# created by ASDP Version 1.0 Copyright(C) 2010 # Sat May 11 00:30:24 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SSR10_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SSR10_R3Cons_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: 0.0208(33/1585) Model 1 Inconsistent score: 0.0233(37/1585) Model 2 Inconsistent score: 0.0196(31/1585) Model 3 Inconsistent score: 0.0183(29/1585) Model 4 Inconsistent score: 0.0208(33/1585) Model 5 Inconsistent score: 0.0189(30/1585) Model 6 Inconsistent score: 0.0177(28/1585) Model 7 Inconsistent score: 0.0196(31/1585) Model 8 Inconsistent score: 0.0215(34/1585) Model 9 Inconsistent score: 0.0189(30/1585) Model 10 Inconsistent score: 0.0177(28/1585) Model 11 Inconsistent score: 0.0183(29/1585) Model 12 Inconsistent score: 0.0208(33/1585) Model 13 Inconsistent score: 0.0177(28/1585) Model 14 Inconsistent score: 0.0196(31/1585) Model 15 Inconsistent score: 0.0164(26/1585) Model 16 Inconsistent score: 0.0189(30/1585) Model 17 Inconsistent score: 0.0177(28/1585) Model 18 Inconsistent score: 0.0151(24/1585) Model 19 Inconsistent score: 0.0189(30/1585) Model 20 Inconsistent score: 0.0189(30/1585) Model ave Missing interactions: 0.331 (708/2141) weighted: 0.0611 (2.91e+05/4.76e+06) <3: 0.014 (3/215) <3w: 0.000151 (197/1.31e+06) Model 1 Missing interactions: 0.351 (795/2268) weighted: 0.0804 (4.54e+05/5.65e+06) <3: 0.00926 (2/216) <3w: 9.9e-05 (135/1.37e+06) Model 2 Missing interactions: 0.342 (783/2290) weighted: 0.0833 (4.68e+05/5.62e+06) <3: 0.00465 (1/215) <3w: 4.93e-05 (66.4/1.35e+06) Model 3 Missing interactions: 0.35 (817/2335) weighted: 0.0933 (5.18e+05/5.55e+06) <3: 0.00913 (2/219) <3w: 9.76e-05 (134/1.37e+06) Model 4 Missing interactions: 0.349 (805/2305) weighted: 0.0837 (4.56e+05/5.45e+06) <3: 0.00463 (1/216) <3w: 4.97e-05 (67.2/1.35e+06) Model 5 Missing interactions: 0.35 (814/2323) weighted: 0.0817 (4.45e+05/5.45e+06) <3: 0.0138 (3/218) <3w: 0.000147 (200/1.36e+06) Model 6 Missing interactions: 0.35 (810/2314) weighted: 0.0859 (4.76e+05/5.54e+06) <3: 0.00459 (1/218) <3w: 4.95e-05 (67.2/1.36e+06) Model 7 Missing interactions: 0.346 (789/2281) weighted: 0.0733 (4.03e+05/5.5e+06) <3: 0.00917 (2/218) <3w: 0.000102 (135/1.33e+06) Model 8 Missing interactions: 0.341 (782/2291) weighted: 0.0789 (4.26e+05/5.4e+06) <3: 0.00939 (2/213) <3w: 9.92e-05 (135/1.36e+06) Model 9 Missing interactions: 0.344 (789/2294) weighted: 0.0705 (3.83e+05/5.43e+06) <3: 0 (0/214) <3w: 0 (0/1.37e+06) Model 10 Missing interactions: 0.347 (808/2331) weighted: 0.0834 (4.58e+05/5.49e+06) <3: 0.00913 (2/219) <3w: 0.000102 (134/1.31e+06) Model 11 Missing interactions: 0.347 (797/2298) weighted: 0.0814 (4.37e+05/5.38e+06) <3: 0.00465 (1/215) <3w: 4.95e-05 (67.2/1.36e+06) Model 12 Missing interactions: 0.344 (777/2258) weighted: 0.0781 (4.26e+05/5.46e+06) <3: 0.0137 (3/219) <3w: 0.000152 (202/1.33e+06) Model 13 Missing interactions: 0.347 (802/2312) weighted: 0.0838 (4.6e+05/5.49e+06) <3: 0.00901 (2/222) <3w: 0.000102 (134/1.31e+06) Model 14 Missing interactions: 0.343 (788/2300) weighted: 0.073 (4.02e+05/5.5e+06) <3: 0.0136 (3/221) <3w: 0.000153 (202/1.33e+06) Model 15 Missing interactions: 0.348 (800/2299) weighted: 0.084 (4.72e+05/5.62e+06) <3: 0.00939 (2/213) <3w: 9.83e-05 (132/1.34e+06) Model 16 Missing interactions: 0.338 (772/2282) weighted: 0.0773 (4.21e+05/5.45e+06) <3: 0.00909 (2/220) <3w: 0.000102 (134/1.31e+06) Model 17 Missing interactions: 0.349 (815/2335) weighted: 0.074 (4e+05/5.4e+06) <3: 0.00467 (1/214) <3w: 5.04e-05 (66.4/1.32e+06) Model 18 Missing interactions: 0.349 (811/2327) weighted: 0.0808 (4.39e+05/5.44e+06) <3: 0.00913 (2/219) <3w: 0.0001 (134/1.34e+06) Model 19 Missing interactions: 0.343 (790/2301) weighted: 0.0733 (4.02e+05/5.49e+06) <3: 0.0136 (3/220) <3w: 0.000151 (201/1.34e+06) Model 20 Missing interactions: 0.349 (811/2326) weighted: 0.0866 (4.75e+05/5.49e+06) <3: 0.0093 (2/215) <3w: 0.000101 (134/1.32e+06) Model ave Recall: 0.979 Precision: all: 0.669 allw: 0.939 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.795 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.977 Precision: all: 0.649 allw: 0.92 <3: 0.991 <3w: 1 F-measure:(Recall,Precision) 0.78 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.98 Precision: all: 0.658 allw: 0.917 <3: 0.995 <3w: 1 F-measure:(Recall,Precision) 0.788 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.982 Precision: all: 0.65 allw: 0.907 <3: 0.991 <3w: 1 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.943 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.979 Precision: all: 0.651 allw: 0.916 <3: 0.995 <3w: 1 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.981 Precision: all: 0.65 allw: 0.918 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.982 Precision: all: 0.65 allw: 0.914 <3: 0.995 <3w: 1 F-measure:(Recall,Precision) 0.782 F-measure:(Recall,PrecisionW) 0.947 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.98 Precision: all: 0.654 allw: 0.927 <3: 0.991 <3w: 1 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.979 Precision: all: 0.659 allw: 0.921 <3: 0.991 <3w: 1 F-measure:(Recall,Precision) 0.787 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.981 Precision: all: 0.656 allw: 0.93 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.786 F-measure:(Recall,PrecisionW) 0.955 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.982 Precision: all: 0.653 allw: 0.917 <3: 0.991 <3w: 1 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.982 Precision: all: 0.653 allw: 0.919 <3: 0.995 <3w: 1 F-measure:(Recall,Precision) 0.784 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.979 Precision: all: 0.656 allw: 0.922 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.786 F-measure:(Recall,PrecisionW) 0.95 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.982 Precision: all: 0.653 allw: 0.916 <3: 0.991 <3w: 1 F-measure:(Recall,Precision) 0.785 F-measure:(Recall,PrecisionW) 0.948 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.98 Precision: all: 0.657 allw: 0.927 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.787 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.984 Precision: all: 0.652 allw: 0.916 <3: 0.991 <3w: 1 F-measure:(Recall,Precision) 0.784 F-measure:(Recall,PrecisionW) 0.949 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.981 Precision: all: 0.662 allw: 0.923 <3: 0.991 <3w: 1 F-measure:(Recall,Precision) 0.79 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.982 Precision: all: 0.651 allw: 0.926 <3: 0.995 <3w: 1 F-measure:(Recall,Precision) 0.783 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.985 Precision: all: 0.651 allw: 0.919 <3: 0.991 <3w: 1 F-measure:(Recall,Precision) 0.784 F-measure:(Recall,PrecisionW) 0.951 F-measure:(0,PrecisionIdeal) 0.995 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.981 Precision: all: 0.657 allw: 0.927 <3: 0.986 <3w: 1 F-measure:(Recall,Precision) 0.787 F-measure:(Recall,PrecisionW) 0.953 F-measure:(0,PrecisionIdeal) 0.993 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.981 Precision: all: 0.651 allw: 0.913 <3: 0.991 <3w: 1 F-measure:(Recall,Precision) 0.783 F-measure:(Recall,PrecisionW) 