# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 19:22:32 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SGR145_R3_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SGR145_R3_em_bcr3.pdb.iupac # Summary for c6-cycle7.peaks Total simulated peaks: 78 Number of peaks NOT matched in the Peak List: 14 M score = 0.18 Average shift in HX: 0.00024 Average ab-shift in HX: 0.0043(Assignment used: 62) Average shift in X: 0.005 Average ab-shift in X: 0.061(Assignment used: 62) Average shift in HX2: 0.0078 Average ab-shift in HX2: 0.012(Assignment used: 39) #For peaklist c6-cycle7.peaks: Rmax: 5 Model ave Inconsistent score: 0.224(187/833) Model 1 Inconsistent score: 0.214(178/833) Model 2 Inconsistent score: 0.214(178/833) Model 3 Inconsistent score: 0.23(192/833) Model 4 Inconsistent score: 0.217(181/833) Model 5 Inconsistent score: 0.22(183/833) Model 6 Inconsistent score: 0.212(177/833) Model 7 Inconsistent score: 0.211(176/833) Model 8 Inconsistent score: 0.228(190/833) Model 9 Inconsistent score: 0.211(176/833) Model 10 Inconsistent score: 0.22(183/833) Model 11 Inconsistent score: 0.208(173/833) Model 12 Inconsistent score: 0.218(182/833) Model 13 Inconsistent score: 0.211(176/833) Model 14 Inconsistent score: 0.206(172/833) Model 15 Inconsistent score: 0.229(191/833) Model 16 Inconsistent score: 0.212(177/833) Model 17 Inconsistent score: 0.208(173/833) Model 18 Inconsistent score: 0.206(172/833) Model 19 Inconsistent score: 0.218(182/833) Model 20 Inconsistent score: 0.209(174/833) Model ave Missing interactions: 0.165 (65/395) weighted: 0.0524 (2.71e+04/5.17e+05) <3: 0 (0/16) <3w: 0 (0/2.35e+05) Model 1 Missing interactions: 0.193 (82/425) weighted: 0.0597 (5.62e+04/9.41e+05) <3: 0 (0/16) <3w: 0 (0/2.39e+05) Model 2 Missing interactions: 0.205 (90/440) weighted: 0.0814 (6.95e+04/8.53e+05) <3: 0 (0/16) <3w: 0 (0/2.39e+05) Model 3 Missing interactions: 0.181 (73/404) weighted: 0.0663 (5.65e+04/8.52e+05) <3: 0 (0/16) <3w: 0 (0/2.44e+05) Model 4 Missing interactions: 0.196 (85/434) weighted: 0.122 (1.18e+05/9.68e+05) <3: 0 (0/16) <3w: 0 (0/2.5e+05) Model 5 Missing interactions: 0.2 (86/431) weighted: 0.104 (8.59e+04/8.29e+05) <3: 0 (0/16) <3w: 0 (0/2.33e+05) Model 6 Missing interactions: 0.181 (79/436) weighted: 0.0786 (7.29e+04/9.28e+05) <3: 0 (0/16) <3w: 0 (0/2.31e+05) Model 7 Missing interactions: 0.191 (84/439) weighted: 0.0815 (7.77e+04/9.54e+05) <3: 0 (0/16) <3w: 0 (0/2.33e+05) Model 8 Missing interactions: 0.167 (68/406) weighted: 0.1 (8.58e+04/8.57e+05) <3: 0 (0/16) <3w: 0 (0/2.5e+05) Model 9 Missing interactions: 0.188 (82/437) weighted: 0.0668 (5.91e+04/8.84e+05) <3: 0 (0/16) <3w: 0 (0/2.42e+05) Model 10 Missing interactions: 0.182 (80/440) weighted: 0.106 (1.09e+05/1.03e+06) <3: 0 (0/16) <3w: 0 (0/2.59e+05) Model 11 Missing interactions: 0.178 (77/433) weighted: 0.0861 (7.91e+04/9.18e+05) <3: 0 (0/16) <3w: 0 (0/2.41e+05) Model 12 Missing interactions: 0.196 (83/423) weighted: 0.0556 (5.06e+04/9.1e+05) <3: 0 (0/16) <3w: 0 (0/2.37e+05) Model 13 Missing interactions: 0.18 (74/412) weighted: 0.0796 (6.7e+04/8.42e+05) <3: 0 (0/16) <3w: 0 (0/2.36e+05) Model 14 Missing interactions: 0.194 (84/433) weighted: 0.0781 (7.52e+04/9.63e+05) <3: 0 (0/16) <3w: 0 (0/2.4e+05) Model 15 Missing interactions: 0.197 (82/417) weighted: 0.128 (1.21e+05/9.47e+05) <3: 0 (0/16) <3w: 0 (0/2.38e+05) Model 16 Missing interactions: 0.199 (88/443) weighted: 0.0827 (7.42e+04/8.97e+05) <3: 0 (0/16) <3w: 0 (0/2.28e+05) Model 17 Missing interactions: 0.2 (88/439) weighted: 0.0815 (7.77e+04/9.53e+05) <3: 0 (0/16) <3w: 0 (0/2.39e+05) Model 18 Missing interactions: 0.198 (86/434) weighted: 0.0814 (6.74e+04/8.27e+05) <3: 0 (0/16) <3w: 0 (0/2.29e+05) Model 19 Missing interactions: 0.189 (84/444) weighted: 0.076 (7.1e+04/9.34e+05) <3: 0 (0/16) <3w: 0 (0/2.45e+05) Model 20 Missing interactions: 0.189 (81/429) weighted: 0.0953 (8.7e+04/9.13e+05) <3: 0 (0/16) <3w: 0 (0/2.35e+05) Model ave Recall: 0.776 Precision: all: 0.835 allw: 0.948 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.804 F-measure:(Recall,PrecisionW) 0.853 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.786 Precision: all: 0.807 allw: 0.94 