# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 04:01:40 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/GMR137_R3_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q GMR137_R3_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 115 Number of peaks NOT matched in the Peak List: 11 M score = 0.096 Average shift in HX: 0.0013 Average ab-shift in HX: 0.0018(Assignment used: 76) Average shift in X: 0.0076 Average ab-shift in X: 0.035(Assignment used: 72) Average shift in HX2: 0.00047 Average ab-shift in HX2: 0.0062(Assignment used: 96) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0422(34/806) Model 1 Inconsistent score: 0.0236(19/806) Model 2 Inconsistent score: 0.0335(27/806) Model 3 Inconsistent score: 0.0459(37/806) Model 4 Inconsistent score: 0.0298(24/806) Model 5 Inconsistent score: 0.0459(37/806) Model 6 Inconsistent score: 0.0261(21/806) Model 7 Inconsistent score: 0.0397(32/806) Model 8 Inconsistent score: 0.0273(22/806) Model 9 Inconsistent score: 0.0273(22/806) Model 10 Inconsistent score: 0.0434(35/806) Model 11 Inconsistent score: 0.0236(19/806) Model 12 Inconsistent score: 0.0323(26/806) Model 13 Inconsistent score: 0.0261(21/806) Model 14 Inconsistent score: 0.0372(30/806) Model 15 Inconsistent score: 0.0136(11/806) Model 16 Inconsistent score: 0.0385(31/806) Model 17 Inconsistent score: 0.0385(31/806) Model 18 Inconsistent score: 0.0385(31/806) Model 19 Inconsistent score: 0.0323(26/806) Model 20 Inconsistent score: 0.0273(22/806) Model ave Missing interactions: 0.233 (228/978) weighted: 0.0461 (1.16e+05/2.52e+06) <3: 0.0588 (7/119) <3w: 0.039 (2.65e+04/6.8e+05) Model 1 Missing interactions: 0.314 (362/1153) weighted: 0.113 (3.94e+05/3.48e+06) <3: 0.0551 (7/127) <3w: 0.0339 (2.36e+04/6.97e+05) Model 2 Missing interactions: 0.279 (297/1066) weighted: 0.0606 (1.94e+05/3.2e+06) <3: 0.0569 (7/123) <3w: 0.0312 (2.2e+04/7.03e+05) Model 3 Missing interactions: 0.281 (303/1078) weighted: 0.0711 (2.29e+05/3.22e+06) <3: 0.0556 (7/126) <3w: 0.0302 (2.23e+04/7.39e+05) Model 4 Missing interactions: 0.284 (311/1096) weighted: 0.0691 (2.21e+05/3.19e+06) <3: 0.0551 (7/127) <3w: 0.0321 (2.23e+04/6.95e+05) Model 5 Missing interactions: 0.281 (302/1075) weighted: 0.0718 (2.21e+05/3.08e+06) <3: 0.0569 (7/123) <3w: 0.0332 (2.33e+04/7.03e+05) Model 6 Missing interactions: 0.285 (312/1094) weighted: 0.0657 (2.08e+05/3.17e+06) <3: 0.0547 (7/128) <3w: 0.034 (2.36e+04/6.93e+05) Model 7 Missing interactions: 0.279 (299/1072) weighted: 0.0701 (2.15e+05/3.07e+06) <3: 0.056 (7/125) <3w: 0.0322 (2.31e+04/7.16e+05) Model 8 Missing interactions: 0.284 (313/1102) weighted: 0.0723 (2.27e+05/3.14e+06) <3: 0.0551 (7/127) <3w: 0.0338 (2.3e+04/6.81e+05) Model 9 Missing interactions: 0.278 (294/1058) weighted: 0.0564 (1.75e+05/3.11e+06) <3: 0.0569 (7/123) <3w: 0.0339 (2.31e+04/6.82e+05) Model 10 Missing interactions: 0.294 (315/1073) weighted: 0.0792 (2.58e+05/3.25e+06) <3: 0.0565 (7/124) <3w: 0.0331 (2.3e+04/6.94e+05) Model 11 Missing interactions: 0.301 (342/1137) weighted: 0.101 (3.46e+05/3.43e+06) <3: 0.0556 (7/126) <3w: 0.0484 (3.41e+04/7.03e+05) Model 12 Missing interactions: 0.277 (298/1075) weighted: 0.0628 (1.99e+05/3.18e+06) <3: 0.0551 (7/127) <3w: 0.0486 (3.39e+04/6.98e+05) Model 13 Missing interactions: 0.262 (273/1043) weighted: 0.0482 (1.46e+05/3.02e+06) <3: 0.0569 (7/123) <3w: 0.0316 (2.25e+04/7.13e+05) Model 14 Missing interactions: 0.289 (309/1071) weighted: 0.107 (3.45e+05/3.24e+06) <3: 0.0547 (7/128) <3w: 0.0454 (3.35e+04/7.37e+05) Model 15 Missing interactions: 0.282 (306/1087) weighted: 0.0568 (1.79e+05/3.16e+06) <3: 0.0551 (7/127) <3w: 0.0322 (2.25e+04/7e+05) Model 16 Missing interactions: 0.286 (311/1088) weighted: 0.0667 (2.13e+05/3.2e+06) <3: 0.0556 (7/126) <3w: 0.0322 (2.25e+04/6.99e+05) Model 17 Missing interactions: 0.281 (305/1084) weighted: 0.0688 (2.15e+05/3.12e+06) <3: 0.0565 (7/124) <3w: 0.0315 (2.18e+04/6.91e+05) Model 18 Missing interactions: 0.28 (296/1059) weighted: 0.0803 (2.63e+05/3.28e+06) <3: 0.056 (7/125) <3w: 0.0322 (2.32e+04/7.2e+05) Model 19 Missing interactions: 0.287 (310/1079) weighted: 0.0658 (2.01e+05/3.06e+06) <3: 