0.946 F-measure:(0,PrecisionIdeal) 0.995 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: 0.0671(11/164) Model 1 Inconsistent score: 0.0732(12/164) Model 2 Inconsistent score: 0.0732(12/164) Model 3 Inconsistent score: 0.0732(12/164) Model 4 Inconsistent score: 0.0793(13/164) Model 5 Inconsistent score: 0.0732(12/164) Model 6 Inconsistent score: 0.0549(9/164) Model 7 Inconsistent score: 0.0549(9/164) Model 8 Inconsistent score: 0.0915(15/164) Model 9 Inconsistent score: 0.0854(14/164) Model 10 Inconsistent score: 0.0793(13/164) Model 11 Inconsistent score: 0.0915(15/164) Model 12 Inconsistent score: 0.0671(11/164) Model 13 Inconsistent score: 0.0488(8/164) Model 14 Inconsistent score: 0.0732(12/164) Model 15 Inconsistent score: 0.0732(12/164) Model 16 Inconsistent score: 0.0793(13/164) Model 17 Inconsistent score: 0.0732(12/164) Model 18 Inconsistent score: 0.0732(12/164) Model 19 Inconsistent score: 0.0915(15/164) Model 20 Inconsistent score: 0.0732(12/164) Model ave Missing interactions: 0.598 (278/465) weighted: 0.416 (1.78e+05/4.27e+05) <3: 0.76 (19/25) <3w: 0.555 (4.49e+04/8.09e+04) Model 1 Missing interactions: 0.629 (314/499) weighted: 0.443 (3.25e+05/7.34e+05) <3: 0.72 (18/25) <3w: 0.55 (4.48e+04/8.15e+04) Model 2 Missing interactions: 0.646 (345/534) weighted: 0.438 (3.01e+05/6.87e+05) <3: 0.68 (17/25) <3w: 0.553 (4.53e+04/8.18e+04) Model 3 Missing interactions: 0.646 (347/537) weighted: 0.407 (2.88e+05/7.07e+05) <3: 0.692 (18/26) <3w: 0.546 (4.42e+04/8.1e+04) Model 4 Missing interactions: 0.626 (306/489) weighted: 0.452 (3.07e+05/6.81e+05) <3: 0.708 (17/24) <3w: 0.554 (4.56e+04/8.22e+04) Model 5 Missing interactions: 0.653 (361/553) weighted: 0.425 (3.08e+05/7.23e+05) <3: 0.704 (19/27) <3w: 0.549 (4.48e+04/8.16e+04) Model 6 Missing interactions: 0.646 (343/531) weighted: 0.432 (3.22e+05/7.45e+05) <3: 0.708 (17/24) <3w: 0.554 (4.55e+04/8.22e+04) Model 7 Missing interactions: 0.633 (324/512) weighted: 0.431 (3.16e+05/7.32e+05) <3: 0.692 (18/26) <3w: 0.549 (4.48e+04/8.15e+04) Model 8 Missing interactions: 0.651 (353/542) weighted: 0.443 (3.41e+05/7.7e+05) <3: 0.692 (18/26) <3w: 0.546 (4.43e+04/8.11e+04) Model 9 Missing interactions: 0.651 (353/542) weighted: 0.4 (2.94e+05/7.35e+05) <3: 0.727 (16/22) <3w: 0.561 (4.58e+04/8.15e+04) Model 10 Missing interactions: 0.624 (320/513) weighted: 0.41 (2.65e+05/6.46e+05) <3: 0.72 (18/25) <3w: 0.547 (4.41e+04/8.06e+04) Model 11 Missing interactions: 0.654 (371/567) weighted: 0.43 (3.33e+05/7.74e+05) <3: 0.68 (17/25) <3w: 0.552 (4.53e+04/8.2e+04) Model 12 Missing interactions: 0.623 (312/501) weighted: 0.443 (3.22e+05/7.28e+05) <3: 0.704 (19/27) <3w: 0.556 (4.57e+04/8.23e+04) Model 13 Missing interactions: 0.636 (341/536) weighted: 0.375 (2.72e+05/7.25e+05) <3: 0.692 (18/26) <3w: 0.544 (4.37e+04/8.02e+04) Model 14 Missing interactions: 0.607 (292/481) weighted: 0.377 (2.32e+05/6.15e+05) <3: 0.76 (19/25) <3w: 0.555 (4.53e+04/8.17e+04) Model 15 Missing interactions: 0.659 (357/542) weighted: 0.467 (3.31e+05/7.09e+05) <3: 0.72 (18/25) <3w: 0.555 (4.54e+04/8.19e+04) Model 16 Missing interactions: 0.644 (344/534) weighted: 0.433 (3.13e+05/7.24e+05) <3: 0.692 (18/26) <3w: 0.547 (4.41e+04/8.07e+04) Model 17 Missing interactions: 0.648 (343/529) weighted: 0.448 (3.33e+05/7.44e+05) <3: 0.708 (17/24) <3w: 0.553 (4.55e+04/8.22e+04) Model 18 Missing interactions: 0.612 (305/498) weighted: 0.396 (2.6e+05/6.57e+05) <3: 0.75 (18/24) <3w: 0.548 (4.41e+04/8.05e+04) Model 19 Missing interactions: 0.633 (319/504) weighted: 0.447 (3.42e+05/7.67e+05) <3: 0.731 (19/26) <3w: 0.553 (4.55e+04/8.22e+04) Model 20 Missing interactions: 0.65 (351/540) weighted: 0.44 (3.02e+05/6.87e+05) <3: 0.72 (18/25) <3w: 0.549 (4.45e+04/8.1e+04) Model ave Recall: 0.933 Precision: all: 0.402 allw: 0.584 <3: 0.24 <3w: 0.445 F-measure:(Recall,Precision) 0.562 F-measure:(Recall,PrecisionW) 0.718 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.616 Model 1 Recall: 0.927 Precision: all: 0.371 allw: 0.557 <3: 0.28 <3w: 0.45 F-measure:(Recall,Precision) 0.53 F-measure:(Recall,PrecisionW) 0.696 F-measure:(0,PrecisionIdeal) 0.438 F-measure:(0,PrecisionIdealW) 0.621 Model 2 Recall: 0.927 Precision: all: 0.354 allw: 0.562 <3: 0.32 <3w: 0.447 F-measure:(Recall,Precision) 0.512 F-measure:(Recall,PrecisionW) 0.7 F-measure:(0,PrecisionIdeal) 0.485 F-measure:(0,PrecisionIdealW) 0.617 Model 3 Recall: 0.927 Precision: all: 0.354 allw: 0.593 <3: 0.308 <3w: 0.454 F-measure:(Recall,Precision) 0.512 F-measure:(Recall,PrecisionW) 0.724 F-measure:(0,PrecisionIdeal) 0.471 F-measure:(0,PrecisionIdealW) 0.625 Model 4 Recall: 0.921 Precision: all: 0.374 allw: 0.548 <3: 0.292 <3w: 0.446 F-measure:(Recall,Precision) 0.532 F-measure:(Recall,PrecisionW) 0.687 F-measure:(0,PrecisionIdeal) 0.452 F-measure:(0,PrecisionIdealW) 0.617 Model 5 Recall: 0.927 Precision: all: 0.347 allw: 0.575 <3: 0.296 <3w: 0.451 F-measure:(Recall,Precision) 0.505 F-measure:(Recall,PrecisionW) 0.709 F-measure:(0,PrecisionIdeal) 0.457 F-measure:(0,PrecisionIdealW) 0.621 Model 6 Recall: 0.945 Precision: all: 0.354 allw: 0.568 <3: 0.292 <3w: 0.446 F-measure:(Recall,Precision) 0.515 F-measure:(Recall,PrecisionW) 0.709 F-measure:(0,PrecisionIdeal) 0.452 F-measure:(0,PrecisionIdealW) 0.617 Model 7 Recall: 0.945 Precision: all: 0.367 allw: 0.569 <3: 0.308 <3w: 0.451 F-measure:(Recall,Precision) 0.529 F-measure:(Recall,PrecisionW) 0.71 F-measure:(0,PrecisionIdeal) 0.471 F-measure:(0,PrecisionIdealW) 0.622 Model 8 Recall: 0.909 Precision: all: 0.349 allw: 0.557 <3: 0.308 <3w: 0.454 F-measure:(Recall,Precision) 0.504 F-measure:(Recall,PrecisionW) 0.69 F-measure:(0,PrecisionIdeal) 0.471 F-measure:(0,PrecisionIdealW) 0.624 Model 9 Recall: 0.915 Precision: all: 0.349 allw: 0.6 <3: 0.273 <3w: 0.439 F-measure:(Recall,Precision) 0.505 F-measure:(Recall,PrecisionW) 0.725 F-measure:(0,PrecisionIdeal) 0.429 F-measure:(0,PrecisionIdealW) 0.61 Model 10 Recall: 0.921 Precision: all: 0.376 allw: 0.59 <3: 0.28 <3w: 0.453 F-measure:(Recall,Precision) 0.534 F-measure:(Recall,PrecisionW) 0.719 F-measure:(0,PrecisionIdeal) 0.438 F-measure:(0,PrecisionIdealW) 0.623 Model 11 Recall: 0.909 Precision: all: 0.346 allw: 0.57 <3: 0.32 <3w: 0.448 F-measure:(Recall,Precision) 0.501 F-measure:(Recall,PrecisionW) 0.7 F-measure:(0,PrecisionIdeal) 0.485 F-measure:(0,PrecisionIdealW) 0.618 Model 12 Recall: 0.933 Precision: all: 0.377 allw: 0.557 <3: 0.296 <3w: 0.444 F-measure:(Recall,Precision) 0.537 F-measure:(Recall,PrecisionW) 0.698 F-measure:(0,PrecisionIdeal) 0.457 F-measure:(0,PrecisionIdealW) 0.615 Model 13 Recall: 0.951 Precision: all: 0.364 allw: 0.625 <3: 0.308 <3w: 0.456 F-measure:(Recall,Precision) 0.526 F-measure:(Recall,PrecisionW) 0.755 F-measure:(0,PrecisionIdeal) 0.471 F-measure:(0,PrecisionIdealW) 0.626 Model 14 Recall: 0.927 Precision: all: 0.393 allw: 0.623 <3: 0.24 <3w: 0.445 F-measure:(Recall,Precision) 0.552 F-measure:(Recall,PrecisionW) 0.745 F-measure:(0,PrecisionIdeal) 0.387 F-measure:(0,PrecisionIdealW) 0.616 Model 15 Recall: 0.927 Precision: all: 0.341 allw: 0.533 <3: 0.28 <3w: 0.445 F-measure:(Recall,Precision) 0.499 F-measure:(Recall,PrecisionW) 0.677 F-measure:(0,PrecisionIdeal) 