# created by ASDP Version 1.0 Copyright(C) 2010 # Wed Jun 5 14:54:08 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/XCR50_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q XCR50_NMR_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 112 Number of peaks NOT matched in the Peak List: 14 M score = 0.12 Average shift in HX: 0.0018 Average ab-shift in HX: 0.0034(Assignment used: 67) Average shift in X: -0.00068 Average ab-shift in X: 0.023(Assignment used: 66) Average shift in HX2: -0.0029 Average ab-shift in HX2: 0.0061(Assignment used: 96) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0474(48/1013) Model 1 Inconsistent score: 0.0494(50/1013) Model 2 Inconsistent score: 0.0464(47/1013) Model 3 Inconsistent score: 0.0543(55/1013) Model 4 Inconsistent score: 0.0494(50/1013) Model 5 Inconsistent score: 0.0454(46/1013) Model 6 Inconsistent score: 0.0484(49/1013) Model 7 Inconsistent score: 0.0503(51/1013) Model 8 Inconsistent score: 0.0494(50/1013) Model 9 Inconsistent score: 0.0513(52/1013) Model 10 Inconsistent score: 0.0484(49/1013) Model 11 Inconsistent score: 0.0533(54/1013) Model 12 Inconsistent score: 0.0503(51/1013) Model 13 Inconsistent score: 0.0503(51/1013) Model 14 Inconsistent score: 0.0484(49/1013) Model 15 Inconsistent score: 0.0543(55/1013) Model 16 Inconsistent score: 0.0494(50/1013) Model 17 Inconsistent score: 0.0543(55/1013) Model 18 Inconsistent score: 0.0494(50/1013) Model 19 Inconsistent score: 0.0474(48/1013) Model 20 Inconsistent score: 0.0494(50/1013) Model ave Missing interactions: 0.289 (319/1105) weighted: 0.0533 (1.56e+05/2.93e+06) <3: 0.0684 (8/117) <3w: 0.062 (2.94e+04/4.74e+05) Model 1 Missing interactions: 0.285 (313/1099) weighted: 0.0566 (1.9e+05/3.36e+06) <3: 0.069 (8/116) <3w: 0.0794 (3.7e+04/4.66e+05) Model 2 Missing interactions: 0.296 (335/1130) weighted: 0.0701 (2.41e+05/3.44e+06) <3: 0.069 (8/116) <3w: 0.0623 (3.32e+04/5.33e+05) Model 3 Missing interactions: 0.294 (327/1114) weighted: 0.0638 (2.09e+05/3.28e+06) <3: 0.0667 (8/120) <3w: 0.0642 (3.02e+04/4.71e+05) Model 4 Missing interactions: 0.285 (316/1107) weighted: 0.0621 (2.04e+05/3.29e+06) <3: 0.0678 (8/118) <3w: 0.0742 (3.69e+04/4.97e+05) Model 5 Missing interactions: 0.281 (311/1106) weighted: 0.0636 (2.09e+05/3.29e+06) <3: 0.0672 (8/119) <3w: 0.054 (2.58e+04/4.78e+05) Model 6 Missing interactions: 0.302 (341/1128) weighted: 0.0674 (2.32e+05/3.44e+06) <3: 0.0696 (8/115) <3w: 0.0598 (2.92e+04/4.88e+05) Model 7 Missing interactions: 0.291 (325/1115) weighted: 0.0627 (2.04e+05/3.25e+06) <3: 0.069 (8/116) <3w: 0.0591 (3.02e+04/5.11e+05) Model 8 Missing interactions: 0.302 (338/1120) weighted: 0.0795 (2.69e+05/3.39e+06) <3: 0.0672 (8/119) <3w: 0.0618 (2.9e+04/4.69e+05) Model 9 Missing interactions: 0.292 (323/1105) weighted: 0.0659 (2.15e+05/3.26e+06) <3: 0.0667 (8/120) <3w: 0.0903 (4.65e+04/5.15e+05) Model 10 Missing interactions: 0.299 (335/1120) weighted: 0.0615 (2.03e+05/3.31e+06) <3: 0.069 (8/116) <3w: 0.0755 (3.78e+04/5e+05) Model 11 Missing interactions: 0.313 (358/1145) weighted: 0.0729 (2.42e+05/3.32e+06) <3: 0.0678 (8/118) <3w: 0.0487 (2.5e+04/5.12e+05) Model 12 Missing interactions: 0.305 (348/1140) weighted: 0.082 (2.78e+05/3.39e+06) <3: 0.0672 (8/119) <3w: 0.066 (3.22e+04/4.88e+05) Model 13 Missing interactions: 0.298 (337/1129) weighted: 0.0623 (2.07e+05/3.32e+06) <3: 0.069 (8/116) <3w: 0.0782 (4.05e+04/5.18e+05) Model 14 Missing interactions: 0.286 (315/1102) weighted: 0.0591 (1.93e+05/3.27e+06) <3: 0.0684 (8/117) <3w: 0.0821 (4.03e+04/4.91e+05) Model 15 Missing interactions: 0.298 (333/1117) weighted: 0.0633 (2.12e+05/3.34e+06) <3: 0.0667 (8/120) <3w: 0.0513 (2.4e+04/4.68e+05) Model 16 Missing interactions: 0.284 (314/1105) weighted: 0.0596 (2.04e+05/3.43e+06) <3: 0.069 (8/116) <3w: 0.066 (3.31e+04/5.02e+05) Model 17 