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.797 F-measure:(Recall,PrecisionW) 0.856 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.786 Precision: all: 0.795 allw: 0.919 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.791 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.77 Precision: all: 0.819 allw: 0.934 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.783 Precision: all: 0.804 allw: 0.878 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.793 F-measure:(Recall,PrecisionW) 0.827 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.78 Precision: all: 0.8 allw: 0.896 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.79 F-measure:(Recall,PrecisionW) 0.834 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.788 Precision: all: 0.819 allw: 0.921 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.803 F-measure:(Recall,PrecisionW) 0.849 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.789 Precision: all: 0.809 allw: 0.919 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.799 F-measure:(Recall,PrecisionW) 0.849 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.772 Precision: all: 0.833 allw: 0.9 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.801 F-measure:(Recall,PrecisionW) 0.831 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.789 Precision: all: 0.812 allw: 0.933 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.8 F-measure:(Recall,PrecisionW) 0.855 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.78 Precision: all: 0.818 allw: 0.894 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.799 F-measure:(Recall,PrecisionW) 0.833 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.792 Precision: all: 0.822 allw: 0.914 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.807 F-measure:(Recall,PrecisionW) 0.849 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.782 Precision: all: 0.804 allw: 0.944 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.792 F-measure:(Recall,PrecisionW) 0.855 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.789 Precision: all: 0.82 allw: 0.92 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.804 F-measure:(Recall,PrecisionW) 0.85 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.794 Precision: all: 0.806 allw: 0.922 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.8 F-measure:(Recall,PrecisionW) 0.853 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.771 Precision: all: 0.803 allw: 0.872 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.787 F-measure:(Recall,PrecisionW) 0.818 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.788 Precision: all: 0.801 allw: 0.917 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.794 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.792 Precision: all: 0.8 allw: 0.918 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.794 Precision: all: 0.802 allw: 0.919 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.798 F-measure:(Recall,PrecisionW) 0.851 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.782 Precision: all: 0.811 allw: 0.924 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.791 Precision: all: 0.811 allw: 0.905 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.801 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.766(638/833) Model ave Missing interactions: 0.0635 (4/63) weighted: 0.00925 (303/3.28e+04) <3: 0 (0/16) <3w: 0 (0/2.92e+04) Recall: 0.234 Precision: all: 0.937 allw: 0.991 F-measure:(RecallFree,PrecisionFree) 0.375 F-measure:(ReallFree,PrecisionFreeW) 0.379 # Summary for n6-cycle7.peaks Total simulated peaks: 75 Number of peaks NOT matched in the Peak List: 8 M score = 0.11 Average shift in HX: 0.0061 Average ab-shift in HX: 0.0063(Assignment used: 27) Average shift in X: 0.045 Average ab-shift in X: 0.051(Assignment used: 27) Average shift in HX2: -9.1e-12 Average ab-shift in HX2: 0.0064(Assignment used: 51) #For peaklist n6-cycle7.peaks: Rmax: 5 Model ave Inconsistent score: 0.378(538/1424) Model 1 Inconsistent score: 0.348(496/1424) Model 2 Inconsistent score: 0.341(485/1424) Model 3 Inconsistent score: 0.348(495/1424) Model 4 Inconsistent score: 0.35(499/1424) Model 5 Inconsistent score: 0.343(489/1424) Model 6 