# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 04:14:32 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/GMR137_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q GMR137_R3Cons_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: 0.0186(15/806) Model 1 Inconsistent score: 0.0236(19/806) Model 2 Inconsistent score: 0.0186(15/806) Model 3 Inconsistent score: 0.0174(14/806) Model 4 Inconsistent score: 0.0223(18/806) Model 5 Inconsistent score: 0.0236(19/806) Model 6 Inconsistent score: 0.0223(18/806) Model 7 Inconsistent score: 0.0236(19/806) Model 8 Inconsistent score: 0.0211(17/806) Model 9 Inconsistent score: 0.0223(18/806) Model 10 Inconsistent score: 0.0261(21/806) Model 11 Inconsistent score: 0.0236(19/806) Model 12 Inconsistent score: 0.0199(16/806) Model 13 Inconsistent score: 0.0112(9/806) Model 14 Inconsistent score: 0.0236(19/806) Model 15 Inconsistent score: 0.0161(13/806) Model 16 Inconsistent score: 0.0248(20/806) Model 17 Inconsistent score: 0.0149(12/806) Model 18 Inconsistent score: 0.0211(17/806) Model 19 Inconsistent score: 0.0161(13/806) Model 20 Inconsistent score: 0.0186(15/806) Model ave Missing interactions: 0.24 (247/1028) weighted: 0.0476 (1.25e+05/2.62e+06) <3: 0.056 (7/125) <3w: 0.0367 (2.55e+04/6.95e+05) Model 1 Missing interactions: 0.262 (276/1053) weighted: 0.0578 (1.82e+05/3.15e+06) <3: 0.0556 (7/126) <3w: 0.0311 (2.24e+04/7.21e+05) Model 2 Missing interactions: 0.282 (307/1089) weighted: 0.0654 (2.14e+05/3.27e+06) <3: 0.0565 (7/124) <3w: 0.0326 (2.28e+04/6.99e+05) Model 3 Missing interactions: 0.271 (294/1083) weighted: 0.0626 (1.97e+05/3.15e+06) <3: 0.0547 (7/128) <3w: 0.0307 (2.17e+04/7.07e+05) Model 4 Missing interactions: 0.282 (306/1085) weighted: 0.0596 (1.88e+05/3.15e+06) <3: 0.0556 (7/126) <3w: 0.032 (2.28e+04/7.12e+05) Model 5 Missing interactions: 0.275 (294/1071) weighted: 0.0657 (2.04e+05/3.1e+06) <3: 0.0556 (7/126) <3w: 0.0331 (2.37e+04/7.15e+05) Model 6 Missing interactions: 0.288 (317/1100) weighted: 0.0783 (2.51e+05/3.2e+06) <3: 0.0565 (7/124) <3w: 0.03 (2.17e+04/7.22e+05) Model 7 Missing interactions: 0.274 (291/1062) weighted: 0.0797 (2.49e+05/3.12e+06) <3: 0.0551 (7/127) <3w: 0.0317 (2.24e+04/7.07e+05) Model 8 Missing interactions: 0.284 (310/1092) weighted: 0.0703 (2.24e+05/3.18e+06) <3: 0.0556 (7/126) <3w: 0.0309 (2.16e+04/7.01e+05) Model 9 Missing interactions: 0.285 (313/1099) weighted: 0.0536 (1.73e+05/3.23e+06) <3: 0.0556 (7/126) <3w: 0.0474 (3.38e+04/7.13e+05) Model 10 Missing interactions: 0.272 (291/1070) weighted: 0.0546 (1.69e+05/3.09e+06) <3: 0.0569 (7/123) <3w: 0.0309 (2.19e+04/7.09e+05) Model 11 Missing interactions: 0.276 (296/1073) weighted: 0.0746 (2.33e+05/3.12e+06) <3: 0.0538 (7/130) <3w: 0.0291 (2.24e+04/7.71e+05) Model 12 Missing interactions: 0.255 (267/1047) weighted: 0.0603 (1.85e+05/3.07e+06) <3: 0.0556 (7/126) <3w: 0.0316 (2.21e+04/7.01e+05) Model 13 Missing interactions: 0.27 (292/1080) weighted: 0.0687 (2.21e+05/3.22e+06) <3: 0.056 (7/125) <3w: 0.0464 (3.41e+04/7.35e+05) Model 14 Missing interactions: 0.288 (317/1102) weighted: 0.0683 (2.16e+05/3.17e+06) <3: 0.0551 (7/127) <3w: 0.0312 (2.2e+04/7.06e+05) Model 15 Missing interactions: 0.284 (315/1110) weighted: 0.0619 (1.96e+05/3.17e+06) <3: 0.0547 (7/128) <3w: 0.0338 (2.26e+04/6.69e+05) Model 16 Missing interactions: 0.276 (295/1067) weighted: 0.0803 (2.55e+05/3.18e+06) <3: 0.0569 (7/123) <3w: 0.0287 (2.14e+04/7.47e+05) Model 17 Missing interactions: 0.285 (315/1105) weighted: 0.0588 (1.87e+05/3.17e+06) <3: 0.0574 (7/122) <3w: 0.0317 (2.26e+04/7.12e+05) Model 18 Missing interactions: 0.284 (311/1094) weighted: 0.0955 (3.27e+05/3.43e+06) <3: 0.056 (7/125) <3w: 0.0305 (2.24e+04/7.33e+05) Model 19 Missing interactions: 0.289 (322/1114) weighted: 