0.0579 (7/121) <3w: 0.0327 (2.29e+04/7e+05) Model 20 Missing interactions: 0.301 (331/1099) weighted: 0.0777 (2.43e+05/3.13e+06) <3: 0.056 (7/125) <3w: 0.0319 (2.28e+04/7.16e+05) Model ave Recall: 0.958 Precision: all: 0.767 allw: 0.954 <3: 0.941 <3w: 0.961 F-measure:(Recall,Precision) 0.852 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.97 F-measure:(0,PrecisionIdealW) 0.98 Model 1 Recall: 0.976 Precision: all: 0.686 allw: 0.887 <3: 0.945 <3w: 0.966 F-measure:(Recall,Precision) 0.806 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.983 Model 2 Recall: 0.967 Precision: all: 0.721 allw: 0.939 <3: 0.943 <3w: 0.969 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 3 Recall: 0.954 Precision: all: 0.719 allw: 0.929 <3: 0.944 <3w: 0.97 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.985 Model 4 Recall: 0.97 Precision: all: 0.716 allw: 0.931 <3: 0.945 <3w: 0.968 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.984 Model 5 Recall: 0.954 Precision: all: 0.719 allw: 0.928 <3: 0.943 <3w: 0.967 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.983 Model 6 Recall: 0.974 Precision: all: 0.715 allw: 0.934 <3: 0.945 <3w: 0.966 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.983 Model 7 Recall: 0.96 Precision: all: 0.721 allw: 0.93 <3: 0.944 <3w: 0.968 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 8 Recall: 0.973 Precision: all: 0.716 allw: 0.928 <3: 0.945 <3w: 0.966 F-measure:(Recall,Precision) 0.825 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.983 Model 9 Recall: 0.973 Precision: all: 0.722 allw: 0.944 <3: 0.943 <3w: 0.966 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.983 Model 10 Recall: 0.957 Precision: all: 0.706 allw: 0.921 <3: 0.944 <3w: 0.967 F-measure:(Recall,Precision) 0.813 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.983 Model 11 Recall: 0.976 Precision: all: 0.699 allw: 0.899 <3: 0.944 <3w: 0.952 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.936 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.975 Model 12 Recall: 0.968 Precision: all: 0.723 allw: 0.937 <3: 0.945 <3w: 0.951 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.952 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.975 Model 13 Recall: 0.974 Precision: all: 0.738 allw: 0.952 <3: 0.943 <3w: 0.968 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 14 Recall: 0.963 Precision: all: 0.711 allw: 0.893 <3: 0.945 <3w: 0.955 F-measure:(Recall,Precision) 0.818 F-measure:(Recall,PrecisionW) 0.927 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.977 Model 15 Recall: 0.986 Precision: all: 0.718 allw: 0.943 <3: 0.945 <3w: 0.968 F-measure:(Recall,Precision) 0.831 F-measure:(Recall,PrecisionW) 0.964 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.984 Model 16 Recall: 0.962 Precision: all: 0.714 allw: 0.933 <3: 0.944 <3w: 0.968 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 17 Recall: 0.962 Precision: all: 0.719 allw: 0.931 <3: 0.944 <3w: 0.969 F-measure:(Recall,Precision) 0.823 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 18 Recall: 0.962 Precision: all: 0.72 allw: 0.92 <3: 0.944 <3w: 0.968 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 19 Recall: 0.968 Precision: all: 0.713 allw: 0.934 <3: 0.942 <3w: 0.967 F-measure:(Recall,Precision) 0.821 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.97 F-measure:(0,PrecisionIdealW) 0.983 Model 20 Recall: 0.973 Precision: all: 0.699 allw: 0.922 <3: 0.944 <3w: 0.968 F-measure:(Recall,Precision) 0.813 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 For freely-rotating-chain model: Model ave Inconsistent score: 0.359(289/806) Model ave Missing interactions: 0.17 (93/547) weighted: 0.0942 (3.01e+04/3.2e+05) <3: 0.0631 (7/111) <3w: 0.0752 (1.3e+04/1.73e+05) Recall: 0.641 Precision: all: 0.83 allw: 0.906 F-measure:(RecallFree,PrecisionFree) 0.724 F-measure:(ReallFree,PrecisionFreeW) 0.751 # Summary for c_aro.peaks Total simulated peaks: 10 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: 0.0014 Average ab-shift in HX: 0.0019(Assignment used: 4) Average shift in X: 0.039 Average ab-shift in X: 0.039(Assignment used: 4) Average shift in HX2: -0.0012 