Missing interactions: 0.313 (358/1145) weighted: 0.0704 (2.36e+05/3.36e+06) <3: 0.0684 (8/117) <3w: 0.0667 (3.39e+04/5.09e+05) Model 18 Missing interactions: 0.304 (341/1121) weighted: 0.0645 (2.13e+05/3.31e+06) <3: 0.0672 (8/119) <3w: 0.059 (2.94e+04/4.97e+05) Model 19 Missing interactions: 0.294 (330/1124) weighted: 0.0749 (2.48e+05/3.31e+06) <3: 0.0667 (8/120) <3w: 0.0592 (2.79e+04/4.71e+05) Model 20 Missing interactions: 0.301 (338/1124) weighted: 0.0633 (2.16e+05/3.42e+06) <3: 0.0684 (8/117) <3w: 0.0554 (2.8e+04/5.06e+05) Model ave Recall: 0.953 Precision: all: 0.711 allw: 0.947 <3: 0.932 <3w: 0.938 F-measure:(Recall,Precision) 0.814 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.965 F-measure:(0,PrecisionIdealW) 0.968 Model 1 Recall: 0.951 Precision: all: 0.715 allw: 0.943 <3: 0.931 <3w: 0.921 F-measure:(Recall,Precision) 0.816 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.964 F-measure:(0,PrecisionIdealW) 0.959 Model 2 Recall: 0.954 Precision: all: 0.704 allw: 0.93 <3: 0.931 <3w: 0.938 F-measure:(Recall,Precision) 0.81 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.964 F-measure:(0,PrecisionIdealW) 0.968 Model 3 Recall: 0.946 Precision: all: 0.706 allw: 0.936 <3: 0.933 <3w: 0.936 F-measure:(Recall,Precision) 0.809 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.966 F-measure:(0,PrecisionIdealW) 0.967 Model 4 Recall: 0.951 Precision: all: 0.715 allw: 0.938 <3: 0.932 <3w: 0.926 F-measure:(Recall,Precision) 0.816 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 0.965 F-measure:(0,PrecisionIdealW) 0.961 Model 5 Recall: 0.955 Precision: all: 0.719 allw: 0.936 <3: 0.933 <3w: 0.946 F-measure:(Recall,Precision) 0.82 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.965 F-measure:(0,PrecisionIdealW) 0.972 Model 6 Recall: 0.952 Precision: all: 0.698 allw: 0.933 <3: 0.93 <3w: 0.94 F-measure:(Recall,Precision) 0.805 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.964 F-measure:(0,PrecisionIdealW) 0.969 Model 7 Recall: 0.95 Precision: all: 0.709 allw: 0.937 <3: 0.931 <3w: 0.941 F-measure:(Recall,Precision) 0.812 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.964 F-measure:(0,PrecisionIdealW) 0.97 Model 8 Recall: 0.951 Precision: all: 0.698 allw: 0.92 <3: 0.933 <3w: 0.938 F-measure:(Recall,Precision) 0.805 F-measure:(Recall,PrecisionW) 0.935 F-measure:(0,PrecisionIdeal) 0.965 F-measure:(0,PrecisionIdealW) 0.968 Model 9 Recall: 0.949 Precision: all: 0.708 allw: 0.934 <3: 0.933 <3w: 0.91 F-measure:(Recall,Precision) 0.811 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.966 F-measure:(0,PrecisionIdealW) 0.953 Model 10 Recall: 0.952 Precision: all: 0.701 allw: 0.939 <3: 0.931 <3w: 0.924 F-measure:(Recall,Precision) 0.807 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.964 F-measure:(0,PrecisionIdealW) 0.961 Model 11 Recall: 0.947 Precision: all: 0.687 allw: 0.927 <3: 0.932 <3w: 0.951 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 0.965 F-measure:(0,PrecisionIdealW) 0.975 Model 12 Recall: 0.95 Precision: all: 0.695 allw: 0.918 <3: 0.933 <3w: 0.934 F-measure:(Recall,Precision) 0.802 F-measure:(Recall,PrecisionW) 0.934 F-measure:(0,PrecisionIdeal) 0.965 F-measure:(0,PrecisionIdealW) 0.966 Model 13 Recall: 0.95 Precision: all: 0.702 allw: 0.938 <3: 0.931 <3w: 0.922 F-measure:(Recall,Precision) 0.807 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 0.964 F-measure:(0,PrecisionIdealW) 0.959 Model 14 Recall: 0.952 Precision: all: 0.714 allw: 0.941 <3: 0.932 <3w: 0.918 F-measure:(Recall,Precision) 0.816 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.965 F-measure:(0,PrecisionIdealW) 0.957 Model 15 Recall: 0.946 Precision: all: 0.702 allw: 0.937 <3: 0.933 <3w: 0.949 F-measure:(Recall,Precision) 0.806 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.966 F-measure:(0,PrecisionIdealW) 