# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 15:33:52 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/PSR293_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q PSR293_R3Cons_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 168 Number of peaks NOT matched in the Peak List: 25 M score = 0.15 Average shift in HX: -0.005 Average ab-shift in HX: 0.0055(Assignment used: 111) Average shift in X: -0.0052 Average ab-shift in X: 0.033(Assignment used: 105) Average shift in HX2: -0.0027 Average ab-shift in HX2: 0.0092(Assignment used: 137) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0808(109/1349) Model 1 Inconsistent score: 0.086(116/1349) Model 2 Inconsistent score: 0.086(116/1349) Model 3 Inconsistent score: 0.0845(114/1349) Model 4 Inconsistent score: 0.0778(105/1349) Model 5 Inconsistent score: 0.083(112/1349) Model 6 Inconsistent score: 0.0875(118/1349) Model 7 Inconsistent score: 0.0875(118/1349) Model 8 Inconsistent score: 0.0815(110/1349) Model 9 Inconsistent score: 0.0845(114/1349) Model 10 Inconsistent score: 0.083(112/1349) Model 11 Inconsistent score: 0.083(112/1349) Model 12 Inconsistent score: 0.0845(114/1349) Model 13 Inconsistent score: 0.0823(111/1349) Model 14 Inconsistent score: 0.0808(109/1349) Model 15 Inconsistent score: 0.0875(118/1349) Model 16 Inconsistent score: 0.0897(121/1349) Model 17 Inconsistent score: 0.083(112/1349) Model 18 Inconsistent score: 0.0793(107/1349) Model 19 Inconsistent score: 0.0867(117/1349) Model 20 Inconsistent score: 0.083(112/1349) Model ave Missing interactions: 0.328 (566/1725) weighted: 0.0911 (3.71e+05/4.07e+06) <3: 0.101 (18/179) <3w: 0.151 (1.65e+05/1.09e+06) Model 1 Missing interactions: 0.352 (635/1804) weighted: 0.12 (5.82e+05/4.84e+06) <3: 0.1 (18/180) <3w: 0.148 (1.6e+05/1.08e+06) Model 2 Missing interactions: 0.356 (657/1846) weighted: 0.105 (5e+05/4.77e+06) <3: 0.0994 (18/181) <3w: 0.146 (1.57e+05/1.08e+06) Model 3 Missing interactions: 0.342 (615/1798) weighted: 0.094 (4.57e+05/4.87e+06) <3: 0.0984 (18/183) <3w: 0.146 (1.62e+05/1.11e+06) Model 4 Missing interactions: 0.357 (657/1840) weighted: 0.0962 (4.66e+05/4.84e+06) <3: 0.0957 (18/188) <3w: 0.149 (1.62e+05/1.09e+06) Model 5 Missing interactions: 0.346 (616/1778) weighted: 0.106 (4.97e+05/4.67e+06) <3: 0.0978 (18/184) <3w: 0.145 (1.61e+05/1.11e+06) Model 6 Missing interactions: 0.351 (637/1813) weighted: 0.109 (5.36e+05/4.93e+06) <3: 0.0994 (18/181) <3w: 0.141 (1.63e+05/1.15e+06) Model 7 Missing interactions: 0.353 (640/1812) weighted: 0.103 (5.07e+05/4.92e+06) <3: 0.0989 (18/182) <3w: 0.156 (1.75e+05/1.12e+06) Model 8 Missing interactions: 0.35 (635/1815) weighted: 0.112 (5.19e+05/4.65e+06) <3: 0.101 (18/178) <3w: 0.152 (1.69e+05/1.11e+06) Model 9 Missing interactions: 0.359 (658/1834) weighted: 0.122 (5.89e+05/4.83e+06) <3: 0.0978 (18/184) <3w: 0.146 (1.62e+05/1.11e+06) Model 10 Missing interactions: 0.354 (646/1823) weighted: 0.119 (5.63e+05/4.75e+06) <3: 0.0978 (18/184) <3w: 0.142 (1.59e+05/1.12e+06) Model 11 Missing interactions: 0.356 (646/1813) weighted: 0.124 (6.01e+05/4.85e+06) <3: 0.0989 (18/182) <3w: 0.145 (1.59e+05/1.1e+06) Model 12 Missing interactions: 0.354 (643/1816) weighted: 0.111 (5.34e+05/4.8e+06) <3: 0.0978 (18/184) <3w: 0.153 (1.69e+05/1.1e+06) Model 13 Missing interactions: 0.348 (635/1825) weighted: 0.12 (6.03e+05/5.03e+06) <3: 0.0973 (18/185) <3w: 0.148 (1.63e+05/1.1e+06) Model 14 Missing interactions: 0.363 (668/1841) weighted: 0.106 (5.01e+05/4.73e+06) <3: 0.0973 (18/185) <3w: 0.149 (1.72e+05/1.16e+06) Model 15 Missing interactions: 0.341 (598/1754) weighted: 0.108 (5.18e+05/4.81e+06) <3: 0.1 (18/180) <3w: 0.153 (1.68e+05/1.1e+06) Model 16 Missing interactions: 0.362 (663/1831) weighted: 0.1 (4.82e+05/4.8e+06) <3: 0.0978 (18/184) <3w: 0.154 (1.72e+05/1.11e+06) Model 17 Missing interactions: 0.355 (648/1824) weighted: 0.124 (5.98e+05/4.8e+06) <3: 0.0989 (18/182) <3w: 0.151 (1.7e+05/1.13e+06) Model 18 Missing interactions: 0.359 (658/1833) weighted: 0.136 (6.94e+05/5.1e+06) <3: 0.0994 (18/181) <3w: 0.145 (1.63e+05/1.13e+06) Model 19 Missing interactions: 0.347 (622/1793) weighted: 0.112 (5.5e+05/4.92e+06) <3: 0.0984 (18/183) <3w: 0.143 (1.59e+05/1.12e+06) Model 20 Missing interactions: 0.352 (636/1808) weighted: 0.114 (5.55e+05/4.89e+06) <3: 0.0989 (18/182) <3w: 0.142 (1.62e+05/1.14e+06) Model ave Recall: 0.919 Precision: all: 0.672 allw: 0.909 <3: 0.899 <3w: 0.849 F-measure:(Recall,Precision) 0.776 F-measure:(Recall,PrecisionW) 0.914 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.918 Model 1 Recall: 0.914 Precision: all: 0.648 allw: 0.88 <3: 0.9 <3w: 0.852 F-measure:(Recall,Precision) 0.758 F-measure:(Recall,PrecisionW) 0.897 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.92 Model 2 Recall: 0.914 Precision: all: 0.644 allw: 0.895 <3: 0.901 <3w: 0.854 F-measure:(Recall,Precision) 0.756 F-measure:(Recall,PrecisionW) 0.904 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.922 Model 3 Recall: 0.915 Precision: all: 0.658 allw: 0.906 <3: 0.902 <3w: 0.854 F-measure:(Recall,Precision) 0.766 F-measure:(Recall,PrecisionW) 0.911 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.921 Model 4 Recall: 0.922 Precision: all: 0.643 allw: 0.904 <3: 0.904 <3w: 0.851 F-measure:(Recall,Precision) 0.758 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.95 F-measure:(0,PrecisionIdealW) 0.92 Model 5 Recall: 0.917 Precision: all: 0.654 allw: 0.894 <3: 0.902 <3w: 0.855 F-measure:(Recall,Precision) 0.763 F-measure:(Recall,PrecisionW) 0.905 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.922 Model 6 Recall: 0.913 Precision: all: 0.649 allw: 0.891 <3: 0.901 <3w: 0.859 F-measure:(Recall,Precision) 0.758 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.924 Model 7 Recall: 0.913 Precision: all: 0.647 allw: 0.897 <3: 0.901 <3w: 0.844 F-measure:(Recall,Precision) 0.757 F-measure:(Recall,PrecisionW) 0.905 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.916 Model 8 Recall: 0.918 Precision: all: 0.65 allw: 0.888 <3: 0.899 <3w: 0.848 F-measure:(Recall,Precision) 0.761 F-measure:(Recall,PrecisionW) 0.903 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.918 Model 9 Recall: 0.915 Precision: all: 0.641 allw: 0.878 <3: 0.902 <3w: 0.854 F-measure:(Recall,Precision) 0.754 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.921 Model 10 Recall: 0.917 Precision: all: 0.646 allw: 0.881 <3: 0.902 <3w: 0.858 F-measure:(Recall,Precision) 0.758 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.924 Model 11 Recall: 0.917 Precision: all: 0.644 allw: 0.876 <3: 0.901 <3w: 0.855 F-measure:(Recall,Precision) 0.756 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.922 Model 12 Recall: 0.915 Precision: all: 0.646 allw: 0.889 <3: 0.902 <3w: 0.847 F-measure:(Recall,Precision) 0.757 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.917 Model 13 Recall: 0.918 Precision: all: 0.652 allw: 0.88 <3: 0.903 <3w: 0.852 F-measure:(Recall,Precision) 0.762 F-measure:(Recall,PrecisionW) 0.899 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.92 Model 14 Recall: 0.919 Precision: all: 0.637 allw: 0.894 <3: 0.903 <3w: 0.851 F-measure:(Recall,Precision) 0.753 F-measure:(Recall,PrecisionW) 0.907 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.92 Model 15 Recall: 0.913 Precision: all: 0.659 allw: 0.892 <3: 0.9 <3w: 0.847 F-measure:(Recall,Precision) 0.765 F-measure:(Recall,PrecisionW) 0.902 F-measure:(0,PrecisionIdeal) 0.947 F-measure:(0,PrecisionIdealW) 0.917 Model 16 Recall: 0.91 Precision: all: 0.638 allw: 0.9 <3: 0.902 <3w: 0.846 F-measure:(Recall,Precision) 0.75 F-measure:(Recall,PrecisionW) 0.905 F-measure:(0,PrecisionIdeal) 0.949 F-measure:(0,PrecisionIdealW) 0.916 Model 17 Recall: 0.917 Precision: all: 0.645 allw: 0.876 <3: 0.901 <3w: 0.849 F-measure:(Recall,Precision) 0.757 F-measure:(Recall,PrecisionW) 0.896 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.918 Model 18 Recall: 0.921 Precision: all: 0.641 allw: 0.864 <3: 0.901 <3w: 0.855 F-measure:(Recall,Precision) 0.756 F-measure:(Recall,PrecisionW) 0.891 