (2.65e+05/3.96e+06) Model 12 Missing interactions: 0.602 (1.68e+03/2794) weighted: 0.183 (1.57e+06/8.57e+06) <3: 0.133 (46/345) <3w: 0.0672 (2.66e+05/3.96e+06) Model 13 Missing interactions: 0.599 (1.64e+03/2740) weighted: 0.173 (1.47e+06/8.49e+06) <3: 0.133 (46/346) <3w: 0.0681 (2.69e+05/3.95e+06) Model 14 Missing interactions: 0.599 (1.66e+03/2778) weighted: 0.175 (1.46e+06/8.38e+06) <3: 0.133 (46/346) <3w: 0.069 (2.74e+05/3.97e+06) Model 15 Missing interactions: 0.599 (1.66e+03/2763) weighted: 0.185 (1.57e+06/8.47e+06) <3: 0.133 (46/345) <3w: 0.0649 (2.55e+05/3.92e+06) Model 16 Missing interactions: 0.594 (1.61e+03/2712) weighted: 0.168 (1.42e+06/8.49e+06) <3: 0.133 (46/346) <3w: 0.068 (2.7e+05/3.97e+06) Model 17 Missing interactions: 0.6 (1.66e+03/2764) weighted: 0.186 (1.57e+06/8.46e+06) <3: 0.133 (46/346) <3w: 0.071 (2.78e+05/3.92e+06) Model 18 Missing interactions: 0.596 (1.64e+03/2744) weighted: 0.171 (1.43e+06/8.35e+06) <3: 0.133 (46/345) <3w: 0.0661 (2.6e+05/3.93e+06) Model 19 Missing interactions: 0.602 (1.65e+03/2745) weighted: 0.178 (1.51e+06/8.47e+06) <3: 0.134 (46/343) <3w: 0.0672 (2.67e+05/3.97e+06) Model 20 Missing interactions: 0.601 (1.68e+03/2797) weighted: 0.181 (1.51e+06/8.37e+06) <3: 0.132 (46/348) <3w: 0.0788 (3.09e+05/3.93e+06) Model ave Recall: 0.976 Precision: all: 0.411 allw: 0.837 <3: 0.866 <3w: 0.931 F-measure:(Recall,Precision) 0.578 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.964 Model 1 Recall: 0.98 Precision: all: 0.402 allw: 0.816 <3: 0.867 <3w: 0.925 F-measure:(Recall,Precision) 0.57 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.961 Model 2 Recall: 0.977 Precision: all: 0.399 allw: 0.817 <3: 0.868 <3w: 0.932 F-measure:(Recall,Precision) 0.567 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.965 Model 3 Recall: 0.976 Precision: all: 0.399 allw: 0.823 <3: 0.868 <3w: 0.934 F-measure:(Recall,Precision) 0.567 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.966 Model 4 Recall: 0.976 Precision: all: 0.402 allw: 0.825 <3: 0.869 <3w: 0.935 F-measure:(Recall,Precision) 0.569 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.93 F-measure:(0,PrecisionIdealW) 0.966 Model 5 Recall: 0.978 Precision: all: 0.391 allw: 0.827 <3: 0.868 <3w: 0.935 F-measure:(Recall,Precision) 0.559 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.967 Model 6 Recall: 0.976 Precision: all: 0.401 allw: 0.822 <3: 0.865 <3w: 0.933 F-measure:(Recall,Precision) 0.568 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.966 Model 7 Recall: 0.979 Precision: all: 0.402 allw: 0.818 <3: 0.866 <3w: 0.931 F-measure:(Recall,Precision) 0.57 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.964 Model 8 Recall: 0.976 Precision: all: 0.4 allw: 0.818 <3: 0.868 <3w: 0.935 F-measure:(Recall,Precision) 0.567 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.966 Model 9 Recall: 0.975 Precision: all: 0.394 allw: 0.82 <3: 0.866 <3w: 0.931 F-measure:(Recall,Precision) 0.561 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.964 Model 10 Recall: 0.973 Precision: all: 0.398 allw: 0.821 <3: 0.867 <3w: 0.933 F-measure:(Recall,Precision) 0.565 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.965 Model 11 Recall: 0.978 Precision: all: 0.396 allw: 0.822 <3: 0.868 <3w: 0.933 F-measure:(Recall,Precision) 0.564 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.965 Model 12 Recall: 0.978 Precision: all: 0.398 allw: 0.817 <3: 0.867 <3w: 0.933 F-measure:(Recall,Precision) 0.565 F-measure:(Recall,PrecisionW) 0.89 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.965 Model 13 Recall: 0.975 Precision: all: 0.401 allw: 0.827 <3: 0.867 <3w: 0.932 F-measure:(Recall,Precision) 0.568 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.965 Model 14 Recall: 0.978 Precision: all: 0.401 allw: 0.825 <3: 0.867 <3w: 0.931 F-measure:(Recall,Precision) 0.569 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.964 Model 15 Recall: 0.978 Precision: all: 0.401 allw: 0.815 <3: 0.867 <3w: 0.935 F-measure:(Recall,Precision) 0.569 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.966 Model 16 Recall: 0.978 Precision: all: 0.406 allw: 0.832 <3: 0.867 <3w: 0.932 F-measure:(Recall,Precision) 0.573 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.965 Model 17 Recall: 0.979 Precision: all: 0.4 allw: 0.814 <3: 0.867 <3w: 0.929 F-measure:(Recall,Precision) 0.568 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.963 Model 18 Recall: 0.976 Precision: all: 0.404 allw: 0.829 <3: 0.867 <3w: 0.934 F-measure:(Recall,Precision) 0.571 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.966 Model 19 Recall: 0.972 Precision: all: 0.398 allw: 0.822 <3: 0.866 <3w: 0.933 F-measure:(Recall,Precision) 0.565 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.965 Model 20 Recall: 0.978 Precision: all: 0.399 allw: 0.819 <3: 0.868 <3w: 0.921 F-measure:(Recall,Precision) 0.566 F-measure:(Recall,PrecisionW) 0.892 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.959 For freely-rotating-chain model: Model ave Inconsistent score: 0.304(339/1115) Model ave Missing interactions: 0.46 (498/1082) weighted: 0.185 (1.59e+05/8.6e+05) <3: 0.136 (46/337) <3w: 0.111 (7.15e+04/6.46e+05) Recall: 0.696 Precision: all: 0.54 allw: 0.815 F-measure:(RecallFree,PrecisionFree) 0.608 F-measure:(ReallFree,PrecisionFreeW) 0.751 Final M-score 0.173 95/548 Model ave Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.855 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.936 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.91 F-score of ideal true structures: 0.967 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.732 Model 1 Final Recall-score for input query