# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 00:05:02 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/CTR148A_R3_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q CTR148A_R3_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 136 Number of peaks NOT matched in the Peak List: 8 M score = 0.059 Average shift in HX: -0.00014 Average ab-shift in HX: 0.00024(Assignment used: 83) Average shift in X: 0.0047 Average ab-shift in X: 0.0049(Assignment used: 81) Average shift in HX2: -0.0046 Average ab-shift in HX2: 0.0071(Assignment used: 110) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.133(157/1180) Model 1 Inconsistent score: 0.136(160/1180) Model 2 Inconsistent score: 0.129(152/1180) Model 3 Inconsistent score: 0.128(151/1180) Model 4 Inconsistent score: 0.123(145/1180) Model 5 Inconsistent score: 0.127(150/1180) Model 6 Inconsistent score: 0.125(148/1180) Model 7 Inconsistent score: 0.139(164/1180) Model 8 Inconsistent score: 0.128(151/1180) Model 9 Inconsistent score: 0.131(154/1180) Model 10 Inconsistent score: 0.124(146/1180) Model 11 Inconsistent score: 0.123(145/1180) Model 12 Inconsistent score: 0.141(166/1180) Model 13 Inconsistent score: 0.136(161/1180) Model 14 Inconsistent score: 0.129(152/1180) Model 15 Inconsistent score: 0.127(150/1180) Model 16 Inconsistent score: 0.131(154/1180) Model 17 Inconsistent score: 0.118(139/1180) Model 18 Inconsistent score: 0.125(148/1180) Model 19 Inconsistent score: 0.122(144/1180) Model 20 Inconsistent score: 0.128(151/1180) Model ave Missing interactions: 0.21 (285/1354) weighted: 0.0611 (1.97e+05/3.22e+06) <3: 0.0411 (6/146) <3w: 0.0906 (7.54e+04/8.32e+05) Model 1 Missing interactions: 0.244 (354/1452) weighted: 0.0733 (2.73e+05/3.73e+06) <3: 0.0403 (6/149) <3w: 0.0817 (7.19e+04/8.81e+05) Model 2 Missing interactions: 0.235 (338/1436) weighted: 0.0698 (2.66e+05/3.81e+06) <3: 0.0405 (6/148) <3w: 0.0849 (7.16e+04/8.43e+05) Model 3 Missing interactions: 0.245 (357/1458) weighted: 0.0709 (2.71e+05/3.82e+06) <3: 0.0408 (6/147) <3w: 0.0854 (7.21e+04/8.44e+05) Model 4 Missing interactions: 0.237 (346/1459) weighted: 0.0665 (2.47e+05/3.71e+06) <3: 0.0405 (6/148) <3w: 0.0843 (7.18e+04/8.52e+05) Model 5 Missing interactions: 0.236 (338/1432) weighted: 0.0666 (2.41e+05/3.62e+06) <3: 0.0403 (6/149) <3w: 0.0828 (7.36e+04/8.89e+05) Model 6 Missing interactions: 0.238 (343/1443) weighted: 0.0687 (2.57e+05/3.73e+06) <3: 0.0403 (6/149) <3w: 0.0842 (7.23e+04/8.58e+05) Model 7 Missing interactions: 0.243 (348/1431) weighted: 0.0772 (2.83e+05/3.67e+06) <3: 0.0403 (6/149) <3w: 0.0961 (8.36e+04/8.69e+05) Model 8 Missing interactions: 0.242 (345/1428) weighted: 0.0814 (3.1e+05/3.81e+06) <3: 0.039 (6/154) <3w: 0.0837 (7.23e+04/8.64e+05) Model 9 Missing interactions: 0.235 (337/1437) weighted: 0.0699 (2.66e+05/3.81e+06) <3: 0.0408 (6/147) <3w: 0.0839 (7.22e+04/8.61e+05) Model 10 Missing interactions: 0.253 (373/1474) weighted: 0.0744 (2.73e+05/3.67e+06) <3: 0.0395 (6/152) <3w: 0.0827 (7.22e+04/8.73e+05) Model 11 Missing interactions: 0.253 (377/1490) weighted: 0.0752 (2.88e+05/3.83e+06) <3: 0.0395 (6/152) <3w: 0.0827 (7.21e+04/8.72e+05) Model 12 Missing interactions: 0.238 (341/1430) weighted: 0.0705 (2.7e+05/3.83e+06) <3: 0.0405 (6/148) <3w: 0.0851 (7.24e+04/8.51e+05) Model 13 Missing interactions: 0.244 (353/1445) weighted: 0.0699 (2.58e+05/3.69e+06) <3: 0.0411 (6/146) <3w: 0.0829 (7.16e+04/8.64e+05) Model 14 Missing interactions: 0.235 (338/1437) weighted: 0.0689 (2.58e+05/3.75e+06) <3: 0.0408 (6/147) <3w: 0.0839 (7.26e+04/8.65e+05) Model 15 Missing interactions: 0.245 (357/1455) weighted: 0.0683 (2.52e+05/3.69e+06) <3: 0.0408 (6/147) <3w: 0.0952 (8.39e+04/8.81e+05) Model 16 Missing interactions: 0.252 (367/1459) weighted: 0.077 (2.91e+05/3.78e+06) <3: 0.0392 (6/153) <3w: 0.0821 (7.2e+04/8.77e+05) Model 17 Missing interactions: 0.237 (343/1450) weighted: 0.0722 (2.71e+05/3.75e+06) <3: 0.0403 (6/149) <3w: 0.083 (7.16e+04/8.62e+05) Model 18 Missing interactions: 