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.922 Model 19 Recall: 0.913 Precision: all: 0.653 allw: 0.888 <3: 0.902 <3w: 0.857 F-measure:(Recall,Precision) 0.762 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.923 Model 20 Recall: 0.917 Precision: all: 0.648 allw: 0.886 <3: 0.901 <3w: 0.858 F-measure:(Recall,Precision) 0.76 F-measure:(Recall,PrecisionW) 0.901 F-measure:(0,PrecisionIdeal) 0.948 F-measure:(0,PrecisionIdealW) 0.923 For freely-rotating-chain model: Model ave Inconsistent score: 0.385(520/1349) Model ave Missing interactions: 0.231 (211/913) weighted: 0.162 (8.85e+04/5.45e+05) <3: 0.132 (24/182) <3w: 0.165 (5.16e+04/3.13e+05) Recall: 0.615 Precision: all: 0.769 allw: 0.838 F-measure:(RecallFree,PrecisionFree) 0.683 F-measure:(ReallFree,PrecisionFreeW) 0.709 # Summary for c_aro.peaks Total simulated peaks: 26 Number of peaks NOT matched in the Peak List: 7 M score = 0.27 Average shift in HX: -0.0032 Average ab-shift in HX: 0.0071(Assignment used: 10) Average shift in X: 0.047 Average ab-shift in X: 0.077(Assignment used: 10) Average shift in HX2: -0.0024 Average ab-shift in HX2: 0.0094(Assignment used: 17) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.101(16/158) Model 1 Inconsistent score: 0.057(9/158) Model 2 Inconsistent score: 0.0886(14/158) Model 3 Inconsistent score: 0.0823(13/158) Model 4 Inconsistent score: 0.108(17/158) Model 5 Inconsistent score: 0.0886(14/158) Model 6 Inconsistent score: 0.0823(13/158) Model 7 Inconsistent score: 0.0886(14/158) Model 8 Inconsistent score: 0.0696(11/158) Model 9 Inconsistent score: 0.0823(13/158) Model 10 Inconsistent score: 0.101(16/158) Model 11 Inconsistent score: 0.0759(12/158) Model 12 Inconsistent score: 0.0949(15/158) Model 13 Inconsistent score: 0.0949(15/158) Model 14 Inconsistent score: 0.0949(15/158) Model 15 Inconsistent score: 0.0823(13/158) Model 16 Inconsistent score: 0.101(16/158) Model 17 Inconsistent score: 0.0949(15/158) Model 18 Inconsistent score: 0.0886(14/158) Model 19 Inconsistent score: 0.0886(14/158) Model 20 Inconsistent score: 0.0823(13/158) Model ave Missing interactions: 0.706 (302/428) weighted: 0.367 (1.59e+05/4.34e+05) <3: 0.406 (13/32) <3w: 0.329 (3.84e+04/1.17e+05) Model 1 Missing interactions: 0.752 (389/517) weighted: 0.465 (3.1e+05/6.66e+05) <3: 0.406 (13/32) <3w: 0.333 (3.89e+04/1.17e+05) Model 2 Missing interactions: 0.772 (424/549) weighted: 0.585 (4.63e+05/7.93e+05) <3: 0.406 (13/32) <3w: 0.326 (3.82e+04/1.17e+05) Model 3 Missing interactions: 0.761 (385/506) weighted: 0.432 (3.2e+05/7.41e+05) <3: 0.406 (13/32) <3w: 0.333 (3.9e+04/1.17e+05) Model 4 Missing interactions: 0.776 (423/545) weighted: 0.497 (3.71e+05/7.46e+05) <3: 0.406 (13/32) <3w: 0.329 (3.85e+04/1.17e+05) Model 5 Missing interactions: 0.75 (378/504) weighted: 0.503 (3.44e+05/6.84e+05) <3: 0.406 (13/32) <3w: 0.331 (3.9e+04/1.18e+05) Model 6 Missing interactions: 0.76 (406/534) weighted: 0.467 (3.79e+05/8.1e+05) <3: 0.406 (13/32) <3w: 0.333 (3.89e+04/1.17e+05) Model 7 Missing interactions: 0.756 (390/516) weighted: 0.519 (3.98e+05/7.66e+05) <3: 0.406 (13/32) <3w: 0.327 (3.82e+04/1.17e+05) Model 8 Missing interactions: 0.74 (376/508) weighted: 0.454 (3.38e+05/7.44e+05) <3: 0.406 (13/32) <3w: 0.327 (3.82e+04/1.17e+05) Model 9 Missing interactions: 0.769 (419/545) weighted: 0.492 (3.42e+05/6.95e+05) <3: 0.406 (13/32) <3w: 0.332 (3.9e+04/1.17e+05) Model 10 Missing interactions: 0.76 (398/524) weighted: 0.48 (3.71e+05/7.74e+05) <3: 0.406 (13/32) <3w: 0.331 (3.9e+04/1.18e+05) Model 11 Missing interactions: 0.762 (413/542) weighted: 0.478 (3.81e+05/7.97e+05) <3: 0.406 (13/32) <3w: 0.333 (3.89e+04/1.17e+05) Model 12 Missing interactions: 0.764 (401/525) weighted: 0.498 (3.45e+05/6.94e+05) <3: 0.406 (13/32) <3w: 0.332 (3.89e+04/1.17e+05) Model 13 Missing interactions: 0.745 (386/518) weighted: 0.477 (3.65e+05/7.65e+05) <3: 0.406 (13/32) <3w: 0.332 (3.9e+04/1.17e+05) Model 14 Missing interactions: 0.772 (430/557) weighted: 0.507 (4.02e+05/7.94e+05) <3: 0.406 (13/32) <3w: 0.332 (3.89e+04/1.17e+05) Model 