# created by ASDP Version 1.0 Copyright(C) 2010 # Sat May 11 00:45:30 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SSR10_NMR_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SSR10_NMR_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 196 Number of peaks NOT matched in the Peak List: 2 M score = 0.01 Average shift in HX: 0.00031 Average ab-shift in HX: 0.0027(Assignment used: 147) Average shift in X: 0.0055 Average ab-shift in X: 0.026(Assignment used: 137) Average shift in HX2: 0.00054 Average ab-shift in HX2: 0.0027(Assignment used: 194) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.0189(30/1585) Model 1 Inconsistent score: 0.0215(34/1585) Model 2 Inconsistent score: 0.0183(29/1585) Model 3 Inconsistent score: 0.0227(36/1585) Model 4 Inconsistent score: 0.0227(36/1585) Model 5 Inconsistent score: 0.017(27/1585) Model 6 Inconsistent score: 0.0221(35/1585) Model 7 Inconsistent score: 0.0233(37/1585) Model 8 Inconsistent score: 0.0202(32/1585) Model 9 Inconsistent score: 0.0252(40/1585) Model 10 Inconsistent score: 0.0233(37/1585) Model 11 Inconsistent score: 0.0202(32/1585) Model 12 Inconsistent score: 0.0183(29/1585) Model 13 Inconsistent score: 0.0177(28/1585) Model 14 Inconsistent score: 0.0183(29/1585) Model 15 Inconsistent score: 0.0183(29/1585) Model 16 Inconsistent score: 0.0233(37/1585) Model 17 Inconsistent score: 0.0215(34/1585) Model 18 Inconsistent score: 0.0177(28/1585) Model 19 Inconsistent score: 0.0189(30/1585) Model 20 Inconsistent score: 0.0202(32/1585) Model ave Missing interactions: 0.331 (693/2096) weighted: 0.0608 (2.83e+05/4.65e+06) <3: 0.0142 (3/212) <3w: 0.00015 (201/1.34e+06) Model 1 Missing interactions: 0.34 (751/2210) weighted: 0.0743 (4.12e+05/5.54e+06) <3: 0.0141 (3/213) <3w: 0.000144 (201/1.4e+06) Model 2 Missing interactions: 0.35 (794/2270) weighted: 0.0941 (5.26e+05/5.59e+06) <3: 0.0141 (3/213) <3w: 0.000147 (200/1.36e+06) Model 3 Missing interactions: 0.34 (743/2186) weighted: 0.0792 (4.32e+05/5.46e+06) <3: 0.0141 (3/213) <3w: 0.000146 (202/1.39e+06) Model 4 Missing interactions: 0.341 (765/2243) weighted: 0.0744 (4.15e+05/5.58e+06) <3: 0.0141 (3/213) <3w: 0.000142 (200/1.4e+06) Model 5 Missing interactions: 0.356 (810/2278) weighted: 0.0892 (4.94e+05/5.54e+06) <3: 0.0144 (3/208) <3w: 0.000146 (202/1.39e+06) Model 6 Missing interactions: 0.348 (782/2247) weighted: 0.0772 (4.26e+05/5.52e+06) <3: 0.0145 (3/207) <3w: 0.000151 (201/1.34e+06) Model 7 Missing interactions: 0.355 (796/2241) weighted: 0.0758 (4.17e+05/5.5e+06) <3: 0.0145 (3/207) <3w: 0.000141 (200/1.42e+06) Model 8 Missing interactions: 0.332 (732/2207) weighted: 0.0769 (4.37e+05/5.68e+06) <3: 0.0142 (3/212) <3w: 0.000151 (202/1.34e+06) Model 9 Missing interactions: 0.34 (745/2189) weighted: 0.0878 (4.88e+05/5.56e+06) <3: 0.0141 (3/213) <3w: 0.000148 (202/1.36e+06) Model 10 Missing interactions: 0.355 (802/2261) weighted: 0.0838 (4.7e+05/5.61e+06) <3: 0.014 (3/214) <3w: 0.000145 (201/1.39e+06) Model 11 Missing interactions: 0.342 (760/2219) weighted: 0.0942 (5.53e+05/5.87e+06) <3: 0.0143 (3/210) <3w: 0.000147 (201/1.37e+06) Model 12 Missing interactions: 0.341 (773/2264) weighted: 0.0833 (4.61e+05/5.53e+06) <3: 0.014 (3/215) <3w: 0.000142 (200/1.41e+06) Model 13 Missing interactions: 0.346 (775/2239) weighted: 0.074 (4.15e+05/5.6e+06) <3: 0.0137 (3/219) <3w: 0.000149 (201/1.35e+06) Model 14 Missing interactions: 0.35 (788/2253) weighted: 0.0697 (3.93e+05/5.64e+06) <3: 0.0141 (3/213) <3w: 0.000149 (201/1.35e+06) Model 15 Missing interactions: 0.342 (770/2252) weighted: 0.0771 (4.28e+05/5.56e+06) <3: 0.0142 (3/212) <3w: 0.000149 (201/1.35e+06) Model 16 Missing interactions: 0.357 (808/2265) weighted: 0.0815 (4.49e+05/5.51e+06) <3: 0.014 (3/215) <3w: 0.000147 (201/1.37e+06) Model 17 Missing interactions: 0.352 (792/2247) weighted: 0.0885 (5e+05/5.64e+06) <3: 0.014 (3/214) <3w: 