0.0947 (3.14e+05/3.32e+06) <3: 0.0556 (7/126) <3w: 0.0464 (3.36e+04/7.22e+05) Model 20 Missing interactions: 0.298 (331/1110) weighted: 0.0855 (2.74e+05/3.21e+06) <3: 0.0574 (7/122) <3w: 0.0321 (2.3e+04/7.15e+05) Model ave Recall: 0.981 Precision: all: 0.76 allw: 0.952 <3: 0.944 <3w: 0.963 F-measure:(Recall,Precision) 0.856 F-measure:(Recall,PrecisionW) 0.967 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.981 Model 1 Recall: 0.976 Precision: all: 0.738 allw: 0.942 <3: 0.944 <3w: 0.969 F-measure:(Recall,Precision) 0.841 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 2 Recall: 0.981 Precision: all: 0.718 allw: 0.935 <3: 0.944 <3w: 0.967 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.983 Model 3 Recall: 0.983 Precision: all: 0.729 allw: 0.937 <3: 0.945 <3w: 0.969 F-measure:(Recall,Precision) 0.837 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.984 Model 4 Recall: 0.978 Precision: all: 0.718 allw: 0.94 <3: 0.944 <3w: 0.968 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 5 Recall: 0.976 Precision: all: 0.725 allw: 0.934 <3: 0.944 <3w: 0.967 F-measure:(Recall,Precision) 0.832 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.983 Model 6 Recall: 0.978 Precision: all: 0.712 allw: 0.922 <3: 0.944 <3w: 0.97 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.985 Model 7 Recall: 0.976 Precision: all: 0.726 allw: 0.92 <3: 0.945 <3w: 0.968 F-measure:(Recall,Precision) 0.833 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.984 Model 8 Recall: 0.979 Precision: all: 0.716 allw: 0.93 <3: 0.944 <3w: 0.969 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 9 Recall: 0.978 Precision: all: 0.715 allw: 0.946 <3: 0.944 <3w: 0.953 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.962 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.976 Model 10 Recall: 0.974 Precision: all: 0.728 allw: 0.945 <3: 0.943 <3w: 0.969 F-measure:(Recall,Precision) 0.833 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 11 Recall: 0.976 Precision: all: 0.724 allw: 0.925 <3: 0.946 <3w: 0.971 F-measure:(Recall,Precision) 0.832 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.985 Model 12 Recall: 0.98 Precision: all: 0.745 allw: 0.94 <3: 0.944 <3w: 0.968 F-measure:(Recall,Precision) 0.847 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 13 Recall: 0.989 Precision: all: 0.73 allw: 0.931 <3: 0.944 <3w: 0.954 F-measure:(Recall,Precision) 0.84 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.976 Model 14 Recall: 0.976 Precision: all: 0.712 allw: 0.932 <3: 0.945 <3w: 0.969 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.954 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.984 Model 15 Recall: 0.984 Precision: all: 0.716 allw: 0.938 <3: 0.945 <3w: 0.966 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.972 F-measure:(0,PrecisionIdealW) 0.983 Model 16 Recall: 0.975 Precision: all: 0.724 allw: 0.92 <3: 0.943 <3w: 0.971 F-measure:(Recall,Precision) 0.831 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.985 Model 17 Recall: 0.985 Precision: all: 0.715 allw: 0.941 <3: 0.943 <3w: 0.968 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.963 F-measure:(0,PrecisionIdeal) 0.97 F-measure:(0,PrecisionIdealW) 0.984 Model 18 Recall: 0.979 Precision: all: 0.716 allw: 0.905 <3: 0.944 <3w: 0.969 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.984 Model 19 Recall: 0.984 Precision: all: 0.711 allw: 0.905 <3: 0.944 <3w: 0.954 F-measure:(Recall,Precision) 0.825 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.971 F-measure:(0,PrecisionIdealW) 0.976 Model 20 Recall: 0.981 Precision: all: 0.702 allw: 0.915 <3: 0.943 <3w: 0.968 F-measure:(Recall,Precision) 0.818 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.97 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: 