15 Missing interactions: 0.752 (383/509) weighted: 0.474 (3.46e+05/7.3e+05) <3: 0.406 (13/32) <3w: 0.327 (3.82e+04/1.17e+05) Model 16 Missing interactions: 0.776 (432/557) weighted: 0.468 (3.66e+05/7.83e+05) <3: 0.406 (13/32) <3w: 0.333 (3.9e+04/1.17e+05) Model 17 Missing interactions: 0.759 (396/522) weighted: 0.499 (3.77e+05/7.55e+05) <3: 0.406 (13/32) <3w: 0.331 (3.9e+04/1.18e+05) Model 18 Missing interactions: 0.763 (416/545) weighted: 0.514 (3.74e+05/7.27e+05) <3: 0.406 (13/32) <3w: 0.326 (3.82e+04/1.17e+05) Model 19 Missing interactions: 0.745 (376/505) weighted: 0.478 (3.77e+05/7.9e+05) <3: 0.406 (13/32) <3w: 0.333 (3.89e+04/1.17e+05) Model 20 Missing interactions: 0.753 (384/510) weighted: 0.487 (3.36e+05/6.91e+05) <3: 0.406 (13/32) <3w: 0.333 (3.92e+04/1.18e+05) Model ave Recall: 0.899 Precision: all: 0.294 allw: 0.633 <3: 0.594 <3w: 0.671 F-measure:(Recall,Precision) 0.444 F-measure:(Recall,PrecisionW) 0.743 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.803 Model 1 Recall: 0.943 Precision: all: 0.248 allw: 0.535 <3: 0.594 <3w: 0.667 F-measure:(Recall,Precision) 0.392 F-measure:(Recall,PrecisionW) 0.683 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 Model 2 Recall: 0.911 Precision: all: 0.228 allw: 0.415 <3: 0.594 <3w: 0.674 F-measure:(Recall,Precision) 0.364 F-measure:(Recall,PrecisionW) 0.571 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.805 Model 3 Recall: 0.918 Precision: all: 0.239 allw: 0.568 <3: 0.594 <3w: 0.667 F-measure:(Recall,Precision) 0.379 F-measure:(Recall,PrecisionW) 0.702 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 Model 4 Recall: 0.892 Precision: all: 0.224 allw: 0.503 <3: 0.594 <3w: 0.671 F-measure:(Recall,Precision) 0.358 F-measure:(Recall,PrecisionW) 0.644 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.803 Model 5 Recall: 0.911 Precision: all: 0.25 allw: 0.497 <3: 0.594 <3w: 0.669 F-measure:(Recall,Precision) 0.392 F-measure:(Recall,PrecisionW) 0.643 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.801 Model 6 Recall: 0.918 Precision: all: 0.24 allw: 0.533 <3: 0.594 <3w: 0.667 F-measure:(Recall,Precision) 0.38 F-measure:(Recall,PrecisionW) 0.674 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 Model 7 Recall: 0.911 Precision: all: 0.244 allw: 0.481 <3: 0.594 <3w: 0.673 F-measure:(Recall,Precision) 0.385 F-measure:(Recall,PrecisionW) 0.629 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.804 Model 8 Recall: 0.93 Precision: all: 0.26 allw: 0.546 <3: 0.594 <3w: 0.673 F-measure:(Recall,Precision) 0.406 F-measure:(Recall,PrecisionW) 0.688 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.804 Model 9 Recall: 0.918 Precision: all: 0.231 allw: 0.508 <3: 0.594 <3w: 0.668 F-measure:(Recall,Precision) 0.369 F-measure:(Recall,PrecisionW) 0.654 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.801 Model 10 Recall: 0.899 Precision: all: 0.24 allw: 0.52 <3: 0.594 <3w: 0.669 F-measure:(Recall,Precision) 0.379 F-measure:(Recall,PrecisionW) 0.659 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.801 Model 11 Recall: 0.924 Precision: all: 0.238 allw: 0.522 <3: 0.594 <3w: 0.667 F-measure:(Recall,Precision) 0.379 F-measure:(Recall,PrecisionW) 0.667 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 Model 12 Recall: 0.905 Precision: all: 0.236 allw: 0.502 <3: 0.594 <3w: 0.668 F-measure:(Recall,Precision) 0.375 F-measure:(Recall,PrecisionW) 0.646 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.801 Model 13 Recall: 0.905 Precision: all: 0.255 allw: 0.523 <3: 0.594 <3w: 0.668 F-measure:(Recall,Precision) 0.398 F-measure:(Recall,PrecisionW) 0.663 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.801 Model 14 Recall: 0.905 Precision: all: 0.228 allw: 0.493 <3: 0.594 <3w: 0.668 F-measure:(Recall,Precision) 0.364 F-measure:(Recall,PrecisionW) 0.638 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.801 Model 15 Recall: 0.918 Precision: all: 0.248 allw: 0.526 <3: 0.594 <3w: 0.673 F-measure:(Recall,Precision) 0.39 F-measure:(Recall,PrecisionW) 0.669 