structures: 0.976 Final Precision-score for input query structures: 0.833 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.93 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.964 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.69 Model 2 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.834 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.939 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.898 F-score of ideal true structures: 0.968 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.673 Model 3 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.841 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.94 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.902 F-score of ideal true structures: 0.969 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.688 Model 4 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.941 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.903 F-score of ideal true structures: 0.97 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.69 Model 5 Final Recall-score for input query structures: 0.976 Final Precision-score for input query structures: 0.842 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.941 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.97 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.694 Model 6 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.835 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.939 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.969 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.674 Model 7 Final Recall-score for input query structures: 0.975 Final Precision-score for input query structures: 0.837 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.937 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.968 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.687 Model 8 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.941 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.969 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.684 Model 9 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.838 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.937 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.968 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.682 Model 10 Final Recall-score for input query structures: 0.971 Final Precision-score for input query structures: 0.839 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.939 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.9 F-score of ideal true structures: 0.968 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.682 Model 11 Final Recall-score for input query structures: 0.975 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.939 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.969 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.698 Model 12 Final Recall-score for input query structures: 0.975 Final Precision-score for input query structures: 0.834 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.939 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.968 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.678 Model 13 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.845 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.936 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.967 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.704 Model 14 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.844 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.935 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.967 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.704 Model 15 Final Recall-score for input query structures: 0.976 Final Precision-score for input query structures: 0.833 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.941 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.969 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.674 Model 16 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.847 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.938 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.906 F-score of ideal true structures: 0.968 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.71 Model 17 Final Recall-score for input query structures: 0.976 Final Precision-score for input query structures: 0.831 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.935 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.897 F-score of ideal true structures: 0.967 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.671 Model 18 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.847 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.939 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.905 F-score of ideal true structures: 0.969 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.702 Model 19 Final Recall-score for input query structures: 0.972 Final Precision-score for input query structures: 0.833 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.939 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.897 F-score of ideal true structures: 0.969 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.665 Model 20 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.924 Final Recall-score for freely-rotating-chain model: 0.696 Final Precision-score for freely-rotating-chain model: 0.823 Summary: F-score of input query structures: 0.904 F-score of ideal true structures: 0.961 F-score of freely-rotating-chain model: 0.754 DP-Score: 0.725 Statistics: =========== NOESY_Assign: User CPU Time: 11.8 sec. Syst CPU Time: 0.24 sec. Other Processes: User CPU Time: 0.21 sec. Syst CPU Time: 0.02 sec. Total Elapsed Time: 12.3 sec.