0.0345(3/87) Model 1 Inconsistent score: 0.046(4/87) Model 2 Inconsistent score: 0.023(2/87) Model 3 Inconsistent score: 0.046(4/87) Model 4 Inconsistent score: 0.046(4/87) Model 5 Inconsistent score: 0.0345(3/87) Model 6 Inconsistent score: 0.046(4/87) Model 7 Inconsistent score: 0(0/87) Model 8 Inconsistent score: 0.0575(5/87) Model 9 Inconsistent score: 0.0345(3/87) Model 10 Inconsistent score: 0.069(6/87) Model 11 Inconsistent score: 0.0115(1/87) Model 12 Inconsistent score: 0.0345(3/87) Model 13 Inconsistent score: 0.046(4/87) Model 14 Inconsistent score: 0.023(2/87) Model 15 Inconsistent score: 0.0345(3/87) Model 16 Inconsistent score: 0.046(4/87) Model 17 Inconsistent score: 0.0115(1/87) 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: 0.345 (57/165) weighted: 0.131 (2.1e+04/1.6e+05) <3: 0 (0/2) <3w: 0 (0/1.48e+03) Model 1 Missing interactions: 0.432 (79/183) weighted: 0.216 (6.68e+04/3.1e+05) <3: 0 (0/1) <3w: 0 (0/3.55e+03) Model 2 Missing interactions: 0.452 (90/199) weighted: 0.27 (9.21e+04/3.41e+05) <3: 0 (0/2) <3w: 0 (0/2.84e+03) Model 3 Missing interactions: 0.435 (83/191) weighted: 0.252 (8.66e+04/3.44e+05) <3: 0 (0/3) <3w: 0 (0/3.47e+03) Model 4 Missing interactions: 0.426 (78/183) weighted: 0.146 (3.82e+04/2.62e+05) <3: 0 (0/3) <3w: 0 (0/2.24e+03) Model 5 Missing interactions: 0.404 (76/188) weighted: 0.183 (5.05e+04/2.76e+05) <3: 0 (0/2) <3w: 0 (0/3.05e+03) Model 6 Missing interactions: 0.436 (75/172) weighted: 0.159 (3.97e+04/2.51e+05) <3: 0 (0/2) <3w: 0 (0/430) Model 7 Missing interactions: 0.382 (73/191) weighted: 0.199 (5.77e+04/2.9e+05) <3: 0 (0/2) <3w: 0 (0/1.93e+04) Model 8 Missing interactions: 0.421 (77/183) weighted: 0.158 (4.52e+04/2.86e+05) <3: 0 (0/2) <3w: 0 (0/1.19e+03) Model 9 Missing interactions: 0.431 (81/188) weighted: 0.274 (7.49e+04/2.73e+05) <3: 0 (0/2) <3w: 0 (0/2.31e+03) Model 10 Missing interactions: 0.424 (78/184) weighted: 0.271 (9.73e+04/3.59e+05) <3: 0 (0/2) <3w: 0 (0/2.74e+03) Model 11 Missing interactions: 0.427 (85/199) weighted: 0.31 (9.9e+04/3.2e+05) <3: 0 (0/3) <3w: 0 (0/2.08e+03) Model 12 Missing interactions: 0.401 (73/182) weighted: 0.246 (7.31e+04/2.97e+05) <3: 0 (0/2) <3w: 0 (0/1.79e+03) Model 13 Missing interactions: 0.398 (70/176) weighted: 0.218 (6.75e+04/3.1e+05) <3: 0 (0/2) <3w: 0 (0/2.61e+03) Model 14 Missing interactions: 0.404 (80/198) weighted: 0.199 (6.3e+04/3.17e+05) <3: 0 (0/3) <3w: 0 (0/4.62e+03) Model 15 Missing interactions: 0.452 (90/199) weighted: 0.273 (8.63e+04/3.16e+05) <3: 0 (0/2) <3w: 0 (0/2.44e+03) Model 16 Missing interactions: 0.393 (70/178) weighted: 0.248 (7.54e+04/3.04e+05) <3: 0 (0/2) <3w: 0 (0/2.38e+04) Model 17 Missing interactions: 0.416 (82/197) weighted: 0.163 (5.15e+04/3.15e+05) <3: 0 (0/2) <3w: 0 (0/5.68e+03) Model 18 Missing interactions: 0.421 (83/197) weighted: 0.231 (7.1e+04/3.07e+05) <3: 0 (0/3) <3w: 0 (0/498) Model 19 Missing interactions: 0.405 (68/168) weighted: 0.153 (4.17e+04/2.73e+05) <3: 0 (0/2) <3w: 0 (0/1.51e+03) Model 20 Missing interactions: 0.468 (94/201) weighted: 0.302 (9.08e+04/3e+05) <3: 0 (0/1) <3w: 0 (0/1.58e+03) Model ave Recall: 0.966 Precision: all: 0.655 allw: 0.869 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.915 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.954 Precision: all: 0.568 allw: 0.784 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.712 F-measure:(Recall,PrecisionW) 0.861 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.977 Precision: all: 0.548 allw: 0.73 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.702 F-measure:(Recall,PrecisionW) 0.836 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.954 Precision: all: 0.565 allw: 0.748 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.71 