0.974 Model 16 Recall: 0.951 Precision: all: 0.716 allw: 0.94 <3: 0.931 <3w: 0.934 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.964 F-measure:(0,PrecisionIdealW) 0.966 Model 17 Recall: 0.946 Precision: all: 0.687 allw: 0.93 <3: 0.932 <3w: 0.933 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 0.965 F-measure:(0,PrecisionIdealW) 0.965 Model 18 Recall: 0.951 Precision: all: 0.696 allw: 0.936 <3: 0.933 <3w: 0.941 F-measure:(Recall,Precision) 0.804 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.965 F-measure:(0,PrecisionIdealW) 0.97 Model 19 Recall: 0.953 Precision: all: 0.706 allw: 0.925 <3: 0.933 <3w: 0.941 F-measure:(Recall,Precision) 0.811 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 0.966 F-measure:(0,PrecisionIdealW) 0.969 Model 20 Recall: 0.951 Precision: all: 0.699 allw: 0.937 <3: 0.932 <3w: 0.945 F-measure:(Recall,Precision) 0.806 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 0.965 F-measure:(0,PrecisionIdealW) 0.972 For freely-rotating-chain model: Model ave Inconsistent score: 0.35(355/1013) Model ave Missing interactions: 0.169 (92/543) weighted: 0.0938 (2.86e+04/3.05e+05) <3: 0.115 (13/113) <3w: 0.0964 (1.55e+04/1.61e+05) Recall: 0.65 Precision: all: 0.831 allw: 0.906 F-measure:(RecallFree,PrecisionFree) 0.729 F-measure:(ReallFree,PrecisionFreeW) 0.757 # Summary for c.peaks Total simulated peaks: 595 Number of peaks NOT matched in the Peak List: 21 M score = 0.035 Average shift in HX: 0.00044 Average ab-shift in HX: 0.003(Assignment used: 285) Average shift in X: -0.0026 Average ab-shift in X: 0.026(Assignment used: 216) Average shift in HX2: -0.00045 Average ab-shift in HX2: 0.0036(Assignment used: 353) #For peaklist c.peaks: Rmax: 5 Model ave Inconsistent score: 0.0338(103/3046) Model 1 Inconsistent score: 0.0348(106/3046) Model 2 Inconsistent score: 0.0318(97/3046) Model 3 Inconsistent score: 0.0358(109/3046) Model 4 Inconsistent score: 0.0355(108/3046) Model 5 Inconsistent score: 0.0335(102/3046) Model 6 Inconsistent score: 0.0332(101/3046) Model 7 Inconsistent score: 0.0364(111/3046) Model 8 Inconsistent score: 0.0351(107/3046) Model 9 Inconsistent score: 0.0355(108/3046) Model 10 Inconsistent score: 0.0361(110/3046) Model 11 Inconsistent score: 0.0348(106/3046) Model 12 Inconsistent score: 0.0341(104/3046) Model 13 Inconsistent score: 0.0341(104/3046) Model 14 Inconsistent score: 0.0374(114/3046) Model 15 Inconsistent score: 0.0381(116/3046) Model 16 Inconsistent score: 0.0364(111/3046) Model 17 Inconsistent score: 0.0355(108/3046) Model 18 Inconsistent score: 0.0358(109/3046) Model 19 Inconsistent score: 0.0348(106/3046) Model 20 Inconsistent score: 0.0361(110/3046) Model ave Missing interactions: 0.449 (1.6e+03/3557) weighted: 0.0992 (1.05e+06/1.06e+07) <3: 0.0511 (23/450) <3w: 0.0156 (7.82e+04/5.03e+06) Model 1 Missing interactions: 0.45 (1.6e+03/3562) weighted: 0.105 (1.25e+06/1.19e+07) <3: 0.0512 (23/449) <3w: 0.0158 (8.01e+04/5.08e+06) Model 2 Missing interactions: 0.46 (1.68e+03/3656) weighted: 0.129 (1.57e+06/1.22e+07) <3: 0.0512 (23/449) <3w: 0.0168 (8.57e+04/5.1e+06) Model 3 Missing interactions: 0.46 (1.68e+03/3646) weighted: 0.122 (1.48e+06/1.21e+07) <3: 0.0508 (23/453) <3w: 0.016 (8.14e+04/5.08e+06) Model 4 Missing interactions: 0.457 (1.66e+03/3631) weighted: 0.115 (1.39e+06/1.2e+07) <3: 0.051 (23/451) <3w: 0.0141 (7.2e+04/5.12e+06) Model 5 Missing interactions: 0.454 (1.65e+03/3632) weighted: 0.117 (1.42e+06/1.21e+07) <3: 0.0509 (23/452) <3w: 0.0183 (9.4e+04/5.14e+06) Model 6 Missing interactions: 0.458 (1.66e+03/3633) weighted: 0.123 (1.52e+06/1.23e+07) <3: 0.0513 (23/448) <3w: 0.0168 (8.54e+04/5.07e+06) Model 7 Missing interactions: 0.449 (1.59e+03/3545) weighted: 0.124 (1.5e+06/1.21e+07) <3: 0.0512 (23/449) <3w: 0.019 (9.74e+04/5.13e+06) Model 8 Missing interactions: 