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.804 Model 16 Recall: 0.899 Precision: all: 0.224 allw: 0.532 <3: 0.594 <3w: 0.667 F-measure:(Recall,Precision) 0.359 F-measure:(Recall,PrecisionW) 0.668 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 Model 17 Recall: 0.905 Precision: all: 0.241 allw: 0.501 <3: 0.594 <3w: 0.669 F-measure:(Recall,Precision) 0.381 F-measure:(Recall,PrecisionW) 0.645 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.802 Model 18 Recall: 0.911 Precision: all: 0.237 allw: 0.486 <3: 0.594 <3w: 0.674 F-measure:(Recall,Precision) 0.376 F-measure:(Recall,PrecisionW) 0.634 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.805 Model 19 Recall: 0.911 Precision: all: 0.255 allw: 0.522 <3: 0.594 <3w: 0.667 F-measure:(Recall,Precision) 0.399 F-measure:(Recall,PrecisionW) 0.664 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 Model 20 Recall: 0.918 Precision: all: 0.247 allw: 0.513 <3: 0.594 <3w: 0.667 F-measure:(Recall,Precision) 0.389 F-measure:(Recall,PrecisionW) 0.658 F-measure:(0,PrecisionIdeal) 0.745 F-measure:(0,PrecisionIdealW) 0.8 For freely-rotating-chain model: Model ave Inconsistent score: 0.576(91/158) Model ave Missing interactions: 0.607 (68/112) weighted: 0.685 (4.56e+04/6.66e+04) <3: 0.6 (30/50) <3w: 0.72 (4.14e+04/5.75e+04) Recall: 0.424 Precision: all: 0.393 allw: 0.315 F-measure:(RecallFree,PrecisionFree) 0.408 F-measure:(ReallFree,PrecisionFreeW) 0.361 # Summary for c_ali.peaks Total simulated peaks: 934 Number of peaks NOT matched in the Peak List: 195 M score = 0.21 Average shift in HX: 0.00016 Average ab-shift in HX: 0.0052(Assignment used: 369) Average shift in X: 0.039 Average ab-shift in X: 0.085(Assignment used: 289) Average shift in HX2: 0.00061 Average ab-shift in HX2: 0.0097(Assignment used: 409) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.0901(285/3164) Model 1 Inconsistent score: 0.0872(276/3164) Model 2 Inconsistent score: 0.0936(296/3164) Model 3 Inconsistent score: 0.0844(267/3164) Model 4 Inconsistent score: 0.0863(273/3164) Model 5 Inconsistent score: 0.0888(281/3164) Model 6 Inconsistent score: 0.0945(299/3164) Model 7 Inconsistent score: 0.0913(289/3164) Model 8 Inconsistent score: 0.0841(266/3164) Model 9 Inconsistent score: 0.0923(292/3164) Model 10 Inconsistent score: 0.086(272/3164) Model 11 Inconsistent score: 0.0875(277/3164) Model 12 Inconsistent score: 0.086(272/3164) Model 13 Inconsistent score: 0.091(288/3164) Model 14 Inconsistent score: 0.0891(282/3164) Model 15 Inconsistent score: 0.0929(294/3164) Model 16 Inconsistent score: 0.085(269/3164) Model 17 Inconsistent score: 0.0875(277/3164) Model 18 Inconsistent score: 0.0913(289/3164) Model 19 Inconsistent score: 0.0872(276/3164) Model 20 Inconsistent score: 0.0923(292/3164) Model ave Missing interactions: 0.511 (2.82e+03/5517) weighted: 0.175 (2.4e+06/1.37e+07) <3: 0.135 (96/712) <3w: 0.1 (7.58e+05/7.56e+06) Model 1 Missing interactions: 0.533 (3.11e+03/5841) weighted: 0.219 (3.7e+06/1.69e+07) <3: 0.135 (96/713) <3w: 0.0964 (7.47e+05/7.76e+06) Model 2 Missing interactions: 0.525 (3.06e+03/5824) weighted: 0.222 (3.74e+06/1.69e+07) <3: 0.134 (96/714) <3w: 0.0956 (7.42e+05/7.76e+06) Model 3 Missing interactions: 0.522 (3.03e+03/5800) weighted: 0.221 (3.84e+06/1.74e+07) <3: 0.134 (96/716) <3w: 0.096 (7.51e+05/7.82e+06) Model 4 Missing interactions: 0.531 (3.15e+03/5942) weighted: 0.213 (3.57e+06/1.68e+07) <3: 0.133 (96/721) <3w: 0.0987 (7.58e+05/7.69e+06) Model 5 Missing interactions: 0.52 (2.97e+03/5709) weighted: 0.219 (3.68e+06/1.68e+07) <3: 0.134 (96/717) <3w: 0.0945 (7.34e+05/7.76e+06) Model 6 Missing interactions: 0.534 (3.14e+03/5887) weighted: 0.238 (4.09e+06/1.72e+07) <3: 0.134 (96/714) <3w: 0.0982 (7.67e+05/7.81e+06) Model 7 Missing interactions: 0.531 (3.11e+03/5858) weighted: 0.227 (3.89e+06/1.72e+07) <3: 0.134 (96/715) <3w: 0.0968 (7.5e+05/7.75e+06) Model 8 Missing interactions: 0.533 (3.16e+03/5918) weighted: 0.217 (3.63e+06/1.68e+07) <3: 0.135 (96/711) <3w: 0.0967 (7.47e+05/7.73e+06) Model 9 