Average ab-shift in HX2: 0.0042(Assignment used: 6) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.138(12/87) Model 1 Inconsistent score: 0.046(4/87) Model 2 Inconsistent score: 0.069(6/87) Model 3 Inconsistent score: 0.0345(3/87) Model 4 Inconsistent score: 0.0575(5/87) Model 5 Inconsistent score: 0.0115(1/87) Model 6 Inconsistent score: 0.0575(5/87) Model 7 Inconsistent score: 0.046(4/87) Model 8 Inconsistent score: 0.0575(5/87) Model 9 Inconsistent score: 0.0575(5/87) Model 10 Inconsistent score: 0.046(4/87) Model 11 Inconsistent score: 0.0345(3/87) Model 12 Inconsistent score: 0.0345(3/87) Model 13 Inconsistent score: 0.023(2/87) Model 14 Inconsistent score: 0.092(8/87) Model 15 Inconsistent score: 0.069(6/87) Model 16 Inconsistent score: 0.0115(1/87) Model 17 Inconsistent score: 0.046(4/87) Model 18 Inconsistent score: 0.0115(1/87) Model 19 Inconsistent score: 0.046(4/87) Model 20 Inconsistent score: 0.046(4/87) Model ave Missing interactions: 0.326 (42/129) weighted: 0.105 (1.06e+04/1.01e+05) <3: 0 (0/1) <3w: 0 (0/1.41e+03) Model 1 Missing interactions: 0.442 (84/190) weighted: 0.288 (8.5e+04/2.96e+05) <3: 0 (0/2) <3w: 0 (0/1.28e+03) Model 2 Missing interactions: 0.409 (72/176) weighted: 0.272 (8.6e+04/3.16e+05) <3: 0 (0/2) <3w: 0 (0/990) Model 3 Missing interactions: 0.425 (79/186) weighted: 0.271 (8.61e+04/3.18e+05) <3: 0 (0/2) <3w: 0 (0/2.46e+03) Model 4 Missing interactions: 0.416 (82/197) weighted: 0.231 (6.51e+04/2.82e+05) <3: 0 (0/2) <3w: 0 (0/5.05e+03) Model 5 Missing interactions: 0.393 (79/201) weighted: 0.233 (6.52e+04/2.8e+05) <3: 0 (0/2) <3w: 0 (0/5.34e+03) Model 6 Missing interactions: 0.465 (86/185) weighted: 0.314 (9.13e+04/2.9e+05) <3: 0 (0/2) <3w: 0 (0/1.44e+03) Model 7 Missing interactions: 0.47 (93/198) weighted: 0.332 (9.43e+04/2.84e+05) <3: 0 (0/3) <3w: 0 (0/2.65e+03) Model 8 Missing interactions: 0.42 (74/176) weighted: 0.142 (3.21e+04/2.26e+05) <3: 0 (0/3) <3w: 0 (0/2.19e+03) Model 9 Missing interactions: 0.439 (79/180) weighted: 0.224 (6.76e+04/3.03e+05) <3: 0 (0/1) <3w: 0 (0/1.65e+03) Model 10 Missing interactions: 0.44 (81/184) weighted: 0.232 (7.1e+04/3.07e+05) <3: 0 (0/2) <3w: 0 (0/1.3e+03) Model 11 Missing interactions: 0.404 (76/188) weighted: 0.262 (8.69e+04/3.32e+05) <3: 0 (0/2) <3w: 0 (0/1.41e+03) Model 12 Missing interactions: 0.434 (82/189) weighted: 0.271 (7.3e+04/2.7e+05) <3: 0 (0/2) <3w: 0 (0/1.75e+03) Model 13 Missing interactions: 0.44 (81/184) weighted: 0.253 (6.91e+04/2.72e+05) <3: 0 (0/1) <3w: 0 (0/1.04e+03) Model 14 Missing interactions: 0.462 (86/186) weighted: 0.279 (8.37e+04/3e+05) <3: 0 (0/1) <3w: 0 (0/985) Model 15 Missing interactions: 0.512 (110/215) weighted: 0.337 (1.22e+05/3.64e+05) <3: 0 (0/3) <3w: 0 (0/4.02e+03) Model 16 Missing interactions: 0.423 (85/201) weighted: 0.27 (8.06e+04/2.99e+05) <3: 0 (0/2) <3w: 0 (0/881) Model 17 Missing interactions: 0.416 (77/185) weighted: 0.176 (5.04e+04/2.87e+05) <3: 0 (0/1) <3w: 0 (0/931) Model 18 Missing interactions: 0.391 (72/184) weighted: 0.235 (6.16e+04/2.62e+05) <3: 0 (0/2) <3w: 0 (0/3.93e+03) Model 19 Missing interactions: 0.459 (90/196) weighted: 0.248 (6.61e+04/2.67e+05) <3: 0 (0/2) <3w: 0 (0/2.14e+03) Model 20 Missing interactions: 0.474 (110/232) weighted: 0.284 (1.1e+05/3.89e+05) <3: 0 (0/3) <3w: 0 (0/2.4e+03) Model ave Recall: 0.862 Precision: all: 0.674 allw: 0.895 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.757 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.954 Precision: all: 0.558 allw: 0.712 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.704 F-measure:(Recall,PrecisionW) 0.816 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.931 Precision: all: 0.591 allw: 0.728 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.723 F-measure:(Recall,PrecisionW) 0.817 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.966 Precision: all: 0.575 allw: 0.729 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.721 F-measure:(Recall,PrecisionW) 0.831 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.943 Precision: all: 0.584 allw: 0.769 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.721 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.989 