0.000149 (201/1.35e+06) Model 18 Missing interactions: 0.352 (793/2254) weighted: 0.0817 (4.52e+05/5.54e+06) <3: 0.0142 (3/211) <3w: 0.000145 (201/1.39e+06) Model 19 Missing interactions: 0.353 (808/2287) weighted: 0.0743 (4.19e+05/5.64e+06) <3: 0.0143 (3/210) <3w: 0.000146 (201/1.37e+06) Model 20 Missing interactions: 0.348 (783/2249) weighted: 0.0897 (5.02e+05/5.59e+06) <3: 0.014 (3/214) <3w: 0.000145 (201/1.39e+06) Model ave Recall: 0.981 Precision: all: 0.669 allw: 0.939 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.796 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.979 Precision: all: 0.66 allw: 0.926 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.788 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.982 Precision: all: 0.65 allw: 0.906 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.977 Precision: all: 0.66 allw: 0.921 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.788 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.977 Precision: all: 0.659 allw: 0.926 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.787 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.983 Precision: all: 0.644 allw: 0.911 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.778 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.978 Precision: all: 0.652 allw: 0.923 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.977 Precision: all: 0.645 allw: 0.924 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.98 Precision: all: 0.668 allw: 0.923 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.795 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.975 Precision: all: 0.66 allw: 0.912 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.787 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.977 Precision: all: 0.645 allw: 0.916 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.777 F-measure:(Recall,PrecisionW) 0.945 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.98 Precision: all: 0.658 allw: 0.906 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.787 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.982 Precision: all: 0.659 allw: 0.917 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.788 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.982 Precision: all: 0.654 allw: 0.926 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.982 Precision: all: 0.65 allw: 0.93 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.982 Precision: all: 0.658 allw: 0.923 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.788 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.977 Precision: all: 0.643 allw: 0.919 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.776 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.979 Precision: all: 0.648 allw: 0.911 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.779 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.982 Precision: all: 0.648 allw: 0.918 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.781 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.981 Precision: all: 0.647 allw: 0.926 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.98 Precision: all: 0.652 allw: 0.91 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.783 F-measure:(Recall,PrecisionW) 0.944 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.259(410/1585) Model ave Missing interactions: 0.162 (168/1036) weighted: 0.0662 (4.15e+04/6.26e+05) <3: 0.0329 (7/213) <3w: 0.0337 (1.21e+04/3.58e+05) Recall: 0.741 Precision: all: 0.838 allw: 0.934 F-measure:(RecallFree,PrecisionFree) 0.787 F-measure:(ReallFree,PrecisionFreeW) 0.826 # Summary for c_aro.peaks Total simulated peaks: 19 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: -0.0003 Average ab-shift in HX: 0.0019(Assignment used: 10) Average shift in X: 0.004 Average ab-shift in X: 0.028(Assignment used: 10) Average shift