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.954 Precision: all: 0.574 allw: 0.854 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.717 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.966 Precision: all: 0.596 allw: 0.817 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.737 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.954 Precision: all: 0.564 allw: 0.841 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.709 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 1 Precision: all: 0.618 allw: 0.801 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.764 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.943 Precision: all: 0.579 allw: 0.842 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.718 F-measure:(Recall,PrecisionW) 0.889 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.966 Precision: all: 0.569 allw: 0.726 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.716 F-measure:(Recall,PrecisionW) 0.829 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.931 Precision: all: 0.576 allw: 0.729 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.712 F-measure:(Recall,PrecisionW) 0.818 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.989 Precision: all: 0.573 allw: 0.69 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.813 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.966 Precision: all: 0.599 allw: 0.754 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.739 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.954 Precision: all: 0.602 allw: 0.782 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.738 F-measure:(Recall,PrecisionW) 0.86 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.977 Precision: all: 0.596 allw: 0.801 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.74 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.966 Precision: all: 0.548 allw: 0.727 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.699 F-measure:(Recall,PrecisionW) 0.83 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.954 Precision: all: 0.607 allw: 0.752 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.742 F-measure:(Recall,PrecisionW) 0.841 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.989 Precision: all: 0.584 allw: 0.837 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.734 F-measure:(Recall,PrecisionW) 0.906 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.989 Precision: all: 0.579 allw: 0.769 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.73 F-measure:(Recall,PrecisionW) 0.865 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.954 Precision: all: 0.595 allw: 0.847 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.733 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.954 Precision: all: 0.532 allw: 0.698 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.683 F-measure:(Recall,PrecisionW) 0.806 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: 0.00812(13/1601) Model 1 Inconsistent score: 0.00999(16/1601) Model 2 Inconsistent score: 0.00812(13/1601) Model 3 Inconsistent score: 0.00937(15/1601) Model 4 Inconsistent score: 0.00999(16/1601) Model 5 Inconsistent score: 0.0106(17/1601) Model 6 Inconsistent score: 0.0075(12/1601) Model 7 Inconsistent score: 0.0106(17/1601) Model 8 Inconsistent score: 0.00812(13/1601) Model 9 Inconsistent score: 0.0112(18/1601) Model 10 Inconsistent score: 0.0137(22/1601) Model 11 Inconsistent score: 0.0112(18/1601) Model 12 Inconsistent score: 0.00999(16/1601) Model 13 Inconsistent score: 0.0075(12/1601) Model 14 Inconsistent score: 0.0112(18/1601) Model 15 Inconsistent score: 0.00999(16/1601) Model 16 Inconsistent score: 0.0131(21/1601) Model 17 Inconsistent score: 0.0112(18/1601) Model 18 Inconsistent score: 0.00999(16/1601) Model 19 