Inconsistent score: 0.348(495/1424) Model 7 Inconsistent score: 0.352(501/1424) Model 8 Inconsistent score: 0.355(506/1424) Model 9 Inconsistent score: 0.355(505/1424) Model 10 Inconsistent score: 0.349(497/1424) Model 11 Inconsistent score: 0.362(516/1424) Model 12 Inconsistent score: 0.357(509/1424) Model 13 Inconsistent score: 0.346(492/1424) Model 14 Inconsistent score: 0.348(495/1424) Model 15 Inconsistent score: 0.36(513/1424) Model 16 Inconsistent score: 0.345(491/1424) Model 17 Inconsistent score: 0.336(479/1424) Model 18 Inconsistent score: 0.341(486/1424) Model 19 Inconsistent score: 0.346(492/1424) Model 20 Inconsistent score: 0.348(495/1424) Model ave Missing interactions: 0.152 (96/631) weighted: 0.0367 (3.96e+04/1.08e+06) <3: 0 (0/10) <3w: 0 (0/5.9e+04) Model 1 Missing interactions: 0.163 (113/695) weighted: 0.0566 (7.15e+04/1.26e+06) <3: 0 (0/10) <3w: 0 (0/6.22e+04) Model 2 Missing interactions: 0.17 (119/698) weighted: 0.0544 (6.49e+04/1.19e+06) <3: 0 (0/10) <3w: 0 (0/6.27e+04) Model 3 Missing interactions: 0.174 (120/690) weighted: 0.0458 (6.09e+04/1.33e+06) <3: 0 (0/10) <3w: 0 (0/6.81e+04) Model 4 Missing interactions: 0.168 (113/674) weighted: 0.0464 (5.75e+04/1.24e+06) <3: 0 (0/10) <3w: 0 (0/7.39e+04) Model 5 Missing interactions: 0.179 (127/709) weighted: 0.041 (5.21e+04/1.27e+06) <3: 0 (0/10) <3w: 0 (0/5.64e+04) Model 6 Missing interactions: 0.169 (118/698) weighted: 0.0379 (5.24e+04/1.38e+06) <3: 0 (0/10) <3w: 0 (0/5.47e+04) Model 7 Missing interactions: 0.173 (118/683) weighted: 0.0414 (4.49e+04/1.08e+06) <3: 0 (0/10) <3w: 0 (0/5.67e+04) Model 8 Missing interactions: 0.186 (129/692) weighted: 0.075 (1.02e+05/1.36e+06) <3: 0 (0/10) <3w: 0 (0/7.34e+04) Model 9 Missing interactions: 0.167 (117/699) weighted: 0.0621 (7.1e+04/1.14e+06) <3: 0 (0/10) <3w: 0 (0/6.55e+04) Model 10 Missing interactions: 0.166 (115/692) weighted: 0.0434 (5e+04/1.15e+06) <3: 0 (0/10) <3w: 0 (0/8.23e+04) Model 11 Missing interactions: 0.189 (131/693) weighted: 0.078 (1.01e+05/1.3e+06) <3: 0 (0/10) <3w: 0 (0/6.47e+04) Model 12 Missing interactions: 0.185 (129/699) weighted: 0.0561 (7.65e+04/1.36e+06) <3: 0 (0/10) <3w: 0 (0/6.03e+04) Model 13 Missing interactions: 0.159 (110/690) weighted: 0.0536 (6.89e+04/1.29e+06) <3: 0 (0/10) <3w: 0 (0/5.95e+04) Model 14 Missing interactions: 0.171 (117/685) weighted: 0.036 (4.77e+04/1.33e+06) <3: 0 (0/10) <3w: 0 (0/6.35e+04) Model 15 Missing interactions: 0.159 (108/679) weighted: 0.0308 (4.12e+04/1.34e+06) <3: 0 (0/10) <3w: 0 (0/6.17e+04) Model 16 Missing interactions: 0.192 (139/723) weighted: 0.0477 (6.29e+04/1.32e+06) <3: 0 (0/10) <3w: 0 (0/5.21e+04) Model 17 Missing interactions: 0.184 (132/719) weighted: 0.0451 (5.06e+04/1.12e+06) <3: 0 (0/10) <3w: 0 (0/6.29e+04) Model 18 Missing interactions: 0.172 (121/702) weighted: 0.0495 (5.95e+04/1.2e+06) <3: 0 (0/10) <3w: 0 (0/5.22e+04) Model 19 Missing interactions: 0.183 (129/704) weighted: 0.0414 (5.56e+04/1.34e+06) <3: 0 (0/10) <3w: 0 (0/6.86e+04) Model 20 Missing interactions: 0.173 (123/711) weighted: 0.0573 (7.63e+04/1.33e+06) <3: 0 (0/10) <3w: 0 (0/5.83e+04) Model ave Recall: 0.622 Precision: all: 0.848 allw: 0.963 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.718 F-measure:(Recall,PrecisionW) 0.756 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.652 Precision: all: 0.837 allw: 0.943 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.733 F-measure:(Recall,PrecisionW) 0.771 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.659 Precision: all: 0.83 allw: 0.946 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.735 F-measure:(Recall,PrecisionW) 0.777 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.652 Precision: all: 0.826 allw: 0.954 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.729 F-measure:(Recall,PrecisionW) 0.775 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.65 Precision: all: 0.832 allw: 0.954 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.73 F-measure:(Recall,PrecisionW) 0.773 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.657 Precision: all: 0.821 allw: 0.959 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.73 F-measure:(Recall,PrecisionW) 0.779 