0.438 F-measure:(0,PrecisionIdealW) 0.616 Model 16 Recall: 0.921 Precision: all: 0.356 allw: 0.567 <3: 0.308 <3w: 0.453 F-measure:(Recall,Precision) 0.513 F-measure:(Recall,PrecisionW) 0.702 F-measure:(0,PrecisionIdeal) 0.471 F-measure:(0,PrecisionIdealW) 0.624 Model 17 Recall: 0.927 Precision: all: 0.352 allw: 0.552 <3: 0.292 <3w: 0.447 F-measure:(Recall,Precision) 0.51 F-measure:(Recall,PrecisionW) 0.692 F-measure:(0,PrecisionIdeal) 0.452 F-measure:(0,PrecisionIdealW) 0.618 Model 18 Recall: 0.927 Precision: all: 0.388 allw: 0.604 <3: 0.25 <3w: 0.452 F-measure:(Recall,Precision) 0.547 F-measure:(Recall,PrecisionW) 0.732 F-measure:(0,PrecisionIdeal) 0.4 F-measure:(0,PrecisionIdealW) 0.623 Model 19 Recall: 0.909 Precision: all: 0.367 allw: 0.553 <3: 0.269 <3w: 0.447 F-measure:(Recall,Precision) 0.523 F-measure:(Recall,PrecisionW) 0.688 F-measure:(0,PrecisionIdeal) 0.424 F-measure:(0,PrecisionIdealW) 0.618 Model 20 Recall: 0.927 Precision: all: 0.35 allw: 0.56 <3: 0.28 <3w: 0.451 F-measure:(Recall,Precision) 0.508 F-measure:(Recall,PrecisionW) 0.698 F-measure:(0,PrecisionIdeal) 0.438 F-measure:(0,PrecisionIdealW) 0.621 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: 0.00719(24/3336) Model 1 Inconsistent score: 0.00839(28/3336) Model 2 Inconsistent score: 0.006(20/3336) Model 3 Inconsistent score: 0.00659(22/3336) Model 4 Inconsistent score: 0.00719(24/3336) Model 5 Inconsistent score: 0.0057(19/3336) Model 6 Inconsistent score: 0.0057(19/3336) Model 7 Inconsistent score: 0.00659(22/3336) Model 8 Inconsistent score: 0.00839(28/3336) Model 9 Inconsistent score: 0.00719(24/3336) Model 10 Inconsistent score: 0.00719(24/3336) Model 11 Inconsistent score: 0.0054(18/3336) Model 12 Inconsistent score: 0.00629(21/3336) Model 13 Inconsistent score: 0.0057(19/3336) Model 14 Inconsistent score: 0.00719(24/3336) Model 15 Inconsistent score: 0.00659(22/3336) Model 16 Inconsistent score: 0.00689(23/3336) Model 17 Inconsistent score: 0.006(20/3336) Model 18 Inconsistent score: 0.00779(26/3336) Model 19 Inconsistent score: 0.00719(24/3336) Model 20 Inconsistent score: 0.00629(21/3336) Model ave Missing interactions: 0.52 (3.1e+03/5954) weighted: 0.155 (2.24e+06/1.44e+07) <3: 0.071 (51/718) <3w: 0.0487 (3.67e+05/7.53e+06) Model 1 Missing interactions: 0.536 (3.41e+03/6371) weighted: 0.199 (3.49e+06/1.75e+07) <3: 0.0709 (51/719) <3w: 0.0464 (3.61e+05/7.78e+06) Model 2 Missing interactions: 0.537 (3.49e+03/6504) weighted: 0.21 (3.71e+06/1.77e+07) <3: 0.071 (51/718) <3w: 0.0446 (3.42e+05/7.68e+06) Model 3 Missing interactions: 0.542 (3.51e+03/6474) weighted: 0.21 (3.71e+06/1.77e+07) <3: 0.0707 (51/721) <3w: 0.0468 (3.62e+05/7.74e+06) Model 4 Missing interactions: 0.537 (3.48e+03/6480) weighted: 0.202 (3.55e+06/1.76e+07) <3: 0.0706 (51/722) <3w: 0.0458 (3.54e+05/7.73e+06) Model 5 Missing interactions: 0.538 (3.5e+03/6514) weighted: 0.206 (3.65e+06/1.77e+07) <3: 0.0709 (51/719) <3w: 0.0453 (3.53e+05/7.79e+06) Model 6 Missing interactions: 0.543 (3.53e+03/6501) weighted: 0.214 (3.78e+06/1.77e+07) <3: 0.0706 (51/722) <3w: 0.0449 (3.46e+05/7.71e+06) Model 7 Missing interactions: 0.537 (3.43e+03/6387) weighted: 0.202 (3.47e+06/1.72e+07) <3: 0.0706 (51/722) <3w: 0.0453 (3.5e+05/7.73e+06) Model 8 Missing interactions: 0.541 (3.49e+03/6441) weighted: 0.214 (3.7e+06/1.73e+07) <3: 0.0713 (51/715) <3w: 0.0473 (3.65e+05/7.72e+06) Model 9 Missing interactions: 0.541 (3.45e+03/6386) weighted: 0.203 (3.53e+06/1.73e+07) <3: 0.0708 (51/720) <3w: 0.0484 (3.77e+05/7.79e+06) Model 10 Missing interactions: 0.538 (3.51e+03/6522) weighted: 