Inconsistent score: 0.00874(14/1601) Model 20 Inconsistent score: 0.0125(20/1601) Model ave Missing interactions: 0.484 (1.32e+03/2721) weighted: 0.0828 (6.04e+05/7.3e+06) <3: 0.0322 (12/373) <3w: 0.0176 (6.99e+04/3.97e+06) Model 1 Missing interactions: 0.514 (1.52e+03/2962) weighted: 0.149 (1.37e+06/9.24e+06) <3: 0.032 (12/375) <3w: 0.0157 (6.52e+04/4.15e+06) Model 2 Missing interactions: 0.521 (1.58e+03/3038) weighted: 0.139 (1.28e+06/9.2e+06) <3: 0.0323 (12/372) <3w: 0.0161 (6.69e+04/4.16e+06) Model 3 Missing interactions: 0.509 (1.51e+03/2964) weighted: 0.135 (1.2e+06/8.88e+06) <3: 0.0318 (12/377) <3w: 0.0158 (6.5e+04/4.12e+06) Model 4 Missing interactions: 0.513 (1.5e+03/2920) weighted: 0.122 (1.1e+06/8.96e+06) <3: 0.0322 (12/373) <3w: 0.0171 (7.11e+04/4.17e+06) Model 5 Missing interactions: 0.517 (1.54e+03/2973) weighted: 0.144 (1.31e+06/9.05e+06) <3: 0.0321 (12/374) <3w: 0.0163 (6.64e+04/4.08e+06) Model 6 Missing interactions: 0.511 (1.51e+03/2946) weighted: 0.127 (1.15e+06/9.05e+06) <3: 0.0323 (12/372) <3w: 0.0162 (6.73e+04/4.17e+06) Model 7 Missing interactions: 0.518 (1.55e+03/2987) weighted: 0.142 (1.28e+06/9.05e+06) <3: 0.032 (12/375) <3w: 0.016 (6.62e+04/4.15e+06) Model 8 Missing interactions: 0.513 (1.52e+03/2961) weighted: 0.143 (1.28e+06/8.95e+06) <3: 0.0319 (12/376) <3w: 0.0172 (7.13e+04/4.14e+06) Model 9 Missing interactions: 0.518 (1.54e+03/2969) weighted: 0.133 (1.21e+06/9.08e+06) <3: 0.0323 (12/372) <3w: 0.0171 (7.07e+04/4.14e+06) Model 10 Missing interactions: 0.503 (1.45e+03/2886) weighted: 0.137 (1.24e+06/9.05e+06) <3: 0.0322 (12/373) <3w: 0.0165 (6.89e+04/4.17e+06) Model 11 Missing interactions: 0.522 (1.55e+03/2964) weighted: 0.152 (1.38e+06/9.11e+06) <3: 0.0315 (12/381) <3w: 0.0193 (8.03e+04/4.16e+06) Model 12 Missing interactions: 0.506 (1.46e+03/2891) weighted: 0.123 (1.09e+06/8.91e+06) <3: 0.0319 (12/376) <3w: 0.0173 (7.18e+04/4.15e+06) Model 13 Missing interactions: 0.512 (1.52e+03/2966) weighted: 0.137 (1.27e+06/9.26e+06) <3: 0.0322 (12/373) <3w: 0.017 (7.17e+04/4.22e+06) Model 14 Missing interactions: 0.524 (1.6e+03/3046) weighted: 0.153 (1.43e+06/9.34e+06) <3: 0.0321 (12/374) <3w: 0.017 (7e+04/4.13e+06) Model 15 Missing interactions: 0.523 (1.58e+03/3029) weighted: 0.145 (1.33e+06/9.21e+06) <3: 0.0321 (12/374) <3w: 0.0177 (7.29e+04/4.12e+06) Model 16 Missing interactions: 0.512 (1.51e+03/2943) weighted: 0.151 (1.38e+06/9.16e+06) <3: 0.0323 (12/371) <3w: 0.0164 (6.71e+04/4.1e+06) Model 17 Missing interactions: 0.52 (1.58e+03/3032) weighted: 0.143 (1.33e+06/9.3e+06) <3: 0.0321 (12/374) <3w: 0.0157 (6.48e+04/4.14e+06) Model 18 Missing interactions: 0.527 (1.61e+03/3059) weighted: 0.154 (1.45e+06/9.45e+06) <3: 0.0323 (12/372) <3w: 0.017 (7.09e+04/4.16e+06) Model 19 Missing interactions: 0.523 (1.59e+03/3038) weighted: 0.144 (1.34e+06/9.24e+06) <3: 0.0321 (12/374) <3w: 0.0169 (7.02e+04/4.14e+06) Model 20 Missing interactions: 0.523 (1.56e+03/2987) weighted: 0.15 (1.36e+06/9.04e+06) <3: 0.0323 (12/371) <3w: 0.0157 (6.47e+04/4.11e+06) Model ave Recall: 0.992 Precision: all: 0.516 allw: 0.917 <3: 0.968 <3w: 0.982 F-measure:(Recall,Precision) 0.679 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 1 Recall: 0.99 Precision: all: 0.486 allw: 0.851 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.652 F-measure:(Recall,PrecisionW) 0.915 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 2 Recall: 0.992 Precision: all: 0.479 allw: 0.861 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.922 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 3 Recall: 0.991 Precision: all: 0.491 allw: 0.865 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.657 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 4 Recall: 0.99 Precision: all: 0.487 allw: 0.878 