0.249 (363/1460) weighted: 0.0715 (2.65e+05/3.71e+06) <3: 0.04 (6/150) <3w: 0.0837 (7.23e+04/8.64e+05) Model 19 Missing interactions: 0.237 (346/1463) weighted: 0.0669 (2.59e+05/3.87e+06) <3: 0.0408 (6/147) <3w: 0.0844 (7.29e+04/8.63e+05) Model 20 Missing interactions: 0.253 (377/1492) weighted: 0.09 (3.38e+05/3.75e+06) <3: 0.0403 (6/149) <3w: 0.0827 (7.21e+04/8.72e+05) Model ave Recall: 0.867 Precision: all: 0.79 allw: 0.939 <3: 0.959 <3w: 0.909 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.953 Model 1 Recall: 0.864 Precision: all: 0.756 allw: 0.927 <3: 0.96 <3w: 0.918 F-measure:(Recall,Precision) 0.807 F-measure:(Recall,PrecisionW) 0.894 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 2 Recall: 0.871 Precision: all: 0.765 allw: 0.93 <3: 0.959 <3w: 0.915 F-measure:(Recall,Precision) 0.814 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 3 Recall: 0.872 Precision: all: 0.755 allw: 0.929 <3: 0.959 <3w: 0.915 F-measure:(Recall,Precision) 0.809 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.955 Model 4 Recall: 0.877 Precision: all: 0.763 allw: 0.933 <3: 0.959 <3w: 0.916 F-measure:(Recall,Precision) 0.816 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 5 Recall: 0.873 Precision: all: 0.764 allw: 0.933 <3: 0.96 <3w: 0.917 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 6 Recall: 0.875 Precision: all: 0.762 allw: 0.931 <3: 0.96 <3w: 0.916 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 7 Recall: 0.861 Precision: all: 0.757 allw: 0.923 <3: 0.96 <3w: 0.904 F-measure:(Recall,Precision) 0.806 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.949 Model 8 Recall: 0.872 Precision: all: 0.758 allw: 0.919 <3: 0.961 <3w: 0.916 F-measure:(Recall,Precision) 0.811 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.956 Model 9 Recall: 0.869 Precision: all: 0.765 allw: 0.93 <3: 0.959 <3w: 0.916 F-measure:(Recall,Precision) 0.814 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 10 Recall: 0.876 Precision: all: 0.747 allw: 0.926 <3: 0.961 <3w: 0.917 F-measure:(Recall,Precision) 0.806 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.957 Model 11 Recall: 0.877 Precision: all: 0.747 allw: 0.925 <3: 0.961 <3w: 0.917 F-measure:(Recall,Precision) 0.807 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.957 Model 12 Recall: 0.859 Precision: all: 0.762 allw: 0.93 <3: 0.959 <3w: 0.915 F-measure:(Recall,Precision) 0.807 F-measure:(Recall,PrecisionW) 0.893 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 13 Recall: 0.864 Precision: all: 0.756 allw: 0.93 <3: 0.959 <3w: 0.917 F-measure:(Recall,Precision) 0.806 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 14 Recall: 0.871 Precision: all: 0.765 allw: 0.931 <3: 0.959 <3w: 0.916 F-measure:(Recall,Precision) 0.815 F-measure:(Recall,PrecisionW) 0.9 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 15 Recall: 0.873 Precision: all: 0.755 allw: 0.932 <3: 0.959 <3w: 0.905 F-measure:(Recall,Precision) 0.809 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.95 Model 16 Recall: 0.869 Precision: all: 0.748 allw: 0.923 <3: 0.961 <3w: 0.918 F-measure:(Recall,Precision) 0.804 F-measure:(Recall,PrecisionW) 0.895 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.957 Model 17 Recall: 0.882 Precision: all: 0.763 allw: 0.928 <3: 0.96 <3w: 0.917 F-measure:(Recall,Precision) 0.819 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 Model 18 Recall: 0.875 Precision: all: 0.751 allw: 0.929 <3: 0.96 <3w: 0.916 F-measure:(Recall,Precision) 0.808 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.98 F-measure:(0,PrecisionIdealW) 0.956 Model 19 Recall: 0.878 Precision: all: 0.763 allw: 0.933 <3: 0.959 <3w: 0.916 F-measure:(Recall,Precision) 0.817 F-measure:(Recall,PrecisionW) 0.905 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.956 Model 20 Recall: 0.872 Precision: all: 0.747 allw: 0.91 <3: 0.96 <3w: 0.917 F-measure:(Recall,Precision) 0.805 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.979 F-measure:(0,PrecisionIdealW) 