0.455 (1.64e+03/3606) weighted: 0.129 (1.56e+06/1.21e+07) <3: 0.0509 (23/452) <3w: 0.0187 (9.46e+04/5.06e+06) Model 9 Missing interactions: 0.457 (1.65e+03/3607) weighted: 0.124 (1.49e+06/1.19e+07) <3: 0.0508 (23/453) <3w: 0.0191 (9.81e+04/5.15e+06) Model 10 Missing interactions: 0.461 (1.66e+03/3608) weighted: 0.125 (1.51e+06/1.21e+07) <3: 0.0512 (23/449) <3w: 0.0188 (9.72e+04/5.16e+06) Model 11 Missing interactions: 0.463 (1.68e+03/3638) weighted: 0.128 (1.53e+06/1.2e+07) <3: 0.051 (23/451) <3w: 0.0168 (8.62e+04/5.14e+06) Model 12 Missing interactions: 0.466 (1.74e+03/3730) weighted: 0.125 (1.57e+06/1.25e+07) <3: 0.0509 (23/452) <3w: 0.0142 (7.2e+04/5.08e+06) Model 13 Missing interactions: 0.458 (1.68e+03/3672) weighted: 0.129 (1.56e+06/1.21e+07) <3: 0.0512 (23/449) <3w: 0.0185 (9.44e+04/5.1e+06) Model 14 Missing interactions: 0.457 (1.65e+03/3611) weighted: 0.113 (1.37e+06/1.21e+07) <3: 0.0511 (23/450) <3w: 0.0175 (9.02e+04/5.14e+06) Model 15 Missing interactions: 0.453 (1.62e+03/3568) weighted: 0.121 (1.45e+06/1.2e+07) <3: 0.0508 (23/453) <3w: 0.0152 (7.72e+04/5.09e+06) Model 16 Missing interactions: 0.457 (1.65e+03/3613) weighted: 0.127 (1.56e+06/1.23e+07) <3: 0.0512 (23/449) <3w: 0.0159 (8.11e+04/5.1e+06) Model 17 Missing interactions: 0.459 (1.68e+03/3675) weighted: 0.124 (1.5e+06/1.21e+07) <3: 0.0511 (23/450) <3w: 0.0187 (9.63e+04/5.16e+06) Model 18 Missing interactions: 0.465 (1.71e+03/3678) weighted: 0.134 (1.65e+06/1.23e+07) <3: 0.0509 (23/452) <3w: 0.016 (8.27e+04/5.17e+06) Model 19 Missing interactions: 0.464 (1.7e+03/3676) weighted: 0.123 (1.49e+06/1.22e+07) <3: 0.0508 (23/453) <3w: 0.014 (7.23e+04/5.16e+06) Model 20 Missing interactions: 0.459 (1.66e+03/3615) weighted: 0.125 (1.52e+06/1.22e+07) <3: 0.0511 (23/450) <3w: 0.0136 (7.04e+04/5.18e+06) Model ave Recall: 0.966 Precision: all: 0.551 allw: 0.901 <3: 0.949 <3w: 0.984 F-measure:(Recall,Precision) 0.702 F-measure:(Recall,PrecisionW) 0.932 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.992 Model 1 Recall: 0.965 Precision: all: 0.55 allw: 0.895 <3: 0.949 <3w: 0.984 F-measure:(Recall,Precision) 0.701 F-measure:(Recall,PrecisionW) 0.929 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.992 Model 2 Recall: 0.968 Precision: all: 0.54 allw: 0.871 <3: 0.949 <3w: 0.983 F-measure:(Recall,Precision) 0.693 F-measure:(Recall,PrecisionW) 0.917 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.992 Model 3 Recall: 0.964 Precision: all: 0.54 allw: 0.878 <3: 0.949 <3w: 0.984 F-measure:(Recall,Precision) 0.693 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.992 Model 4 Recall: 0.965 Precision: all: 0.543 allw: 0.885 <3: 0.949 <3w: 0.986 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.993 Model 5 Recall: 0.967 Precision: all: 0.546 allw: 0.883 <3: 0.949 <3w: 0.982 F-measure:(Recall,Precision) 0.698 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.991 Model 6 Recall: 0.967 Precision: all: 0.542 allw: 0.877 <3: 0.949 <3w: 0.983 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.992 Model 7 Recall: 0.964 Precision: all: 0.551 allw: 0.876 <3: 0.949 <3w: 0.981 F-measure:(Recall,Precision) 0.701 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.99 Model 8 Recall: 0.965 Precision: all: 0.545 allw: 0.871 <3: 0.949 <3w: 0.981 F-measure:(Recall,Precision) 0.696 F-measure:(Recall,PrecisionW) 0.916 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.991 Model 9 Recall: 0.965 Precision: all: 0.543 allw: 0.876 <3: 0.949 <3w: 0.981 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.99 Model 10 Recall: 0.964 Precision: all: 0.539 allw: 0.875 <3: 0.949 <3w: 0.981 F-measure:(Recall,Precision) 0.691 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.99 Model 11 Recall: 0.965 Precision: all: 0.537 allw: 0.872 <3: 0.949 <3w: 0.983 F-measure:(Recall,Precision) 0.69 