Precision: all: 0.607 allw: 0.767 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.752 F-measure:(Recall,PrecisionW) 0.864 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.943 Precision: all: 0.535 allw: 0.686 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.683 F-measure:(Recall,PrecisionW) 0.794 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.954 Precision: all: 0.53 allw: 0.668 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.682 F-measure:(Recall,PrecisionW) 0.786 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.943 Precision: all: 0.58 allw: 0.858 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.718 F-measure:(Recall,PrecisionW) 0.898 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.943 Precision: all: 0.561 allw: 0.776 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.703 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.954 Precision: all: 0.56 allw: 0.768 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.706 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.966 Precision: all: 0.596 allw: 0.738 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.737 F-measure:(Recall,PrecisionW) 0.837 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.966 Precision: all: 0.566 allw: 0.729 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.714 F-measure:(Recall,PrecisionW) 0.831 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.977 Precision: all: 0.56 allw: 0.747 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.712 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.908 Precision: all: 0.538 allw: 0.721 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.675 F-measure:(Recall,PrecisionW) 0.804 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.931 Precision: all: 0.488 allw: 0.663 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.641 F-measure:(Recall,PrecisionW) 0.775 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.989 Precision: all: 0.577 allw: 0.73 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.729 F-measure:(Recall,PrecisionW) 0.84 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.954 Precision: all: 0.584 allw: 0.824 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.724 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.989 Precision: all: 0.609 allw: 0.765 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.753 F-measure:(Recall,PrecisionW) 0.862 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.954 Precision: all: 0.541 allw: 0.752 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.69 F-measure:(Recall,PrecisionW) 0.841 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.954 Precision: all: 0.526 allw: 0.716 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.678 F-measure:(Recall,PrecisionW) 0.818 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.644(56/87) Model ave Missing interactions: 0.259 (7/27) weighted: 0.169 (664/3.92e+03) <3: nan (0/0) <3w: nan (0/0) Recall: 0.356 Precision: all: 0.741 allw: 0.831 F-measure:(RecallFree,PrecisionFree) 0.481 F-measure:(ReallFree,PrecisionFreeW) 0.499 # Summary for c_ali.peaks Total simulated peaks: 466 Number of peaks NOT matched in the Peak List: 48 M score = 0.1 Average shift in HX: 0.0007 Average ab-shift in HX: 0.0022(Assignment used: 238) Average shift in X: 0.0031 Average ab-shift in X: 0.024(Assignment used: 194) Average shift in HX2: -0.0015 Average ab-shift in HX2: 0.0071(Assignment used: 269) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.0162(26/1601) Model 1 Inconsistent score: 0.0144(23/1601) Model 2 Inconsistent score: 0.0219(35/1601) Model 3 Inconsistent score: 0.0256(41/1601) Model 4 Inconsistent score: 0.0219(35/1601) Model 5 Inconsistent score: 0.0219(35/1601) Model 6 Inconsistent score: 0.0175(28/1601) Model 7 Inconsistent score: 0.0187(30/1601) Model 8 Inconsistent score: 0.00812(13/1601) Model 9 Inconsistent score: 0.0137(22/1601) Model 10 Inconsistent score: 0.0275(44/1601) Model 11 Inconsistent score: 0.0144(23/1601) Model 12 Inconsistent score: 0.0144(23/1601) Model 13 Inconsistent score: 0.0125(20/1601) Model 14 Inconsistent score: 0.0144(23/1601) Model 