0.208 (3.63e+06/1.74e+07) <3: 0.0706 (51/722) <3w: 0.0473 (3.67e+05/7.76e+06) Model 11 Missing interactions: 0.539 (3.5e+03/6487) weighted: 0.214 (3.74e+06/1.75e+07) <3: 0.0708 (51/720) <3w: 0.0493 (3.86e+05/7.82e+06) Model 12 Missing interactions: 0.531 (3.41e+03/6419) weighted: 0.2 (3.46e+06/1.73e+07) <3: 0.0708 (51/720) <3w: 0.0459 (3.5e+05/7.63e+06) Model 13 Missing interactions: 0.544 (3.5e+03/6438) weighted: 0.207 (3.59e+06/1.73e+07) <3: 0.0704 (51/724) <3w: 0.0474 (3.65e+05/7.7e+06) Model 14 Missing interactions: 0.536 (3.48e+03/6487) weighted: 0.201 (3.52e+06/1.75e+07) <3: 0.0704 (51/724) <3w: 0.0474 (3.65e+05/7.71e+06) Model 15 Missing interactions: 0.54 (3.45e+03/6391) weighted: 0.203 (3.52e+06/1.73e+07) <3: 0.0712 (51/716) <3w: 0.0458 (3.52e+05/7.68e+06) Model 16 Missing interactions: 0.535 (3.47e+03/6482) weighted: 0.209 (3.64e+06/1.75e+07) <3: 0.0706 (51/722) <3w: 0.0465 (3.6e+05/7.73e+06) Model 17 Missing interactions: 0.539 (3.51e+03/6502) weighted: 0.207 (3.65e+06/1.76e+07) <3: 0.071 (51/718) <3w: 0.0471 (3.64e+05/7.74e+06) Model 18 Missing interactions: 0.542 (3.53e+03/6511) weighted: 0.203 (3.55e+06/1.75e+07) <3: 0.0705 (51/723) <3w: 0.0464 (3.59e+05/7.74e+06) Model 19 Missing interactions: 0.536 (3.46e+03/6457) weighted: 0.199 (3.41e+06/1.71e+07) <3: 0.0706 (51/722) <3w: 0.0489 (3.74e+05/7.65e+06) Model 20 Missing interactions: 0.537 (3.5e+03/6514) weighted: 0.208 (3.73e+06/1.79e+07) <3: 0.071 (51/718) <3w: 0.0449 (3.46e+05/7.7e+06) Model ave Recall: 0.993 Precision: all: 0.48 allw: 0.845 <3: 0.929 <3w: 0.951 F-measure:(Recall,Precision) 0.647 F-measure:(Recall,PrecisionW) 0.913 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.975 Model 1 Recall: 0.992 Precision: all: 0.464 allw: 0.801 <3: 0.929 <3w: 0.954 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.976 Model 2 Recall: 0.994 Precision: all: 0.463 allw: 0.79 <3: 0.929 <3w: 0.955 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.977 Model 3 Recall: 0.993 Precision: all: 0.458 allw: 0.79 <3: 0.929 <3w: 0.953 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.88 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.976 Model 4 Recall: 0.993 Precision: all: 0.462 allw: 0.798 <3: 0.929 <3w: 0.954 F-measure:(Recall,Precision) 0.631 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.977 Model 5 Recall: 0.994 Precision: all: 0.462 allw: 0.794 <3: 0.929 <3w: 0.955 F-measure:(Recall,Precision) 0.631 F-measure:(Recall,PrecisionW) 0.883 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.977 Model 6 Recall: 0.994 Precision: all: 0.457 allw: 0.786 <3: 0.929 <3w: 0.955 F-measure:(Recall,Precision) 0.626 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.977 Model 7 Recall: 0.993 Precision: all: 0.463 allw: 0.798 <3: 0.929 <3w: 0.955 F-measure:(Recall,Precision) 0.631 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.977 Model 8 Recall: 0.992 Precision: all: 0.459 allw: 0.786 <3: 0.929 <3w: 0.953 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.877 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.976 Model 9 Recall: 0.993 Precision: all: 0.459 allw: 0.797 <3: 0.929 <3w: 0.952 F-measure:(Recall,Precision) 0.628 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.975 Model 10 Recall: 0.993 Precision: all: 0.462 allw: 0.792 <3: 0.929 <3w: 0.953 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.976 Model 11 Recall: 0.995 Precision: all: 0.461 allw: 0.786 <3: 0.929 <3w: 0.951 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.878 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.975 Model 12 Recall: 0.994 