in HX2: -0.00047 Average ab-shift in HX2: 0.0025(Assignment used: 17) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.0732(12/164) Model 1 Inconsistent score: 0.0976(16/164) Model 2 Inconsistent score: 0.061(10/164) Model 3 Inconsistent score: 0.0732(12/164) Model 4 Inconsistent score: 0.0854(14/164) Model 5 Inconsistent score: 0.0854(14/164) Model 6 Inconsistent score: 0.0549(9/164) Model 7 Inconsistent score: 0.061(10/164) Model 8 Inconsistent score: 0.0671(11/164) Model 9 Inconsistent score: 0.11(18/164) Model 10 Inconsistent score: 0.0854(14/164) Model 11 Inconsistent score: 0.0854(14/164) Model 12 Inconsistent score: 0.0976(16/164) Model 13 Inconsistent score: 0.0793(13/164) Model 14 Inconsistent score: 0.0671(11/164) Model 15 Inconsistent score: 0.0854(14/164) Model 16 Inconsistent score: 0.0854(14/164) Model 17 Inconsistent score: 0.0793(13/164) Model 18 Inconsistent score: 0.0732(12/164) Model 19 Inconsistent score: 0.061(10/164) Model 20 Inconsistent score: 0.061(10/164) Model ave Missing interactions: 0.581 (245/422) weighted: 0.412 (1.54e+05/3.74e+05) <3: 0.76 (19/25) <3w: 0.548 (4.53e+04/8.26e+04) Model 1 Missing interactions: 0.62 (287/463) weighted: 0.445 (2.79e+05/6.27e+05) <3: 0.76 (19/25) <3w: 0.551 (4.55e+04/8.27e+04) Model 2 Missing interactions: 0.624 (307/492) weighted: 0.537 (4.07e+05/7.57e+05) <3: 0.76 (19/25) <3w: 0.55 (4.52e+04/8.21e+04) Model 3 Missing interactions: 0.618 (295/477) weighted: 0.482 (3.33e+05/6.91e+05) <3: 0.76 (19/25) <3w: 0.548 (4.5e+04/8.21e+04) Model 4 Missing interactions: 0.633 (314/496) weighted: 0.48 (2.97e+05/6.2e+05) <3: 0.731 (19/26) <3w: 0.546 (4.48e+04/8.21e+04) Model 5 Missing interactions: 0.643 (342/532) weighted: 0.487 (3.7e+05/7.6e+05) <3: 0.76 (19/25) <3w: 0.55 (4.52e+04/8.21e+04) Model 6 Missing interactions: 0.617 (313/507) weighted: 0.379 (2.75e+05/7.26e+05) <3: 0.76 (19/25) <3w: 0.548 (4.48e+04/8.17e+04) Model 7 Missing interactions: 0.632 (314/497) weighted: 0.388 (2.93e+05/7.55e+05) <3: 0.76 (19/25) <3w: 0.55 (4.51e+04/8.2e+04) Model 8 Missing interactions: 0.587 (269/458) weighted: 0.349 (2.29e+05/6.57e+05) <3: 0.76 (19/25) <3w: 0.548 (4.53e+04/8.27e+04) Model 9 Missing interactions: 0.609 (270/443) weighted: 0.474 (2.63e+05/5.56e+05) <3: 0.731 (19/26) <3w: 0.553 (4.57e+04/8.27e+04) Model 10 Missing interactions: 0.612 (287/469) weighted: 0.382 (2.5e+05/6.52e+05) <3: 0.76 (19/25) <3w: 0.55 (4.55e+04/8.26e+04) Model 11 Missing interactions: 0.626 (305/487) weighted: 0.45 (3.18e+05/7.07e+05) <3: 0.76 (19/25) <3w: 0.551 (4.53e+04/8.22e+04) Model 12 Missing interactions: 0.616 (284/461) weighted: 0.462 (3.3e+05/7.14e+05) <3: 0.76 (19/25) <3w: 0.544 (4.49e+04/8.26e+04) Model 13 Missing interactions: 0.607 (297/489) weighted: 0.453 (3.2e+05/7.07e+05) <3: 0.76 (19/25) <3w: 0.548 (4.48e+04/8.17e+04) Model 14 Missing interactions: 0.599 (276/461) weighted: 0.438 (2.92e+05/6.66e+05) <3: 0.76 (19/25) <3w: 0.55 (4.54e+04/8.25e+04) Model 15 Missing interactions: 0.633 (304/480) weighted: 0.405 (2.81e+05/6.95e+05) <3: 0.76 (19/25) <3w: 0.548 (4.48e+04/8.17e+04) Model 16 Missing interactions: 0.62 (286/461) weighted: 0.391 (2.78e+05/7.11e+05) <3: 0.76 (19/25) <3w: 0.55 (4.55e+04/8.26e+04) Model 17 Missing interactions: 0.62 (289/466) weighted: 0.486 (3.25e+05/6.7e+05) <3: 0.731 (19/26) <3w: 0.552 (4.59e+04/8.31e+04) Model 18 Missing interactions: 0.604 (288/477) weighted: 0.445 (2.87e+05/6.45e+05) <3: 0.76 (19/25) <3w: 0.547 (4.49e+04/8.2e+04) Model 19 Missing interactions: 0.622 (308/495) weighted: 0.476 (3.54e+05/7.45e+05) <3: 0.76 (19/25) <3w: 0.551 (4.52e+04/8.21e+04) Model 20 Missing interactions: 0.602 (277/460) weighted: 0.434 (3.09e+05/7.11e+05) <3: 0.76 (19/25) <3w: 0.548 (4.48e+04/8.17e+04) Model ave Recall: 0.927 Precision: all: 0.419 allw: 0.588 <3: 0.24 <3w: 0.452 F-measure:(Recall,Precision) 0.578 F-measure:(Recall,PrecisionW) 