15 Inconsistent score: 0.0194(31/1601) Model 16 Inconsistent score: 0.0187(30/1601) Model 17 Inconsistent score: 0.0175(28/1601) Model 18 Inconsistent score: 0.0156(25/1601) Model 19 Inconsistent score: 0.0175(28/1601) Model 20 Inconsistent score: 0.0219(35/1601) Model ave Missing interactions: 0.468 (1.19e+03/2549) weighted: 0.0815 (5.65e+05/6.93e+06) <3: 0.0324 (12/370) <3w: 0.019 (7.5e+04/3.95e+06) Model 1 Missing interactions: 0.537 (1.68e+03/3117) weighted: 0.184 (1.74e+06/9.48e+06) <3: 0.0317 (12/379) <3w: 0.0167 (6.88e+04/4.13e+06) Model 2 Missing interactions: 0.519 (1.52e+03/2936) weighted: 0.163 (1.51e+06/9.26e+06) <3: 0.0322 (12/373) <3w: 0.0163 (6.66e+04/4.09e+06) Model 3 Missing interactions: 0.53 (1.63e+03/3070) weighted: 0.183 (1.72e+06/9.39e+06) <3: 0.0316 (12/380) <3w: 0.0198 (8.06e+04/4.07e+06) Model 4 Missing interactions: 0.517 (1.52e+03/2947) weighted: 0.151 (1.38e+06/9.16e+06) <3: 0.032 (12/375) <3w: 0.0166 (6.8e+04/4.11e+06) Model 5 Missing interactions: 0.527 (1.59e+03/3022) weighted: 0.16 (1.43e+06/8.98e+06) <3: 0.0322 (12/373) <3w: 0.0178 (7.13e+04/4.01e+06) Model 6 Missing interactions: 0.523 (1.58e+03/3021) weighted: 0.16 (1.44e+06/9.01e+06) <3: 0.0319 (12/376) <3w: 0.017 (6.87e+04/4.03e+06) Model 7 Missing interactions: 0.526 (1.6e+03/3034) weighted: 0.163 (1.48e+06/9.09e+06) <3: 0.0321 (12/374) <3w: 0.0168 (6.96e+04/4.15e+06) Model 8 Missing interactions: 0.519 (1.53e+03/2950) weighted: 0.131 (1.17e+06/8.92e+06) <3: 0.0323 (12/372) <3w: 0.0176 (7.2e+04/4.08e+06) Model 9 Missing interactions: 0.509 (1.48e+03/2900) weighted: 0.129 (1.14e+06/8.84e+06) <3: 0.0321 (12/374) <3w: 0.0176 (7.18e+04/4.07e+06) Model 10 Missing interactions: 0.536 (1.65e+03/3073) weighted: 0.186 (1.75e+06/9.41e+06) <3: 0.0319 (12/376) <3w: 0.0173 (7.13e+04/4.12e+06) Model 11 Missing interactions: 0.532 (1.66e+03/3113) weighted: 0.173 (1.66e+06/9.61e+06) <3: 0.0321 (12/374) <3w: 0.0171 (7.06e+04/4.14e+06) Model 12 Missing interactions: 0.514 (1.51e+03/2938) weighted: 0.139 (1.25e+06/9e+06) <3: 0.032 (12/375) <3w: 0.0188 (7.78e+04/4.13e+06) Model 13 Missing interactions: 0.511 (1.51e+03/2965) weighted: 0.124 (1.11e+06/8.9e+06) <3: 0.0321 (12/374) <3w: 0.0173 (7.11e+04/4.12e+06) Model 14 Missing interactions: 0.522 (1.58e+03/3027) weighted: 0.158 (1.49e+06/9.4e+06) <3: 0.0317 (12/379) <3w: 0.0175 (7.22e+04/4.13e+06) Model 15 Missing interactions: 0.517 (1.51e+03/2918) weighted: 0.141 (1.23e+06/8.74e+06) <3: 0.0319 (12/376) <3w: 0.0177 (7.21e+04/4.07e+06) Model 16 Missing interactions: 0.52 (1.57e+03/3013) weighted: 0.143 (1.3e+06/9.13e+06) <3: 0.0321 (12/374) <3w: 0.017 (7.04e+04/4.14e+06) Model 17 Missing interactions: 0.515 (1.56e+03/3031) weighted: 0.153 (1.41e+06/9.24e+06) <3: 0.032 (12/375) <3w: 0.0165 (6.75e+04/4.1e+06) Model 18 Missing interactions: 0.518 (1.54e+03/2973) weighted: 0.149 (1.35e+06/9.06e+06) <3: 0.0322 (12/373) <3w: 0.0172 (7.1e+04/4.12e+06) Model 19 Missing interactions: 0.525 (1.62e+03/3081) weighted: 0.155 (1.41e+06/9.11e+06) <3: 0.032 (12/375) <3w: 0.0174 (7.2e+04/4.14e+06) Model 20 Missing interactions: 0.525 (1.56e+03/2973) weighted: 0.156 (1.42e+06/9.1e+06) <3: 0.0324 (12/370) <3w: 0.0175 (7.14e+04/4.08e+06) Model ave Recall: 0.984 Precision: all: 0.532 allw: 0.918 <3: 0.968 <3w: 0.981 F-measure:(Recall,Precision) 0.691 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.99 Model 1 Recall: 0.986 Precision: all: 0.463 allw: 0.816 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 2 Recall: 0.978 Precision: all: 0.481 allw: 0.837 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 3 Recall: 0.974 Precision: all: 0.47 allw: 0.817 <3: 0.968 <3w: 0.98 F-measure:(Recall,Precision) 0.634 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.99 Model 4 Recall: 0.978 Precision: all: 0.483 allw: 0.849 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.909 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 5 Recall: 0.978 Precision: all: 0.473 allw: 0.84 <3: 0.968 <3w: 0.982 F-measure:(Recall,Precision) 0.638 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 6 Recall: 0.983 Precision: all: 0.477 allw: 0.84 