Precision: all: 0.469 allw: 0.8 <3: 0.929 <3w: 0.954 F-measure:(Recall,Precision) 0.637 F-measure:(Recall,PrecisionW) 0.887 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.977 Model 13 Recall: 0.994 Precision: all: 0.456 allw: 0.793 <3: 0.93 <3w: 0.953 F-measure:(Recall,Precision) 0.625 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.976 Model 14 Recall: 0.993 Precision: all: 0.464 allw: 0.799 <3: 0.93 <3w: 0.953 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.885 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.976 Model 15 Recall: 0.993 Precision: all: 0.46 allw: 0.797 <3: 0.929 <3w: 0.954 F-measure:(Recall,Precision) 0.629 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.977 Model 16 Recall: 0.993 Precision: all: 0.465 allw: 0.791 <3: 0.929 <3w: 0.954 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.976 Model 17 Recall: 0.994 Precision: all: 0.461 allw: 0.793 <3: 0.929 <3w: 0.953 F-measure:(Recall,Precision) 0.63 F-measure:(Recall,PrecisionW) 0.882 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.976 Model 18 Recall: 0.992 Precision: all: 0.458 allw: 0.797 <3: 0.929 <3w: 0.954 F-measure:(Recall,Precision) 0.627 F-measure:(Recall,PrecisionW) 0.884 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.976 Model 19 Recall: 0.993 Precision: all: 0.464 allw: 0.801 <3: 0.929 <3w: 0.951 F-measure:(Recall,Precision) 0.633 F-measure:(Recall,PrecisionW) 0.886 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.975 Model 20 Recall: 0.994 Precision: all: 0.463 allw: 0.792 <3: 0.929 <3w: 0.955 F-measure:(Recall,Precision) 0.632 F-measure:(Recall,PrecisionW) 0.881 F-measure:(0,PrecisionIdeal) 0.963 F-measure:(0,PrecisionIdealW) 0.977 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: 0.862 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: 0.92 F-score of ideal true structures: 0.976 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.697 Model 1 Final Recall-score for input query structures: 0.985 Final Precision-score for input query structures: 0.821 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 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: 0.896 F-score of ideal true structures: 0.978 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.561 Model 2 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: 0.957 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: 0.978 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.54 Model 3 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.812 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 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: 0.977 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.538 Model 4 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.818 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 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: 0.978 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.551 Model 5 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.816 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.957 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: 0.978 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.551 Model 6 Final Recall-score for input query structures: 0.989 Final Precision-score for input query structures: 0.809 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.957 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: 0.978 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.529 Model 7 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.821 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.957 