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.653 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 5 Recall: 0.989 Precision: all: 0.483 allw: 0.856 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.649 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 6 Recall: 0.993 Precision: all: 0.489 allw: 0.873 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.655 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 7 Recall: 0.989 Precision: all: 0.482 allw: 0.858 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.648 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 8 Recall: 0.992 Precision: all: 0.487 allw: 0.857 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.654 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 9 Recall: 0.989 Precision: all: 0.482 allw: 0.867 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.648 F-measure:(Recall,PrecisionW) 0.924 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 10 Recall: 0.986 Precision: all: 0.497 allw: 0.863 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.661 F-measure:(Recall,PrecisionW) 0.92 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 11 Recall: 0.989 Precision: all: 0.478 allw: 0.848 <3: 0.969 <3w: 0.981 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.99 Model 12 Recall: 0.99 Precision: all: 0.494 allw: 0.877 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.659 F-measure:(Recall,PrecisionW) 0.93 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 13 Recall: 0.993 Precision: all: 0.488 allw: 0.863 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.654 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 14 Recall: 0.989 Precision: all: 0.476 allw: 0.847 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 15 Recall: 0.99 Precision: all: 0.477 allw: 0.855 <3: 0.968 <3w: 0.982 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 16 Recall: 0.987 Precision: all: 0.488 allw: 0.849 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.653 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 17 Recall: 0.989 Precision: all: 0.48 allw: 0.857 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.646 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 Model 18 Recall: 0.99 Precision: all: 0.473 allw: 0.846 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.912 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 19 Recall: 0.991 Precision: all: 0.477 allw: 0.856 <3: 0.968 <3w: 0.983 F-measure:(Recall,Precision) 0.644 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.991 Model 20 Recall: 0.988 Precision: all: 0.477 allw: 0.85 <3: 0.968 <3w: 0.984 F-measure:(Recall,Precision) 0.643 F-measure:(Recall,PrecisionW) 0.914 F-measure:(0,PrecisionIdeal) 0.984 F-measure:(0,PrecisionIdealW) 0.992 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: 0.988 Final Precision-score for input query structures: 0.926 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: 0.956 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.853 Model 1 Final Recall-score for input query structures: 0.984 Final Precision-score for input query structures: 0.872 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: 0.925 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.717 Model 2 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.876 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: 0.929 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.734 Model 3 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.88 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: 0.93 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.738 Model 4 Final Recall-score for input query structures: 0.985 Final Precision-score for input query structures: 0.893 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: 