0.957 For freely-rotating-chain model: Model ave Inconsistent score: 0.422(498/1180) Model ave Missing interactions: 0.146 (104/714) weighted: 0.0858 (3.45e+04/4.03e+05) <3: 0.0432 (6/139) <3w: 0.0745 (1.67e+04/2.24e+05) Recall: 0.578 Precision: all: 0.854 allw: 0.914 F-measure:(RecallFree,PrecisionFree) 0.689 F-measure:(ReallFree,PrecisionFreeW) 0.708 # Summary for c_aro.peaks Total simulated peaks: 9 Number of peaks NOT matched in the Peak List: 1 M score = 0.11 Average shift in HX: 0 Average ab-shift in HX: 0(Assignment used: 4) Average shift in X: 0 Average ab-shift in X: 0(Assignment used: 4) Average shift in HX2: -0.0026 Average ab-shift in HX2: 0.0044(Assignment used: 8) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.19(32/168) Model 1 Inconsistent score: 0.155(26/168) Model 2 Inconsistent score: 0.161(27/168) Model 3 Inconsistent score: 0.125(21/168) Model 4 Inconsistent score: 0.155(26/168) Model 5 Inconsistent score: 0.137(23/168) Model 6 Inconsistent score: 0.196(33/168) Model 7 Inconsistent score: 0.179(30/168) Model 8 Inconsistent score: 0.113(19/168) Model 9 Inconsistent score: 0.19(32/168) Model 10 Inconsistent score: 0.149(25/168) Model 11 Inconsistent score: 0.155(26/168) Model 12 Inconsistent score: 0.149(25/168) Model 13 Inconsistent score: 0.125(21/168) Model 14 Inconsistent score: 0.137(23/168) Model 15 Inconsistent score: 0.149(25/168) Model 16 Inconsistent score: 0.155(26/168) Model 17 Inconsistent score: 0.149(25/168) Model 18 Inconsistent score: 0.149(25/168) Model 19 Inconsistent score: 0.173(29/168) Model 20 Inconsistent score: 0.143(24/168) Model ave Missing interactions: 0.344 (89/259) weighted: 0.192 (4.02e+04/2.09e+05) <3: 0.667 (2/3) <3w: 0.414 (342/825) Model 1 Missing interactions: 0.401 (118/294) weighted: 0.202 (7.72e+04/3.82e+05) <3: 0.667 (2/3) <3w: 0.477 (344/722) Model 2 Missing interactions: 0.383 (116/303) weighted: 0.138 (5.48e+04/3.97e+05) <3: 0.5 (2/4) <3w: 0.377 (344/912) Model 3 Missing interactions: 0.386 (123/319) weighted: 0.215 (8.07e+04/3.75e+05) <3: 0.5 (2/4) <3w: 0.462 (344/746) Model 4 Missing interactions: 0.387 (110/284) weighted: 0.151 (5.54e+04/3.67e+05) <3: 0.5 (2/4) <3w: 0.378 (344/912) Model 5 Missing interactions: 0.379 (111/293) weighted: 0.192 (7.83e+04/4.07e+05) <3: 0.667 (2/3) <3w: 0.289 (344/1.19e+03) Model 6 Missing interactions: 0.387 (109/282) weighted: 0.215 (8.01e+04/3.73e+05) <3: 0.667 (2/3) <3w: 0.379 (344/907) Model 7 Missing interactions: 0.408 (126/309) weighted: 0.2 (7.76e+04/3.89e+05) <3: 0.667 (2/3) <3w: 0.396 (344/870) Model 8 Missing interactions: 0.377 (110/292) weighted: 0.162 (6.6e+04/4.07e+05) <3: 0.667 (2/3) <3w: 0.367 (344/937) Model 9 Missing interactions: 0.404 (112/277) weighted: 0.185 (6.49e+04/3.51e+05) <3: 0.667 (2/3) <3w: 0.312 (344/1.1e+03) Model 10 Missing interactions: 0.417 (126/302) weighted: 0.166 (6.53e+04/3.93e+05) <3: 0.667 (2/3) <3w: 0.396 (339/856) Model 11 Missing interactions: 0.39 (115/295) weighted: 0.193 (7.64e+04/3.96e+05) <3: 0.667 (2/3) <3w: 0.412 (344/835) Model 12 Missing interactions: 0.406 (123/303) weighted: 0.172 (5.77e+04/3.36e+05) <3: 0.5 (2/4) <3w: 0.362 (344/951) Model 13 Missing interactions: 0.37 (112/303) weighted: 0.122 (4.78e+04/3.93e+05) <3: 0.5 (2/4) <3w: 0.332 (344/1.04e+03) Model 14 Missing interactions: 0.377 (109/289) weighted: 0.138 (5.1e+04/3.7e+05) <3: 0.667 (2/3) <3w: 0.355 (344/969) Model 15 Missing interactions: 0.403 (124/308) weighted: 0.152 (5.87e+04/3.87e+05) <3: 0.5 (2/4) <3w: 0.37 (344/932) Model 16 Missing interactions: 0.371 (111/299) weighted: 0.158 (6.26e+04/3.95e+05) <3: 0.5 (2/4) <3w: 0.335 (344/1.03e+03) Model 17 Missing interactions: 0.399 (119/298) weighted: 0.183 (6.65e+04/3.63e+05) <3: 0.667 (2/3) <3w: 0.328 (339/1.03e+03) Model 18 Missing interactions: 0.391 (115/294) weighted: 0.15 (5.46e+04/3.64e+05) <3: 0.5 (2/4) <3w: 0.368 (344/935) Model 19 Missing interactions: 0.396 (116/293) weighted: 0.191 (7.36e+04/3.87e+05) <3: 0.667 (2/3) <3w: 0.297 (339/1.14e+03) Model 20 Missing interactions: 0.372 (115/309) weighted: 0.154 (6.3e+04/4.08e+05) <3: 0.667 (2/3) <3w: 0.412 (344/835) Model ave Recall: 0.81 Precision: all: 0.656 allw: 0.808 <3: 0.333 <3w: 0.586 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.809 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.739 Model 1 Recall: 0.845 Precision: all: 0.599 allw: 0.798 <3: 0.333 <3w: 0.523 F-measure:(Recall,Precision) 0.701 F-measure:(Recall,PrecisionW) 0.821 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.687 Model 2 Recall: 0.839 Precision: all: 0.617 allw: 0.862 <3: 0.5 <3w: 0.623 F-measure:(Recall,Precision) 0.711 F-measure:(Recall,PrecisionW) 0.85 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.767 Model 3 Recall: 0.875 Precision: all: 0.614 allw: 0.785 <3: 0.5 <3w: 0.538 F-measure:(Recall,Precision) 0.722 F-measure:(Recall,PrecisionW) 0.827 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.7 Model 4 Recall: 0.845 Precision: all: 0.613 allw: 0.849 <3: 0.5 <3w: 0.622 F-measure:(Recall,Precision) 0.71 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.767 Model 5 Recall: 0.863 Precision: all: 0.621 allw: 0.808 <3: 0.333 <3w: 0.711 F-measure:(Recall,Precision) 0.722 F-measure:(Recall,PrecisionW) 0.834 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.831 Model 6 Recall: 0.804 Precision: all: 0.613 allw: 0.785 <3: 0.333 <3w: 0.621 F-measure:(Recall,Precision) 0.696 F-measure:(Recall,PrecisionW) 0.794 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.766 Model 7 Recall: 0.821 Precision: all: 0.592 allw: 0.8 <3: 0.333 <3w: 0.604 F-measure:(Recall,Precision) 0.688 F-measure:(Recall,PrecisionW) 0.811 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.753 Model 8 Recall: 0.887 Precision: all: 0.623 allw: 0.838 <3: 0.333 <3w: 0.633 F-measure:(Recall,Precision) 0.732 F-measure:(Recall,PrecisionW) 0.862 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.775 Model 9 Recall: 0.81 Precision: all: 0.596 allw: 0.815 <3: 0.333 <3w: 0.688 F-measure:(Recall,Precision) 0.686 F-measure:(Recall,PrecisionW) 0.812 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.815 Model 10 Recall: 0.851 Precision: all: 0.583 allw: 0.834 <3: 0.333 <3w: 0.604 F-measure:(Recall,Precision) 0.692 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.753 Model 11 Recall: 0.845 Precision: all: 0.61 allw: 0.807 <3: 0.333 <3w: 0.588 F-measure:(Recall,Precision) 0.709 F-measure:(Recall,PrecisionW) 0.826 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.741 Model 12 Recall: 0.851 Precision: all: 0.594 allw: 0.828 <3: 0.5 <3w: 0.638 F-measure:(Recall,Precision) 0.7 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.779 Model 13 Recall: 0.875 Precision: all: 0.63 allw: 0.878 <3: 0.5 <3w: 0.668 F-measure:(Recall,Precision) 0.733 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.801 Model 14 Recall: 0.863 Precision: all: 0.623 allw: 0.862 <3: 0.333 <3w: 0.645 F-measure:(Recall,Precision) 0.724 F-measure:(Recall,PrecisionW) 0.863 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.784 Model 15 Recall: 0.851 Precision: all: 0.597 allw: 0.848 <3: 0.5 <3w: 0.63 F-measure:(Recall,Precision) 0.702 F-measure:(Recall,PrecisionW) 0.85 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.773 Model 16 Recall: 0.845 Precision: all: 0.629 allw: 0.842 <3: 0.5 <3w: 0.665 F-measure:(Recall,Precision) 0.721 F-measure:(Recall,PrecisionW) 0.843 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.799 Model 17 Recall: 0.851 Precision: all: 0.601 allw: 0.817 <3: 0.333 <3w: 0.672 F-measure:(Recall,Precision) 0.704 F-measure:(Recall,PrecisionW) 0.834 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.804 Model 18 Recall: 0.851 Precision: all: 0.609 allw: 0.85 <3: 0.5 <3w: 0.632 F-measure:(Recall,Precision) 0.71 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 0.667 F-measure:(0,PrecisionIdealW) 0.775 Model 19 Recall: 0.827 Precision: all: 0.604 allw: 0.809 <3: 0.333 <3w: 0.703 F-measure:(Recall,Precision) 0.698 