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: 0.897 F-score of ideal true structures: 0.978 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.567 Model 8 Final Recall-score for input query structures: 0.985 Final Precision-score for input query structures: 0.81 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 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: 0.977 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.527 Model 9 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.821 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: 0.896 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.565 Model 10 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.815 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 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 11 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.809 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.953 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: 0.976 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.535 Model 12 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.821 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 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: 0.896 F-score of ideal true structures: 0.978 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.561 Model 13 Final Recall-score for input query structures: 0.989 Final Precision-score for input query structures: 0.817 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 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: 0.895 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.559 Model 14 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.824 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 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: 0.898 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.575 Model 15 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.817 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 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: 0.895 F-score of ideal true structures: 0.978 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.556 Model 16 Final Recall-score for input query structures: 0.987 Final Precision-score for input query structures: 0.815 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 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 17 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.816 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.955 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: 0.977 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.554 Model 18 Final Recall-score for input query structures: 0.988 Final Precision-score for input query structures: 0.82 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.956 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: 0.896 F-score of ideal true structures: 0.977 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.565 Model 19 Final Recall-score for input query structures: 0.986 Final Precision-score for input query structures: 0.822 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: 0.897 F-score of ideal true structures: 0.976 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.573 Model 20 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: 0.957 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: 0.978 F-score of freely-rotating-chain model: 0.791 DP-Score: 0.54 Statistics: =========== NOESY_Assign: User CPU Time: 104 sec. Syst CPU Time: 1.61 sec. Other Processes: User CPU Time: 1.14 sec. Syst CPU Time: 0.08 sec. Total Elapsed Time: 107 sec.