# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 18:31:15 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/SR478_R3_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q SR478_R3_em_bcr3.pdb.iupac 


# Summary for n.peaks
Total simulated peaks: 95 Number of peaks NOT matched in the Peak List: 21
M score = 0.22

Average shift in HX: -0.00033 Average ab-shift in HX: 0.0031(Assignment used: 47)
Average shift in X: -0.0042 Average ab-shift in X: 0.029(Assignment used: 47)
Average shift in HX2: -0.011 Average ab-shift in HX2: 0.019(Assignment used: 64)

#For peaklist n.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.299(248/830) 
Model   1 Inconsistent score: 0.281(233/830) 
Model   2 Inconsistent score: 0.29(241/830) 
Model   3 Inconsistent score: 0.272(226/830) 
Model   4 Inconsistent score: 0.269(223/830) 
Model   5 Inconsistent score: 0.28(232/830) 
Model   6 Inconsistent score: 0.278(231/830) 
Model   7 Inconsistent score: 0.27(224/830) 
Model   8 Inconsistent score: 0.282(234/830) 
Model   9 Inconsistent score: 0.266(221/830) 
Model  10 Inconsistent score: 0.28(232/830) 
Model  11 Inconsistent score: 0.281(233/830) 
Model  12 Inconsistent score: 0.282(234/830) 
Model  13 Inconsistent score: 0.278(231/830) 
Model  14 Inconsistent score: 0.283(235/830) 
Model  15 Inconsistent score: 0.278(231/830) 
Model  16 Inconsistent score: 0.265(220/830) 
Model  17 Inconsistent score: 0.294(244/830) 
Model  18 Inconsistent score: 0.288(239/830) 
Model  19 Inconsistent score: 0.286(237/830) 
Model  20 Inconsistent score: 0.276(229/830) 
Model ave  Missing interactions: 0.321 (289/901)
              weighted: 0.177 (3.42e+05/1.93e+06)
                    <3: 0.181 (17/94)
                   <3w: 0.217 (7.84e+04/3.62e+05)
Model   1  Missing interactions: 0.351 (359/1022)
              weighted: 0.18 (4.68e+05/2.59e+06)
                    <3: 0.181 (17/94)
                   <3w: 0.211 (8.21e+04/3.89e+05)
Model   2  Missing interactions: 0.357 (360/1009)
              weighted: 0.2 (5.04e+05/2.52e+06)
                    <3: 0.181 (17/94)
                   <3w: 0.201 (7.62e+04/3.8e+05)
Model   3  Missing interactions: 0.37 (390/1053)
              weighted: 0.168 (4.03e+05/2.4e+06)
                    <3: 0.175 (17/97)
                   <3w: 0.166 (6.22e+04/3.75e+05)
Model   4  Missing interactions: 0.346 (351/1014)
              weighted: 0.19 (4.58e+05/2.41e+06)
                    <3: 0.177 (17/96)
                   <3w: 0.212 (8.33e+04/3.93e+05)
Model   5  Missing interactions: 0.342 (338/988)
              weighted: 0.205 (5.17e+05/2.52e+06)
                    <3: 0.179 (17/95)
                   <3w: 0.162 (6.54e+04/4.03e+05)
Model   6  Missing interactions: 0.367 (375/1023)