0.72 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.622 Model 1 Recall: 0.902 Precision: all: 0.38 allw: 0.555 <3: 0.24 <3w: 0.449 F-measure:(Recall,Precision) 0.535 F-measure:(Recall,PrecisionW) 0.687 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.62 Model 2 Recall: 0.939 Precision: all: 0.376 allw: 0.463 <3: 0.24 <3w: 0.45 F-measure:(Recall,Precision) 0.537 F-measure:(Recall,PrecisionW) 0.62 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.62 Model 3 Recall: 0.927 Precision: all: 0.382 allw: 0.518 <3: 0.24 <3w: 0.452 F-measure:(Recall,Precision) 0.541 F-measure:(Recall,PrecisionW) 0.665 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.623 Model 4 Recall: 0.915 Precision: all: 0.367 allw: 0.52 <3: 0.269 <3w: 0.454 F-measure:(Recall,Precision) 0.524 F-measure:(Recall,PrecisionW) 0.663 F-measure:(0,PrecisionIdeal) 0.424 F-measure:(0,PrecisionIdealW) 0.624 Model 5 Recall: 0.915 Precision: all: 0.357 allw: 0.513 <3: 0.24 <3w: 0.45 F-measure:(Recall,Precision) 0.514 F-measure:(Recall,PrecisionW) 0.658 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.62 Model 6 Recall: 0.945 Precision: all: 0.383 allw: 0.621 <3: 0.24 <3w: 0.452 F-measure:(Recall,Precision) 0.545 F-measure:(Recall,PrecisionW) 0.75 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.622 Model 7 Recall: 0.939 Precision: all: 0.368 allw: 0.612 <3: 0.24 <3w: 0.45 F-measure:(Recall,Precision) 0.529 F-measure:(Recall,PrecisionW) 0.741 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.621 Model 8 Recall: 0.933 Precision: all: 0.413 allw: 0.651 <3: 0.24 <3w: 0.452 F-measure:(Recall,Precision) 0.572 F-measure:(Recall,PrecisionW) 0.767 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.623 Model 9 Recall: 0.89 Precision: all: 0.391 allw: 0.526 <3: 0.269 <3w: 0.447 F-measure:(Recall,Precision) 0.543 F-measure:(Recall,PrecisionW) 0.662 F-measure:(0,PrecisionIdeal) 0.424 F-measure:(0,PrecisionIdealW) 0.618 Model 10 Recall: 0.915 Precision: all: 0.388 allw: 0.618 <3: 0.24 <3w: 0.45 F-measure:(Recall,Precision) 0.545 F-measure:(Recall,PrecisionW) 0.737 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.62 Model 11 Recall: 0.915 Precision: all: 0.374 allw: 0.55 <3: 0.24 <3w: 0.449 F-measure:(Recall,Precision) 0.531 F-measure:(Recall,PrecisionW) 0.687 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.62 Model 12 Recall: 0.902 Precision: all: 0.384 allw: 0.538 <3: 0.24 <3w: 0.456 F-measure:(Recall,Precision) 0.539 F-measure:(Recall,PrecisionW) 0.674 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.626 Model 13 Recall: 0.921 Precision: all: 0.393 allw: 0.547 <3: 0.24 <3w: 0.452 F-measure:(Recall,Precision) 0.551 F-measure:(Recall,PrecisionW) 0.686 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.622 Model 14 Recall: 0.933 Precision: all: 0.401 allw: 0.562 <3: 0.24 <3w: 0.45 F-measure:(Recall,Precision) 0.561 F-measure:(Recall,PrecisionW) 0.701 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.621 Model 15 Recall: 0.915 Precision: all: 0.367 allw: 0.595 <3: 0.24 <3w: 0.452 F-measure:(Recall,Precision) 0.523 F-measure:(Recall,PrecisionW) 0.721 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.622 Model 16 Recall: 0.915 Precision: all: 0.38 allw: 0.609 <3: 0.24 <3w: 0.45 F-measure:(Recall,Precision) 0.537 F-measure:(Recall,PrecisionW) 0.731 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.62 Model 17 Recall: 0.921 Precision: all: 0.38 allw: 0.514 <3: 0.269 <3w: 0.448 F-measure:(Recall,Precision) 0.538 F-measure:(Recall,PrecisionW) 0.66 F-measure:(0,PrecisionIdeal) 0.424 F-measure:(0,PrecisionIdealW) 0.618 Model 18 Recall: 0.927 Precision: all: 0.396 allw: 0.555 <3: 0.24 <3w: 0.453 F-measure:(Recall,Precision) 0.555 F-measure:(Recall,PrecisionW) 0.694 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.623 Model 19 Recall: 0.939 Precision: all: 0.378 allw: 0.524 <3: 0.24 <3w: 0.449 F-measure:(Recall,Precision) 0.539 F-measure:(Recall,PrecisionW) 0.673 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.62 Model 20 Recall: 0.939 Precision: all: 0.398 allw: 0.566 <3: 0.24 <3w: 0.452 F-measure:(Recall,Precision) 0.559 F-measure:(Recall,PrecisionW) 0.706 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.622 For freely-rotating-chain model: Model ave Inconsistent score: 0.671(110/164) Model ave Missing interactions: 0.588 (57/97) weighted: 0.818 (5.16e+04/6.31e+04) <3: 0.838 (31/37) <3w: 0.898 (4.88e+04/5.44e+04) Recall: 0.329 Precision: all: 0.412 allw: 0.182 F-measure:(RecallFree,PrecisionFree) 0.366 F-measure:(ReallFree,PrecisionFreeW) 0.235 # Summary for c_ali.peaks Total simulated peaks: 969 Number of peaks NOT matched in the Peak List: 121 M score = 0.12 Average shift in HX: 0.00038 Average ab-shift in HX: 0.0027(Assignment used: 424) Average shift in X: 0.00095 Average ab-shift in X: 0.027(Assignment used: 347) Average shift in HX2: 1.2e-05 Average ab-shift in HX2: 0.0028(Assignment used: 526) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.00749(25/3336) Model 1 Inconsistent score: 0.00809(27/3336) Model 2 Inconsistent score: 0.00629(21/3336) Model 3 Inconsistent score: 0.00899(30/3336) Model 4 Inconsistent score: 0.00749(25/3336) Model 5 Inconsistent score: 0.00779(26/3336) Model 6 Inconsistent score: 0.00839(28/3336) Model 7 Inconsistent score: 0.00809(27/3336) Model 8 Inconsistent score: 0.00839(28/3336) Model 9 Inconsistent score: 0.00749(25/3336) Model 10 Inconsistent score: 0.00749(25/3336) Model 11 Inconsistent score: 0.00959(32/3336) Model 12 Inconsistent score: 0.00779(26/3336) Model 13 Inconsistent score: 0.00779(26/3336) Model 14 Inconsistent score: 0.00689(23/3336) Model 15 Inconsistent score: 0.00749(25/3336) Model 16 Inconsistent score: 0.00869(29/3336) Model 17 Inconsistent score: 0.00719(24/3336) Model 18 Inconsistent score: 0.00869(29/3336) Model 19 Inconsistent score: 0.00749(25/3336) Model 20 Inconsistent score: 0.00839(28/3336) Model ave Missing interactions: 0.515 (2.98e+03/5784) weighted: 0.148 (2e+06/1.35e+07) <3: 0.0713 (51/715) <3w: 0.0535 (4.04e+05/7.55e+06) Model 1 Missing interactions: 0.53 (3.24e+03/6105) weighted: 0.209 (3.58e+06/1.71e+07) <3: 0.0712 (51/716) <3w: 0.0486 (3.73e+05/7.67e+06) Model 2 Missing interactions: 0.533 (3.31e+03/6206) weighted: 0.216 (3.82e+06/1.77e+07) <3: 0.0712 (51/716) <3w: 0.0522 (4.02e+05/7.7e+06) Model 3 Missing interactions: 0.526 (3.16e+03/6015) weighted: 0.218 (3.63e+06/1.66e+07) <3: 0.0712 (51/716) <3w: 0.0491 (3.76e+05/7.66e+06) Model 4 Missing interactions: 0.532 (3.34e+03/6271) weighted: 0.205 (3.61e+06/1.76e+07) <3: 0.0713 (51/715) <3w: 0.0514 (3.99e+05/7.76e+06) Model 5 Missing interactions: 0.54 (3.43e+03/6348) weighted: 0.232 (4.14e+06/1.79e+07) <3: 0.0717 (51/711) <3w: 0.0513 (4e+05/7.79e+06) Model 6 Missing interactions: 0.536 (3.32e+03/6188) weighted: 0.218 (3.77e+06/1.72e+07) <3: 0.0718 (51/710) <3w: 0.0537 (4.08e+05/7.59e+06) Model 7 Missing interactions: 0.537 (3.29e+03/6118) weighted: 0.225 (3.94e+06/1.75e+07) <3: 0.0718 (51/710) <3w: 0.0534 (4.16e+05/7.78e+06) Model 8 Missing interactions: 0.532 (3.3e+03/6201) weighted: 0.22 (3.87e+06/1.75e+07) <3: 0.0713 (51/715) <3w: 0.0548 (4.25e+05/7.76e+06) Model 9 Missing interactions: 0.526 (3.22e+03/6114) weighted: 0.201 (3.36e+06/1.67e+07) <3: 0.0713 (51/715) <3w: 0.0528 (4.06e+05/7.69e+06) Model 10 Missing interactions: 0.531 (3.26e+03/6128) weighted: 0.218 (3.81e+06/1.75e+07) <3: 0.0711 (51/717) <3w: 0.0577 (4.44e+05/7.69e+06) Model 11 Missing interactions: 0.531 (3.29e+03/6192) weighted: 0.224 (3.97e+06/1.77e+07) <3: 0.0715 (51/713) <3w: 0.052 (3.98e+05/7.66e+06) Model 12 Missing interactions: 0.529 (3.31e+03/6249) weighted: 0.225 (4.02e+06/1.79e+07) <3: 0.071 (51/718) <3w: 0.0511 (3.97e+05/7.76e+06) Model 