Missing interactions: 0.528 (3.09e+03/5844) weighted: 0.22 (3.7e+06/1.68e+07) <3: 0.134 (96/717) <3w: 0.0974 (7.5e+05/7.7e+06) Model 10 Missing interactions: 0.529 (3.12e+03/5895) weighted: 0.221 (3.69e+06/1.67e+07) <3: 0.134 (96/717) <3w: 0.0954 (7.42e+05/7.78e+06) Model 11 Missing interactions: 0.529 (3.1e+03/5849) weighted: 0.21 (3.54e+06/1.68e+07) <3: 0.134 (96/715) <3w: 0.0987 (7.65e+05/7.75e+06) Model 12 Missing interactions: 0.537 (3.19e+03/5948) weighted: 0.231 (3.94e+06/1.71e+07) <3: 0.134 (96/717) <3w: 0.098 (7.58e+05/7.73e+06) Model 13 Missing interactions: 0.526 (3.07e+03/5836) weighted: 0.224 (3.78e+06/1.69e+07) <3: 0.134 (96/718) <3w: 0.0975 (7.56e+05/7.76e+06) Model 14 Missing interactions: 0.529 (3.1e+03/5865) weighted: 0.21 (3.48e+06/1.66e+07) <3: 0.134 (96/718) <3w: 0.0976 (7.56e+05/7.74e+06) Model 15 Missing interactions: 0.53 (3.05e+03/5752) weighted: 0.211 (3.49e+06/1.66e+07) <3: 0.135 (96/713) <3w: 0.0965 (7.4e+05/7.67e+06) Model 16 Missing interactions: 0.523 (3.05e+03/5827) weighted: 0.215 (3.67e+06/1.71e+07) <3: 0.134 (96/717) <3w: 0.0956 (7.5e+05/7.85e+06) Model 17 Missing interactions: 0.531 (3.11e+03/5850) weighted: 0.219 (3.68e+06/1.68e+07) <3: 0.134 (96/715) <3w: 0.0993 (7.77e+05/7.82e+06) Model 18 Missing interactions: 0.533 (3.14e+03/5899) weighted: 0.218 (3.76e+06/1.72e+07) <3: 0.134 (96/714) <3w: 0.0954 (7.45e+05/7.8e+06) Model 19 Missing interactions: 0.53 (3.13e+03/5912) weighted: 0.219 (3.69e+06/1.68e+07) <3: 0.134 (96/716) <3w: 0.0977 (7.59e+05/7.77e+06) Model 20 Missing interactions: 0.525 (3.04e+03/5794) weighted: 0.211 (3.52e+06/1.67e+07) <3: 0.134 (96/715) <3w: 0.0964 (7.47e+05/7.75e+06) Model ave Recall: 0.91 Precision: all: 0.489 allw: 0.825 <3: 0.865 <3w: 0.9 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.865 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.947 Model 1 Recall: 0.913 Precision: all: 0.467 allw: 0.781 <3: 0.865 <3w: 0.904 F-measure:(Recall,Precision) 0.618 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 2 Recall: 0.906 Precision: all: 0.475 allw: 0.778 <3: 0.866 <3w: 0.904 F-measure:(Recall,Precision) 0.623 F-measure:(Recall,PrecisionW) 0.837 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.95 Model 3 Recall: 0.916 Precision: all: 0.478 allw: 0.779 <3: 0.866 <3w: 0.904 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.95 Model 4 Recall: 0.914 Precision: all: 0.469 allw: 0.787 <3: 0.867 <3w: 0.901 F-measure:(Recall,Precision) 0.62 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.929 F-measure:(0,PrecisionIdealW) 0.948 Model 5 Recall: 0.911 Precision: all: 0.48 allw: 0.781 <3: 0.866 <3w: 0.905 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.841 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.95 Model 6 Recall: 0.905 Precision: all: 0.466 allw: 0.762 <3: 0.866 <3w: 0.902 F-measure:(Recall,Precision) 0.615 F-measure:(Recall,PrecisionW) 0.828 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.948 Model 7 Recall: 0.909 Precision: all: 0.469 allw: 0.773 <3: 0.866 <3w: 0.903 F-measure:(Recall,Precision) 0.619 F-measure:(Recall,PrecisionW) 0.836 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 8 Recall: 0.916 Precision: all: 0.467 allw: 0.783 <3: 0.865 <3w: 0.903 F-measure:(Recall,Precision) 0.618 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 9 Recall: 0.908 Precision: all: 0.472 allw: 0.78 <3: 0.866 <3w: 0.903 F-measure:(Recall,Precision) 0.621 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 10 Recall: 0.914 Precision: all: 0.471 allw: 0.779 <3: 0.866 <3w: 0.905 F-measure:(Recall,Precision) 0.622 F-measure:(Recall,PrecisionW) 0.841 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.95 Model 11 Recall: 0.912 Precision: all: 0.471 allw: 0.79 <3: 0.866 <3w: 0.901 F-measure:(Recall,Precision) 0.621 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.948 Model 12 Recall: 0.914 Precision: all: 0.463 allw: 0.769 <3: 0.866 <3w: 0.902 F-measure:(Recall,Precision) 0.615 F-measure:(Recall,PrecisionW) 0.835 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.948 