              weighted: 0.215 (5.27e+05/2.45e+06)
                    <3: 0.183 (17/93)
                   <3w: 0.19 (7.39e+04/3.89e+05)
Model   7  Missing interactions: 0.345 (351/1016)
              weighted: 0.18 (4.26e+05/2.37e+06)
                    <3: 0.181 (17/94)
                   <3w: 0.169 (6.17e+04/3.66e+05)
Model   8  Missing interactions: 0.341 (337/989)
              weighted: 0.169 (4.18e+05/2.47e+06)
                    <3: 0.181 (17/94)
                   <3w: 0.214 (8.4e+04/3.93e+05)
Model   9  Missing interactions: 0.333 (337/1011)
              weighted: 0.184 (4.38e+05/2.37e+06)
                    <3: 0.179 (17/95)
                   <3w: 0.215 (8.21e+04/3.82e+05)
Model  10  Missing interactions: 0.368 (371/1007)
              weighted: 0.172 (4.07e+05/2.36e+06)
                    <3: 0.175 (17/97)
                   <3w: 0.188 (7.2e+04/3.83e+05)
Model  11  Missing interactions: 0.365 (371/1017)
              weighted: 0.211 (5.29e+05/2.51e+06)
                    <3: 0.181 (17/94)
                   <3w: 0.197 (8.33e+04/4.23e+05)
Model  12  Missing interactions: 0.35 (346/988)
              weighted: 0.191 (4.66e+05/2.44e+06)
                    <3: 0.173 (17/98)
                   <3w: 0.234 (8.45e+04/3.61e+05)
Model  13  Missing interactions: 0.368 (381/1034)
              weighted: 0.181 (4.21e+05/2.33e+06)
                    <3: 0.177 (17/96)
                   <3w: 0.191 (7.02e+04/3.68e+05)
Model  14  Missing interactions: 0.365 (370/1014)
              weighted: 0.176 (4.55e+05/2.59e+06)
                    <3: 0.179 (17/95)
                   <3w: 0.209 (8.33e+04/3.99e+05)
Model  15  Missing interactions: 0.35 (352/1006)
              weighted: 0.185 (4.8e+05/2.59e+06)
                    <3: 0.172 (17/99)
                   <3w: 0.25 (9.49e+04/3.8e+05)
Model  16  Missing interactions: 0.35 (357/1020)
              weighted: 0.191 (4.7e+05/2.46e+06)
                    <3: 0.173 (17/98)
                   <3w: 0.175 (7.25e+04/4.14e+05)
Model  17  Missing interactions: 0.352 (348/989)
              weighted: 0.198 (4.97e+05/2.51e+06)
                    <3: 0.179 (17/95)
                   <3w: 0.207 (8.37e+04/4.04e+05)
Model  18  Missing interactions: 0.353 (356/1008)
              weighted: 0.191 (4.64e+05/2.43e+06)
                    <3: 0.181 (17/94)
                   <3w: 0.215 (8.33e+04/3.87e+05)
Model  19  Missing interactions: 0.34 (338/994)
              weighted: 0.183 (4.73e+05/2.58e+06)
                    <3: 0.175 (17/97)
                   <3w: 0.229 (9.35e+04/4.08e+05)
Model  20  Missing interactions: 0.351 (361/1029)
              weighted: 0.186 (4.81e+05/2.59e+06)
                    <3: 0.177 (17/96)
                   <3w: 0.162 (6.17e+04/3.8e+05)