13 Missing interactions: 0.533 (3.33e+03/6244) weighted: 0.215 (3.65e+06/1.7e+07) <3: 0.0706 (51/722) <3w: 0.0526 (4.08e+05/7.75e+06) Model 14 Missing interactions: 0.536 (3.33e+03/6216) weighted: 0.216 (3.75e+06/1.74e+07) <3: 0.0712 (51/716) <3w: 0.0524 (4.04e+05/7.72e+06) Model 15 Missing interactions: 0.527 (3.28e+03/6214) weighted: 0.222 (3.91e+06/1.76e+07) <3: 0.0713 (51/715) <3w: 0.0518 (3.97e+05/7.67e+06) Model 16 Missing interactions: 0.53 (3.31e+03/6240) weighted: 0.211 (3.7e+06/1.75e+07) <3: 0.071 (51/718) <3w: 0.0546 (4.25e+05/7.78e+06) Model 17 Missing interactions: 0.538 (3.34e+03/6197) weighted: 0.222 (3.87e+06/1.74e+07) <3: 0.0712 (51/716) <3w: 0.0521 (3.99e+05/7.67e+06) Model 18 Missing interactions: 0.531 (3.32e+03/6253) weighted: 0.22 (3.85e+06/1.75e+07) <3: 0.0714 (51/714) <3w: 0.0523 (4.04e+05/7.72e+06) Model 19 Missing interactions: 0.538 (3.41e+03/6328) weighted: 0.227 (4.04e+06/1.78e+07) <3: 0.0715 (51/713) <3w: 0.0493 (3.81e+05/7.73e+06) Model 20 Missing interactions: 0.529 (3.25e+03/6147) weighted: 0.214 (3.66e+06/1.71e+07) <3: 0.0711 (51/717) <3w: 0.0509 (3.92e+05/7.71e+06) Model ave Recall: 0.993 Precision: all: 0.485 allw: 0.852 <3: 0.929 <3w: 0.947 F-measure:(Recall,Precision) 0.652 F-measure:(Recall,PrecisionW) 0.917 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.973 Model 1 Recall: 0.992 Precision: all: 0.47 allw: 0.791 <3: 0.929 <3w: 0.951 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.975 Model 2 Recall: 0.994 Precision: all: 0.467 allw: 0.784 <3: 0.929 <3w: 0.948 F-measure:(Recall,Precision) 0.635 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.973 Model 3 Recall: 0.991 Precision: all: 0.474 allw: 0.782 <3: 0.929 <3w: 0.951 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.874 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.975 Model 4 Recall: 0.993 Precision: all: 0.468 allw: 0.795 <3: 0.929 <3w: 0.949 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.974 Model 5 Recall: 0.992 Precision: all: 0.46 allw: 0.768 <3: 0.928 <3w: 0.949 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.866 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.974 Model 6 Recall: 0.992 Precision: all: 0.464 allw: 0.782 <3: 0.928 <3w: 0.946 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.874 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.972 Model 7 Recall: 0.992 Precision: all: 0.463 allw: 0.775 <3: 0.928 <3w: 0.947 F-measure:(Recall,Precision) 0.631 F-measure:(Recall,PrecisionW) 0.87 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.973 Model 8 Recall: 0.992 Precision: all: 0.468 allw: 0.78 <3: 0.929 <3w: 0.945 F-measure:(Recall,Precision) 0.636 F-measure:(Recall,PrecisionW) 0.873 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.972 Model 9 Recall: 0.993 Precision: all: 0.474 allw: 0.799 <3: 0.929 <3w: 0.947 F-measure:(Recall,Precision) 0.642 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.973 Model 10 Recall: 0.993 Precision: all: 0.469 allw: 0.782 <3: 0.929 <3w: 0.942 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.875 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.97 Model 11 Recall: 0.99 Precision: all: 0.469 allw: 0.776 <3: 0.928 <3w: 0.948 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.87 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.973 Model 12 Recall: 0.992 Precision: all: 0.471 allw: 0.775 <3: 0.929 <3w: 0.949 F-measure:(Recall,Precision) 0.639 F-measure:(Recall,PrecisionW) 0.87 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.974 Model 13 Recall: 0.992 Precision: all: 0.467 allw: 0.785 <3: 0.929 <3w: 0.947 F-measure:(Recall,Precision) 0.635 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.973 Model 14 Recall: 0.993 Precision: all: 0.464 allw: 0.784 <3: 0.929 <3w: 0.948 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.876 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.973 