Model 13 Recall: 0.909 Precision: all: 0.474 allw: 0.776 <3: 0.866 <3w: 0.903 F-measure:(Recall,Precision) 0.623 F-measure:(Recall,PrecisionW) 0.837 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 14 Recall: 0.911 Precision: all: 0.471 allw: 0.79 <3: 0.866 <3w: 0.902 F-measure:(Recall,Precision) 0.621 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 15 Recall: 0.907 Precision: all: 0.47 allw: 0.789 <3: 0.865 <3w: 0.903 F-measure:(Recall,Precision) 0.62 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 16 Recall: 0.915 Precision: all: 0.477 allw: 0.785 <3: 0.866 <3w: 0.904 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.845 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.95 Model 17 Recall: 0.912 Precision: all: 0.469 allw: 0.781 <3: 0.866 <3w: 0.901 F-measure:(Recall,Precision) 0.619 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.948 Model 18 Recall: 0.909 Precision: all: 0.467 allw: 0.782 <3: 0.866 <3w: 0.905 F-measure:(Recall,Precision) 0.617 F-measure:(Recall,PrecisionW) 0.84 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.95 Model 19 Recall: 0.913 Precision: all: 0.47 allw: 0.781 <3: 0.866 <3w: 0.902 F-measure:(Recall,Precision) 0.621 F-measure:(Recall,PrecisionW) 0.842 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 Model 20 Recall: 0.908 Precision: all: 0.475 allw: 0.789 <3: 0.866 <3w: 0.904 F-measure:(Recall,Precision) 0.624 F-measure:(Recall,PrecisionW) 0.844 F-measure:(0,PrecisionIdeal) 0.928 F-measure:(0,PrecisionIdealW) 0.949 For freely-rotating-chain model: Model ave Inconsistent score: 0.426(1349/3164) Model ave Missing interactions: 0.387 (856/2213) weighted: 0.182 (3.14e+05/1.73e+06) <3: 0.136 (96/706) <3w: 0.105 (1.32e+05/1.26e+06) Recall: 0.574 Precision: all: 0.613 allw: 0.818 F-measure:(RecallFree,PrecisionFree) 0.593 F-measure:(ReallFree,PrecisionFreeW) 0.674 Final M-score 0.201 227/1.13e+03 Model ave Final Recall-score for input query structures: 0.912 Final Precision-score for input query structures: 0.839 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.89 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.874 F-score of ideal true structures: 0.942 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.744 Model 1 Final Recall-score for input query structures: 0.914 Final Precision-score for input query structures: 0.795 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.894 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.85 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.649 Model 2 Final Recall-score for input query structures: 0.909 Final Precision-score for input query structures: 0.79 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.895 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.845 F-score of ideal true structures: 0.945 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.628 Model 3 Final Recall-score for input query structures: 0.916 Final Precision-score for input query structures: 0.799 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.895 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.854 F-score of ideal true structures: 0.945 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.662 Model 4 Final Recall-score for input query structures: 0.915 Final Precision-score for input query structures: 0.803 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.892 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.856 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.674 Model 5 Final Recall-score for input query structures: 0.913 Final Precision-score for input query structures: 0.796 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.896 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.85 F-score of ideal true structures: 0.945 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.647 Model 6 Final Recall-score for input query structures: 0.908 Final Precision-score for input query structures: 0.782 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.84 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.612 