F-measure:(Recall,PrecisionW) 0.818 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.826 Model 20 Recall: 0.857 Precision: all: 0.628 allw: 0.846 <3: 0.333 <3w: 0.588 F-measure:(Recall,Precision) 0.725 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 0.5 F-measure:(0,PrecisionIdealW) 0.741 For freely-rotating-chain model: Model ave Inconsistent score: 0.821(138/168) Model ave Missing interactions: 0.459 (17/37) weighted: 0.498 (3.37e+03/6.76e+03) <3: 1 (2/2) <3w: 1 (1.86e+03/1.86e+03) Recall: 0.179 Precision: all: 0.541 allw: 0.502 F-measure:(RecallFree,PrecisionFree) 0.268 F-measure:(ReallFree,PrecisionFreeW) 0.263 # Summary for c_ali.peaks Total simulated peaks: 608 Number of peaks NOT matched in the Peak List: 125 M score = 0.21 Average shift in HX: 0.00018 Average ab-shift in HX: 0.00036(Assignment used: 247) Average shift in X: 0.0021 Average ab-shift in X: 0.0049(Assignment used: 197) Average shift in HX2: -0.0043 Average ab-shift in HX2: 0.0075(Assignment used: 271) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.116(310/2670) Model 1 Inconsistent score: 0.115(307/2670) Model 2 Inconsistent score: 0.119(319/2670) Model 3 Inconsistent score: 0.109(292/2670) Model 4 Inconsistent score: 0.111(297/2670) Model 5 Inconsistent score: 0.102(273/2670) Model 6 Inconsistent score: 0.117(312/2670) Model 7 Inconsistent score: 0.107(287/2670) Model 8 Inconsistent score: 0.107(287/2670) Model 9 Inconsistent score: 0.114(305/2670) Model 10 Inconsistent score: 0.109(292/2670) Model 11 Inconsistent score: 0.111(297/2670) Model 12 Inconsistent score: 0.113(303/2670) Model 13 Inconsistent score: 0.113(302/2670) Model 14 Inconsistent score: 0.107(285/2670) Model 15 Inconsistent score: 0.12(320/2670) Model 16 Inconsistent score: 0.119(318/2670) Model 17 Inconsistent score: 0.11(295/2670) Model 18 Inconsistent score: 0.113(301/2670) Model 19 Inconsistent score: 0.115(308/2670) Model 20 Inconsistent score: 0.11(294/2670) Model ave Missing interactions: 0.396 (1.56e+03/3928) weighted: 0.187 (1.69e+06/9.03e+06) <3: 0.173 (85/490) <3w: 0.137 (6.3e+05/4.6e+06) Model 1 Missing interactions: 0.424 (1.82e+03/4295) weighted: 0.205 (2.34e+06/1.14e+07) <3: 0.172 (85/493) <3w: 0.137 (6.59e+05/4.8e+06) Model 2 Missing interactions: 0.426 (1.8e+03/4226) weighted: 0.204 (2.31e+06/1.13e+07) <3: 0.173 (85/491) <3w: 0.13 (6.04e+05/4.65e+06) Model 3 Missing interactions: 0.425 (1.83e+03/4318) weighted: 0.201 (2.31e+06/1.15e+07) <3: 0.173 (85/490) <3w: 0.135 (6.39e+05/4.73e+06) Model 4 Missing interactions: 0.418 (1.8e+03/4299) weighted: 0.204 (2.36e+06/1.16e+07) <3: 0.173 (85/491) <3w: 0.137 (6.56e+05/4.79e+06) Model 5 Missing interactions: 0.423 (1.81e+03/4286) weighted: 0.196 (2.2e+06/1.12e+07) <3: 0.172 (85/493) <3w: 0.141 (6.76e+05/4.8e+06) Model 6 Missing interactions: 0.42 (1.76e+03/4188) weighted: 0.207 (2.34e+06/1.13e+07) <3: 0.172 (85/493) <3w: 0.135 (6.36e+05/4.69e+06) Model 7 Missing interactions: 0.424 (1.83e+03/4311) weighted: 0.199 (2.26e+06/1.14e+07) <3: 0.172 (85/493) <3w: 0.136 (6.43e+05/4.74e+06) Model 8 Missing interactions: 0.421 (1.8e+03/4270) weighted: 0.199 (2.26e+06/1.14e+07) <3: 0.171 (85/498) <3w: 0.138 (6.51e+05/4.7e+06) Model 9 Missing interactions: 0.424 (1.8e+03/4247) weighted: 0.201 (2.26e+06/1.13e+07) <3: 0.173 (85/491) <3w: 0.138 (6.45e+05/4.69e+06) Model 10 Missing interactions: 0.434 (1.9e+03/4386) weighted: 0.207 (2.3e+06/1.11e+07) <3: 0.171 (85/496) <3w: 0.14 (6.68e+05/4.77e+06) Model 11 Missing interactions: 0.426 (1.85e+03/4344) weighted: 0.204 (2.35e+06/1.15e+07) <3: 0.171 (85/496) <3w: 0.14 (6.66e+05/4.77e+06) Model 12 Missing interactions: 0.421 (1.77e+03/4217) weighted: 0.198 (2.21e+06/1.11e+07) <3: 0.173 (85/491) <3w: 0.139 (6.52e+05/4.7e+06) Model 13 Missing interactions: 0.422 (1.78e+03/4222) weighted: 0.204 (2.26e+06/1.11e+07) <3: 0.174 (85/489) <3w: 0.137 (6.53e+05/4.76e+06) Model 14 Missing interactions: 0.419 (1.79e+03/4274) weighted: 0.201 (2.31e+06/1.15e+07) <3: 0.173 (85/491) <3w: 