Model 15 Recall: 0.993 Precision: all: 0.473 allw: 0.778 <3: 0.929 <3w: 0.948 F-measure:(Recall,Precision) 0.64 F-measure:(Recall,PrecisionW) 0.872 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.973 Model 16 Recall: 0.991 Precision: all: 0.47 allw: 0.789 <3: 0.929 <3w: 0.945 F-measure:(Recall,Precision) 0.638 F-measure:(Recall,PrecisionW) 0.879 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.972 Model 17 Recall: 0.993 Precision: all: 0.462 allw: 0.778 <3: 0.929 <3w: 0.948 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.872 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.973 Model 18 Recall: 0.991 Precision: all: 0.469 allw: 0.78 <3: 0.929 <3w: 0.948 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.873 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.973 Model 19 Recall: 0.993 Precision: all: 0.462 allw: 0.773 <3: 0.928 <3w: 0.951 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.869 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.975 Model 20 Recall: 0.992 Precision: all: 0.471 allw: 0.786 <3: 0.929 <3w: 0.949 F-measure:(Recall,Precision) 0.638 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.974 For freely-rotating-chain model: Model ave Inconsistent score: 0.26(867/3336) Model ave Missing interactions: 0.379 (896/2365) weighted: 0.131 (2.31e+05/1.76e+06) <3: 0.0718 (51/710) <3w: 0.0428 (5.45e+04/1.27e+06) Recall: 0.74 Precision: all: 0.621 allw: 0.869 F-measure:(RecallFree,PrecisionFree) 0.675 F-measure:(ReallFree,PrecisionFreeW) 0.799 Final M-score 0.104 123/1.18e+03 Model ave Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.869 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.95 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.924 F-score of ideal true structures: 0.974 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.727 Model 1 Final Recall-score for input query structures: 0.985 Final Precision-score for input query structures: 0.817 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.954 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.893 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.548 Model 2 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.802 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.951 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.885 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.511 Model 3 Final Recall-score for input query structures: 0.985 Final Precision-score for input query structures: 0.807 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.954 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.887 F-score of ideal true structures: 0.976 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.519 Model 4 Final Recall-score for input query structures: 0.985 Final Precision-score for input query structures: 0.819 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.952 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.894 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.56 Model 5 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.793 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.952 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.879 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.478 Model 6 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.81 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.95 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.889 F-score of ideal true structures: 0.974 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.536 Model 7 Final Recall-score for input query structures: 0.985 Final Precision-score for input query structures: 0.804 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.95 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.886 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.516 Model 8 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.81 