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.906 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 7 Recall: 0.981 Precision: all: 0.474 allw: 0.837 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.639 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 8 Recall: 0.992 Precision: all: 0.481 allw: 0.869 <3: 0.968 <3w: 0.982 F-measure:(Recall,Precision) 0.648 F-measure:(Recall,PrecisionW) 0.926 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 9 Recall: 0.986 Precision: all: 0.491 allw: 0.871 <3: 0.968 <3w: 0.982 F-measure:(Recall,Precision) 0.655 F-measure:(Recall,PrecisionW) 0.925 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 10 Recall: 0.973 Precision: all: 0.464 allw: 0.814 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 11 Recall: 0.986 Precision: all: 0.468 allw: 0.827 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.635 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 12 Recall: 0.986 Precision: all: 0.486 allw: 0.861 <3: 0.968 <3w: 0.981 F-measure:(Recall,Precision) 0.651 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 13 Recall: 0.988 Precision: all: 0.489 allw: 0.876 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.654 F-measure:(Recall,PrecisionW) 0.928 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 14 Recall: 0.986 Precision: all: 0.478 allw: 0.842 <3: 0.968 <3w: 0.982 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.908 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 15 Recall: 0.981 Precision: all: 0.483 allw: 0.859 <3: 0.968 <3w: 0.982 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.916 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 16 Recall: 0.981 Precision: all: 0.48 allw: 0.857 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.645 F-measure:(Recall,PrecisionW) 0.915 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 17 Recall: 0.983 Precision: all: 0.485 allw: 0.847 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.649 F-measure:(Recall,PrecisionW) 0.91 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 18 Recall: 0.984 Precision: all: 0.482 allw: 0.851 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 19 Recall: 0.983 Precision: all: 0.475 allw: 0.845 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.909 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 20 Recall: 0.978 Precision: all: 0.475 allw: 0.844 <3: 0.968 <3w: 0.982 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.906 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 For freely-rotating-chain model: Model ave Inconsistent score: 0.324(519/1601) Model ave Missing interactions: 0.341 (400/1174) weighted: 0.0995 (8.81e+04/8.85e+05) <3: 0.0336 (12/357) <3w: 0.028 (1.86e+04/6.63e+05) Recall: 0.676 Precision: all: 0.659 allw: 0.901 F-measure:(RecallFree,PrecisionFree) 0.667 F-measure:(ReallFree,PrecisionFreeW) 0.772 Final M-score 0.0998 59/591 Model ave Final Recall-score for input query structures: 0.971 Final Precision-score for input query structures: 0.928 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.978 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.949 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.827 Model 1 Final Recall-score for input query structures: 0.982 Final Precision-score for input query structures: 0.833 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.616 Model 2 Final Recall-score for input query structures: 0.973 Final Precision-score for input query structures: 0.86 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.913 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.665 Model 3 Final Recall-score for input query structures: 0.968 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.979 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.901 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.619 Model 4 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.868 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.918 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.687 Model 5 Final Recall-score for input query structures: 0.971 Final Precision-score for input query structures: 0.861 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.912 