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.652 Precision: all: 0.831 allw: 0.962 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.731 F-measure:(Recall,PrecisionW) 0.778 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.648 Precision: all: 0.827 allw: 0.959 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.727 F-measure:(Recall,PrecisionW) 0.773 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.645 Precision: all: 0.814 allw: 0.925 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.719 F-measure:(Recall,PrecisionW) 0.76 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.645 Precision: all: 0.833 allw: 0.938 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.727 F-measure:(Recall,PrecisionW) 0.765 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.651 Precision: all: 0.834 allw: 0.957 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.731 F-measure:(Recall,PrecisionW) 0.775 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.638 Precision: all: 0.811 allw: 0.922 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.714 F-measure:(Recall,PrecisionW) 0.754 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.643 Precision: all: 0.815 allw: 0.944 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.719 F-measure:(Recall,PrecisionW) 0.765 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.654 Precision: all: 0.841 allw: 0.946 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.736 F-measure:(Recall,PrecisionW) 0.774 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.652 Precision: all: 0.829 allw: 0.964 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.73 F-measure:(Recall,PrecisionW) 0.778 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.64 Precision: all: 0.841 allw: 0.969 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.727 F-measure:(Recall,PrecisionW) 0.771 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.655 Precision: all: 0.808 allw: 0.952 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.724 F-measure:(Recall,PrecisionW) 0.776 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.664 Precision: all: 0.816 allw: 0.955 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.732 F-measure:(Recall,PrecisionW) 0.783 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.659 Precision: all: 0.828 allw: 0.951 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.734 F-measure:(Recall,PrecisionW) 0.778 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.654 Precision: all: 0.817 allw: 0.959 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.727 F-measure:(Recall,PrecisionW) 0.778 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.652 Precision: all: 0.827 allw: 0.943 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.729 F-measure:(Recall,PrecisionW) 0.771 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.746(1063/1424) Model ave Missing interactions: 0.0822 (18/219) weighted: 0.0893 (4.57e+03/5.12e+04) <3: 0 (0/10) <3w: 0 (0/1.43e+03) Recall: 0.254 Precision: all: 0.918 allw: 0.911 F-measure:(RecallFree,PrecisionFree) 0.397 F-measure:(ReallFree,PrecisionFreeW) 0.397 Final M-score 0.144 22/153 Model ave Final Recall-score for input query structures: 0.679 Final Precision-score for input query structures: 0.958 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.795 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.663 Model 1 Final Recall-score for input query structures: 0.701 Final Precision-score for input query structures: 0.942 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.804 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.678 Model 2 Final Recall-score for input query structures: 0.706 Final Precision-score for input query structures: 0.934 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.804 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.678 Model 3 Final Recall-score for input query structures: 0.696 Final Precision-score for input query structures: 0.946 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.802 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.675 Model 4 Final Recall-score for input query structures: 0.699 Final Precision-score for input query structures: 0.92 