F-measure:(Recall,PrecisionW) 0.916 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.992 Model 12 Recall: 0.966 Precision: all: 0.534 allw: 0.875 <3: 0.949 <3w: 0.986 F-measure:(Recall,Precision) 0.688 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.993 Model 13 Recall: 0.966 Precision: all: 0.542 allw: 0.871 <3: 0.949 <3w: 0.981 F-measure:(Recall,Precision) 0.694 F-measure:(Recall,PrecisionW) 0.916 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.991 Model 14 Recall: 0.963 Precision: all: 0.543 allw: 0.887 <3: 0.949 <3w: 0.982 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.923 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.991 Model 15 Recall: 0.962 Precision: all: 0.547 allw: 0.879 <3: 0.949 <3w: 0.985 F-measure:(Recall,Precision) 0.697 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.992 Model 16 Recall: 0.964 Precision: all: 0.543 allw: 0.873 <3: 0.949 <3w: 0.984 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.916 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.992 Model 17 Recall: 0.965 Precision: all: 0.541 allw: 0.876 <3: 0.949 <3w: 0.981 F-measure:(Recall,Precision) 0.694 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.991 Model 18 Recall: 0.964 Precision: all: 0.535 allw: 0.866 <3: 0.949 <3w: 0.984 F-measure:(Recall,Precision) 0.688 F-measure:(Recall,PrecisionW) 0.912 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.992 Model 19 Recall: 0.965 Precision: all: 0.536 allw: 0.877 <3: 0.949 <3w: 0.986 F-measure:(Recall,Precision) 0.69 F-measure:(Recall,PrecisionW) 0.919 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.993 Model 20 Recall: 0.964 Precision: all: 0.541 allw: 0.875 <3: 0.949 <3w: 0.986 F-measure:(Recall,Precision) 0.693 F-measure:(Recall,PrecisionW) 0.918 F-measure:(0,PrecisionIdeal) 0.974 F-measure:(0,PrecisionIdealW) 0.993 For freely-rotating-chain model: Model ave Inconsistent score: 0.396(1205/3046) Model ave Missing interactions: 0.31 (419/1350) weighted: 0.1 (1.11e+05/1.11e+06) <3: 0.0826 (38/460) <3w: 0.0524 (4.63e+04/8.84e+05) Recall: 0.604 Precision: all: 0.69 allw: 0.9 F-measure:(RecallFree,PrecisionFree) 0.644 F-measure:(ReallFree,PrecisionFreeW) 0.723 Final M-score 0.0495 35/707 Model ave Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.911 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.936 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.791 Model 1 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.906 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.933 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.782 Model 2 Final Recall-score for input query structures: 0.965 Final Precision-score for input query structures: 0.884 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.979 Final Recall-score for freely-rotating-chain model: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.743 Model 3 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.891 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.924 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.744 Model 4 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.896 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.927 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.756 Model 5 Final Recall-score for input query structures: 0.964 Final Precision-score for input query structures: 0.894 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.927 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.759 Model 6 Final Recall-score for input query structures: 0.963 Final Precision-score for input query structures: 0.889 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.924 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.744 Model 7 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.889 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.743 