Model 7 Final Recall-score for input query structures: 0.91 Final Precision-score for input query structures: 0.79 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.846 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.637 Model 8 Final Recall-score for input query structures: 0.917 Final Precision-score for input query structures: 0.797 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.66 Model 9 Final Recall-score for input query structures: 0.91 Final Precision-score for input query structures: 0.793 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.848 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.642 Model 10 Final Recall-score for input query structures: 0.914 Final Precision-score for input query structures: 0.792 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.896 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.849 F-score of ideal true structures: 0.945 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.643 Model 11 Final Recall-score for input query structures: 0.914 Final Precision-score for input query structures: 0.799 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.663 Model 12 Final Recall-score for input query structures: 0.914 Final Precision-score for input query structures: 0.786 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.892 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.845 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.633 Model 13 Final Recall-score for input query structures: 0.911 Final Precision-score for input query structures: 0.791 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.847 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.638 Model 14 Final Recall-score for input query structures: 0.913 Final Precision-score for input query structures: 0.801 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.854 F-score of ideal true structures: 0.943 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.667 Model 15 Final Recall-score for input query structures: 0.909 Final Precision-score for input query structures: 0.803 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.893 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.66 Model 16 Final Recall-score for input query structures: 0.913 Final Precision-score for input query structures: 0.801 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.894 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.66 Model 17 Final Recall-score for input query structures: 0.914 Final Precision-score for input query structures: 0.792 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.891 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.848 F-score of ideal true structures: 0.942 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.647 Model 18 Final Recall-score for input query structures: 0.912 Final Precision-score for input query structures: 0.791 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.895 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.847 F-score of ideal true structures: 0.945 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.636 Model 19 Final Recall-score for input query structures: 0.913 Final Precision-score for input query structures: 0.795 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.894 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.85 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.649 Model 20 Final Recall-score for input query structures: 0.911 Final Precision-score for input query structures: 0.802 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.895 Final Recall-score for freely-rotating-chain model: 0.58 Final Precision-score for freely-rotating-chain model: 0.808 Summary: F-score of input query structures: 0.853 F-score of ideal true structures: 0.944 F-score of freely-rotating-chain model: 0.676 DP-Score: 0.66 Statistics: =========== NOESY_Assign: User CPU Time: 63.7 sec. Syst CPU Time: 0.97 sec. Other Processes: User CPU Time: 0.75 sec. Syst CPU Time: 0.06 sec. Total Elapsed Time: 65.5 sec.