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.949 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.89 F-score of ideal true structures: 0.974 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.541 Model 9 Final Recall-score for input query structures: 0.984 Final Precision-score for input query structures: 0.82 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.951 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.894 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.56 Model 10 Final Recall-score for input query structures: 0.985 Final Precision-score for input query structures: 0.809 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.947 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.889 F-score of ideal true structures: 0.973 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.538 Model 11 Final Recall-score for input query structures: 0.985 Final Precision-score for input query structures: 0.801 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.951 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.883 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.5 Model 12 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.801 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.952 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.884 F-score of ideal true structures: 0.976 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.503 Model 13 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.812 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.951 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.891 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.543 Model 14 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.813 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.951 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.892 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.549 Model 15 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.807 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.951 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.888 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.527 Model 16 Final Recall-score for input query structures: 0.984 Final Precision-score for input query structures: 0.814 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.949 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.891 F-score of ideal true structures: 0.974 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.546 Model 17 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.802 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.951 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.885 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.511 Model 18 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.806 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.951 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.887 F-score of ideal true structures: 0.975 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.522 Model 19 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.801 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.954 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.884 F-score of ideal true structures: 0.976 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.503 Model 20 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.809 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.952 Final Recall-score for freely-rotating-chain model: 0.727 Final Precision-score for freely-rotating-chain model: 0.868 Summary: F-score of input query structures: 0.889 F-score of ideal true structures: 0.976 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.53 Statistics: =========== NOESY_Assign: User CPU Time: 104 sec. Syst CPU Time: 1.68 sec. Other Processes: User CPU Time: 1.14 sec. Syst CPU Time: 0.09 sec. Total Elapsed Time: 107 sec.