Model 8 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.882 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.92 F-score of ideal true structures: 0.989 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.732 Model 9 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.888 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.974 Final Recall-score for freely-rotating-chain model: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.987 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.749 Model 10 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.889 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.976 Final Recall-score for freely-rotating-chain model: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.988 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.746 Model 11 Final Recall-score for input query structures: 0.961 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.921 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.733 Model 12 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.884 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.981 Final Recall-score for freely-rotating-chain model: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.921 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.73 Model 13 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.885 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.976 Final Recall-score for freely-rotating-chain model: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.922 F-score of ideal true structures: 0.988 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.742 Model 14 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.898 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.928 F-score of ideal true structures: 0.988 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.766 Model 15 Final Recall-score for input query structures: 0.958 Final Precision-score for input query structures: 0.892 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 Final Recall-score for freely-rotating-chain model: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.924 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.741 Model 16 Final Recall-score for input query structures: 0.96 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.922 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.736 Model 17 Final Recall-score for input query structures: 0.96 Final Precision-score for input query structures: 0.888 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.922 F-score of ideal true structures: 0.988 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.742 Model 18 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.881 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: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.919 F-score of ideal true structures: 0.99 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.725 Model 19 Final Recall-score for input query structures: 0.962 Final Precision-score for input query structures: 0.887 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.982 Final Recall-score for freely-rotating-chain model: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.737 Model 20 Final Recall-score for input query structures: 0.961 Final Precision-score for input query structures: 0.889 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.983 Final Recall-score for freely-rotating-chain model: 0.616 Final Precision-score for freely-rotating-chain model: 0.901 Summary: F-score of input query structures: 0.923 F-score of ideal true structures: 0.991 F-score of freely-rotating-chain model: 0.732 DP-Score: 0.737 Statistics: =========== NOESY_Assign: User CPU Time: 26.9 sec. Syst CPU Time: 0.53 sec. Other Processes: User CPU Time: 0.39 sec. Syst CPU Time: 0.03 sec. Total Elapsed Time: 27.9 sec.