0.937 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.772 Model 5 Final Recall-score for input query structures: 0.984 Final Precision-score for input query structures: 0.874 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: 0.926 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.721 Model 6 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.885 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: 0.933 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.751 Model 7 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.873 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.926 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.721 Model 8 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.876 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: 0.927 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.728 Model 9 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: 0.978 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: 0.931 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.749 Model 10 Final Recall-score for input query structures: 0.98 Final Precision-score for input query structures: 0.879 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: 0.927 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.725 Model 11 Final Recall-score for input query structures: 0.985 Final Precision-score for input query structures: 0.864 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: 0.92 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.701 Model 12 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.89 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: 0.936 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.767 Model 13 Final Recall-score for input query structures: 0.99 Final Precision-score for input query structures: 0.878 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.979 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: 0.931 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.749 Model 14 Final Recall-score for input query structures: 0.984 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: 0.922 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.707 Model 15 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.873 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.98 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: 0.926 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.724 Model 16 Final Recall-score for input query structures: 0.982 Final Precision-score for input query structures: 0.865 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.92 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.695 Model 17 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.878 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 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: 0.929 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.734 Model 18 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.859 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 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: 0.988 Final Precision-score for input query structures: 0.868 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.979 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: 0.924 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.719 Model 20 Final Recall-score for input query structures: 0.984 Final Precision-score for input query structures: 0.863 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: 0.92 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.758 DP-Score: 0.695 Statistics: =========== NOESY_Assign: User CPU Time: 20.9 sec. Syst CPU Time: 0.3 sec. Other Processes: User CPU Time: 0.28 sec. Syst CPU Time: 0.03 sec. Total Elapsed Time: 21.6 sec.