0.135 (6.5e+05/4.81e+06) Model 15 Missing interactions: 0.428 (1.82e+03/4249) weighted: 0.209 (2.39e+06/1.15e+07) <3: 0.173 (85/490) <3w: 0.137 (6.61e+05/4.81e+06) Model 16 Missing interactions: 0.431 (1.87e+03/4333) weighted: 0.209 (2.35e+06/1.12e+07) <3: 0.171 (85/496) <3w: 0.14 (6.61e+05/4.71e+06) Model 17 Missing interactions: 0.421 (1.8e+03/4280) weighted: 0.194 (2.21e+06/1.14e+07) <3: 0.172 (85/493) <3w: 0.136 (6.56e+05/4.84e+06) Model 18 Missing interactions: 0.421 (1.79e+03/4264) weighted: 0.205 (2.33e+06/1.14e+07) <3: 0.172 (85/493) <3w: 0.136 (6.42e+05/4.71e+06) Model 19 Missing interactions: 0.424 (1.81e+03/4283) weighted: 0.207 (2.39e+06/1.15e+07) <3: 0.173 (85/491) <3w: 0.136 (6.39e+05/4.71e+06) Model 20 Missing interactions: 0.427 (1.87e+03/4377) weighted: 0.221 (2.59e+06/1.17e+07) <3: 0.172 (85/493) <3w: 0.135 (6.42e+05/4.76e+06) Model ave Recall: 0.884 Precision: all: 0.604 allw: 0.813 <3: 0.827 <3w: 0.863 F-measure:(Recall,Precision) 0.717 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.926 Model 1 Recall: 0.885 Precision: all: 0.576 allw: 0.795 <3: 0.828 <3w: 0.863 F-measure:(Recall,Precision) 0.698 F-measure:(Recall,PrecisionW) 0.838 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.926 Model 2 Recall: 0.881 Precision: all: 0.574 allw: 0.796 <3: 0.827 <3w: 0.87 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.836 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.931 Model 3 Recall: 0.891 Precision: all: 0.575 allw: 0.799 <3: 0.827 <3w: 0.865 F-measure:(Recall,Precision) 0.699 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.928 Model 4 Recall: 0.889 Precision: all: 0.582 allw: 0.796 <3: 0.827 <3w: 0.863 F-measure:(Recall,Precision) 0.703 F-measure:(Recall,PrecisionW) 0.84 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 Model 5 Recall: 0.898 Precision: all: 0.577 allw: 0.804 <3: 0.828 <3w: 0.859 F-measure:(Recall,Precision) 0.702 F-measure:(Recall,PrecisionW) 0.848 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.924 Model 6 Recall: 0.883 Precision: all: 0.58 allw: 0.793 <3: 0.828 <3w: 0.865 F-measure:(Recall,Precision) 0.7 F-measure:(Recall,PrecisionW) 0.836 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.927 Model 7 Recall: 0.893 Precision: all: 0.576 allw: 0.801 <3: 0.828 <3w: 0.864 F-measure:(Recall,Precision) 0.7 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.927 Model 8 Recall: 0.893 Precision: all: 0.579 allw: 0.801 <3: 0.829 <3w: 0.862 F-measure:(Recall,Precision) 0.703 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 0.907 F-measure:(0,PrecisionIdealW) 0.926 Model 9 Recall: 0.886 Precision: all: 0.576 allw: 0.799 <3: 0.827 <3w: 0.862 F-measure:(Recall,Precision) 0.698 F-measure:(Recall,PrecisionW) 0.84 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.926 Model 10 Recall: 0.891 Precision: all: 0.566 allw: 0.793 <3: 0.829 <3w: 0.86 F-measure:(Recall,Precision) 0.692 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.925 Model 11 Recall: 0.889 Precision: all: 0.574 allw: 0.796 <3: 0.829 <3w: 0.86 F-measure:(Recall,Precision) 0.698 F-measure:(Recall,PrecisionW) 0.84 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.925 Model 12 Recall: 0.887 Precision: all: 0.579 allw: 0.802 <3: 0.827 <3w: 0.861 F-measure:(Recall,Precision) 0.701 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.925 Model 13 Recall: 0.887 Precision: all: 0.578 allw: 0.796 <3: 0.826 <3w: 0.863 F-measure:(Recall,Precision) 0.7 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.926 Model 14 Recall: 0.893 Precision: all: 0.581 allw: 0.799 <3: 0.827 <3w: 0.865 F-measure:(Recall,Precision) 0.704 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.928 Model 15 Recall: 0.88 Precision: all: 0.572 allw: 0.791 <3: 0.827 <3w: 0.863 F-measure:(Recall,Precision) 0.694 F-measure:(Recall,PrecisionW) 0.833 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.926 Model 16 Recall: 0.881 Precision: all: 0.569 allw: 0.791 <3: 0.829 <3w: 0.86 F-measure:(Recall,Precision) 