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.664 Model 6 Final Recall-score for input query structures: 0.978 Final Precision-score for input query structures: 0.86 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.915 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.677 Model 7 Final Recall-score for input query structures: 0.974 Final Precision-score for input query structures: 0.856 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.911 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.659 Model 8 Final Recall-score for input query structures: 0.984 Final Precision-score for input query structures: 0.884 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.931 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.746 Model 9 Final Recall-score for input query structures: 0.98 Final Precision-score for input query structures: 0.887 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.931 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.746 Model 10 Final Recall-score for input query structures: 0.967 Final Precision-score for input query structures: 0.84 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.899 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.608 Model 11 Final Recall-score for input query structures: 0.982 Final Precision-score for input query structures: 0.843 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.978 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.907 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.645 Model 12 Final Recall-score for input query structures: 0.979 Final Precision-score for input query structures: 0.878 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.977 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.926 F-score of ideal true structures: 0.988 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.73 Model 13 Final Recall-score for input query structures: 0.983 Final Precision-score for input query structures: 0.892 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.935 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.763 Model 14 Final Recall-score for input query structures: 0.976 Final Precision-score for input query structures: 0.852 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.978 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.91 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.658 Model 15 Final Recall-score for input query structures: 0.981 Final Precision-score for input query structures: 0.875 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.925 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.72 Model 16 Final Recall-score for input query structures: 0.975 Final Precision-score for input query structures: 0.873 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.921 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.703 Model 17 Final Recall-score for input query structures: 0.975 Final Precision-score for input query structures: 0.868 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.918 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.687 Model 18 Final Recall-score for input query structures: 0.977 Final Precision-score for input query structures: 0.867 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.919 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.694 Model 19 Final Recall-score for input query structures: 0.977 Final Precision-score for input query structures: 0.865 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.918 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.69 Model 20 Final Recall-score for input query structures: 0.976 Final Precision-score for input query structures: 0.859 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 Final Recall-score for freely-rotating-chain model: 0.654 Final Precision-score for freely-rotating-chain model: 0.902 Summary: F-score of input query structures: 0.914 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.672 Statistics: =========== NOESY_Assign: User CPU Time: 21.5 sec. Syst CPU Time: 0.36 sec. Other Processes: User CPU Time: 0.28 sec. Syst CPU Time: 0.03 sec. Total Elapsed Time: 22.3 sec.