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.794 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.662 Model 5 Final Recall-score for input query structures: 0.702 Final Precision-score for input query structures: 0.934 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.802 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.675 Model 6 Final Recall-score for input query structures: 0.702 Final Precision-score for input query structures: 0.946 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.806 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.681 Model 7 Final Recall-score for input query structures: 0.7 Final Precision-score for input query structures: 0.94 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.802 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.675 Model 8 Final Recall-score for input query structures: 0.692 Final Precision-score for input query structures: 0.915 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.788 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.652 Model 9 Final Recall-score for input query structures: 0.698 Final Precision-score for input query structures: 0.936 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.8 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.672 Model 10 Final Recall-score for input query structures: 0.699 Final Precision-score for input query structures: 0.927 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.797 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.667 Model 11 Final Recall-score for input query structures: 0.695 Final Precision-score for input query structures: 0.919 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.791 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.657 Model 12 Final Recall-score for input query structures: 0.694 Final Precision-score for input query structures: 0.944 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.8 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.672 Model 13 Final Recall-score for input query structures: 0.704 Final Precision-score for input query structures: 0.936 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.804 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.678 Model 14 Final Recall-score for input query structures: 0.704 Final Precision-score for input query structures: 0.946 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.808 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.685 Model 15 Final Recall-score for input query structures: 0.688 Final Precision-score for input query structures: 0.929 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.791 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.657 Model 16 Final Recall-score for input query structures: 0.704 Final Precision-score for input query structures: 0.938 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.804 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.678 Model 17 Final Recall-score for input query structures: 0.711 Final Precision-score for input query structures: 0.938 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.809 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.686 Model 18 Final Recall-score for input query structures: 0.708 Final Precision-score for input query structures: 0.938 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.807 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.683 Model 19 Final Recall-score for input query structures: 0.701 Final Precision-score for input query structures: 0.944 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.805 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.68 Model 20 Final Recall-score for input query structures: 0.704 Final Precision-score for input query structures: 0.927 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 1 Final Recall-score for freely-rotating-chain model: 0.246 Final Precision-score for freely-rotating-chain model: 0.942 Summary: F-score of input query structures: 0.8 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.391 DP-Score: 0.672 Statistics: =========== NOESY_Assign: User CPU Time: 20.5 sec. Syst CPU Time: 0.37 sec. Other Processes: User CPU Time: 0.57 sec. Syst CPU Time: 0.04 sec. Total Elapsed Time: 21.5 sec.