0.691 F-measure:(Recall,PrecisionW) 0.833 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.925 Model 17 Recall: 0.89 Precision: all: 0.579 allw: 0.806 <3: 0.828 <3w: 0.864 F-measure:(Recall,Precision) 0.702 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.927 Model 18 Recall: 0.887 Precision: all: 0.579 allw: 0.795 <3: 0.828 <3w: 0.864 F-measure:(Recall,Precision) 0.701 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.927 Model 19 Recall: 0.885 Precision: all: 0.576 allw: 0.793 <3: 0.827 <3w: 0.864 F-measure:(Recall,Precision) 0.698 F-measure:(Recall,PrecisionW) 0.836 F-measure:(0,PrecisionIdeal) 0.905 F-measure:(0,PrecisionIdealW) 0.927 Model 20 Recall: 0.89 Precision: all: 0.573 allw: 0.779 <3: 0.828 <3w: 0.865 F-measure:(Recall,Precision) 0.697 F-measure:(Recall,PrecisionW) 0.831 F-measure:(0,PrecisionIdeal) 0.906 F-measure:(0,PrecisionIdealW) 0.928 For freely-rotating-chain model: Model ave Inconsistent score: 0.506(1352/2670) Model ave Missing interactions: 0.373 (598/1603) weighted: 0.245 (2.88e+05/1.18e+06) <3: 0.176 (85/484) <3w: 0.202 (1.62e+05/8e+05) Recall: 0.494 Precision: all: 0.627 allw: 0.755 F-measure:(RecallFree,PrecisionFree) 0.552 F-measure:(ReallFree,PrecisionFreeW) 0.597 Final M-score 0.178 134/753 Model ave Final Recall-score for input query structures: 0.876 Final Precision-score for input query structures: 0.845 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.87 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.86 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.773 Model 1 Final Recall-score for input query structures: 0.877 Final Precision-score for input query structures: 0.827 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.871 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.851 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.744 Model 2 Final Recall-score for input query structures: 0.876 Final Precision-score for input query structures: 0.831 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.877 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.934 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.744 Model 3 Final Recall-score for input query structures: 0.885 Final Precision-score for input query structures: 0.83 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.872 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.857 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.761 Model 4 Final Recall-score for input query structures: 0.884 Final Precision-score for input query structures: 0.83 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.871 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.856 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.76 Model 5 Final Recall-score for input query structures: 0.889 Final Precision-score for input query structures: 0.835 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.868 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.861 F-score of ideal true structures: 0.929 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.781 Model 6 Final Recall-score for input query structures: 0.877 Final Precision-score for input query structures: 0.826 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.872 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.851 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.742 Model 7 Final Recall-score for input query structures: 0.88 Final Precision-score for input query structures: 0.83 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.87 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.854 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.754 Model 8 Final Recall-score for input query structures: 0.886 Final Precision-score for input query structures: 0.831 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.87 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.858 F-score of ideal true structures: 0.93 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.769 Model 9 Final Recall-score for input query structures: 0.878 Final Precision-score for input query structures: 0.832 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.871 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.854 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.754 Model 10 Final Recall-score for input query structures: 0.885 Final Precision-score for input query structures: 0.826 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.869 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.854 F-score of ideal true structures: 0.93 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.756 Model 11 Final Recall-score for input query structures: 0.884 Final Precision-score for input query structures: 0.828 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.869 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.855 F-score of ideal true structures: 0.93 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.76 Model 12 Final Recall-score for input query structures: 0.877 Final Precision-score for input query structures: 0.834 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.869 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.855 F-score of ideal true structures: 0.93 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.76 Model 13 Final Recall-score for input query structures: 0.88 Final Precision-score for input query structures: 0.831 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.871 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.855 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.757 Model 14 Final Recall-score for input query structures: 0.886 Final Precision-score for input query structures: 0.832 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.873 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.858 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.764 Model 15 Final Recall-score for input query structures: 0.877 Final Precision-score for input query structures: 0.826 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.869 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.851 F-score of ideal true structures: 0.93 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.747 Model 16 Final Recall-score for input query structures: 0.876 Final Precision-score for input query structures: 0.825 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.869 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.85 F-score of ideal true structures: 0.93 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.744 Model 17 Final Recall-score for input query structures: 0.886 Final Precision-score for input query structures: 0.836 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.872 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.86 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.771 Model 18 Final Recall-score for input query structures: 0.882 Final Precision-score for input query structures: 0.828 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.872 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.854 F-score of ideal true structures: 0.931 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.754 Model 19 Final Recall-score for input query structures: 0.88 Final Precision-score for input query structures: 0.828 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.872 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.748 Model 20 Final Recall-score for input query structures: 0.883 Final Precision-score for input query structures: 0.811 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.873 Final Recall-score for freely-rotating-chain model: 0.505 Final Precision-score for freely-rotating-chain model: 0.795 Summary: F-score of input query structures: 0.846 F-score of ideal true structures: 0.932 F-score of freely-rotating-chain model: 0.618 DP-Score: 0.726 Statistics: =========== NOESY_Assign: User CPU Time: 64.9 sec. Syst CPU Time: 0.66 sec. Other Processes: User CPU Time: 0.64 sec. Syst CPU Time: 0.05 sec. Total Elapsed Time: 66.3 sec.