Model ave
 Recall: 0.701
 Precision: 
       all: 0.679  allw: 0.823
        <3: 0.819  <3w: 0.783

 F-measure:(Recall,Precision)  0.69
 F-measure:(Recall,PrecisionW) 0.757

 F-measure:(0,PrecisionIdeal)  0.901
 F-measure:(0,PrecisionIdealW) 0.879

Model 1
 Recall: 0.719
 Precision: 
       all: 0.649  allw: 0.82
        <3: 0.819  <3w: 0.789

 F-measure:(Recall,Precision)  0.682
 F-measure:(Recall,PrecisionW) 0.766

 F-measure:(0,PrecisionIdeal)  0.901
 F-measure:(0,PrecisionIdealW) 0.882

Model 2
 Recall: 0.71
 Precision: 
       all: 0.643  allw: 0.8
        <3: 0.819  <3w: 0.799

 F-measure:(Recall,Precision)  0.675
 F-measure:(Recall,PrecisionW) 0.752

 F-measure:(0,PrecisionIdeal)  0.901
 F-measure:(0,PrecisionIdealW) 0.889

Model 3
 Recall: 0.728
 Precision: 
       all: 0.63  allw: 0.832
        <3: 0.825  <3w: 0.834

 F-measure:(Recall,Precision)  0.675
 F-measure:(Recall,PrecisionW) 0.777

 F-measure:(0,PrecisionIdeal)  0.904
 F-measure:(0,PrecisionIdealW) 0.91

Model 4
 Recall: 0.731
 Precision: 
       all: 0.654  allw: 0.81
        <3: 0.823  <3w: 0.788

 F-measure:(Recall,Precision)  0.69
 F-measure:(Recall,PrecisionW) 0.768

 F-measure:(0,PrecisionIdeal)  0.903
 F-measure:(0,PrecisionIdealW) 0.882

Model 5
 Recall: 0.72
 Precision: 
       all: 0.658  allw: 0.795
        <3: 0.821  <3w: 0.838

 F-measure:(Recall,Precision)  0.688
 F-measure:(Recall,PrecisionW) 0.756

 F-measure:(0,PrecisionIdeal)  0.902
 F-measure:(0,PrecisionIdealW) 0.912

Model 6
 Recall: 0.722
 Precision: 
       all: 0.633  allw: 0.785
        <3: 0.817  <3w: 0.81

 F-measure:(Recall,Precision)  0.675
 F-measure:(Recall,PrecisionW) 0.752

 F-measure:(0,PrecisionIdeal)  0.899
 F-measure:(0,PrecisionIdealW) 0.895

Model 7
 Recall: 0.73
 Precision: 
       all: 0.655  allw: 0.82
        <3: 0.819  <3w: 0.831

 F-measure:(Recall,Precision)  0.69
 F-measure:(Recall,PrecisionW) 0.772

 F-measure:(0,PrecisionIdeal)  0.901
 F-measure:(0,PrecisionIdealW) 0.908

Model 8
 Recall: 0.718
 Precision: 
       all: 0.659  allw: 0.831
        <3: 0.819  <3w: 0.786

 F-measure:(Recall,Precision)  0.687
 F-measure:(Recall,PrecisionW) 0.77

 F-measure:(0,PrecisionIdeal)  0.901
 F-measure:(0,PrecisionIdealW) 0.88

Model 9
 Recall: 0.734
 Precision: 
       all: 0.667  allw: 0.816
        <3: 0.821  <3w: 0.785

 F-measure:(Recall,Precision)  0.699
 F-measure:(Recall,PrecisionW) 0.772

 F-measure:(0,PrecisionIdeal)  0.902
 F-measure:(0,PrecisionIdealW) 0.879

Model 10
 Recall: 0.72
 Precision: 
       all: 0.632  allw: 0.828
        <3: 0.825  <3w: 0.812

 F-measure:(Recall,Precision)  0.673
 F-measure:(Recall,PrecisionW) 0.77

 F-measure:(0,PrecisionIdeal)  0.904
 F-measure:(0,PrecisionIdealW) 0.896

Model 11
 Recall: 0.719
 Precision: 
       all: 0.635  allw: 0.789
        <3: 0.819  <3w: 0.803

 F-measure:(Recall,Precision)  0.675
 F-measure:(Recall,PrecisionW) 0.753

 F-measure:(0,PrecisionIdeal)  0.901
 F-measure:(0,PrecisionIdealW) 0.891

Model 12
 Recall: 0.718
 Precision: 
       all: 0.65  allw: 0.809
        <3: 0.827  <3w: 0.766

 F-measure:(Recall,Precision)  0.682
 F-measure:(Recall,PrecisionW) 0.761

 F-measure:(0,PrecisionIdeal)  0.905
 F-measure:(0,PrecisionIdealW) 0.868

Model 13
 Recall: 0.722
 Precision: 
       all: 0.632  allw: 0.819
        <3: 0.823  <3w: 0.809

 F-measure:(Recall,Precision)  0.674
 F-measure:(Recall,PrecisionW) 0.767

 F-measure:(0,PrecisionIdeal)  0.903
 F-measure:(0,PrecisionIdealW) 0.895

Model 14
 Recall: 0.717
 Precision: 
       all: 0.635  allw: 0.824
        <3: 0.821  <3w: 0.791

 F-measure:(Recall,Precision)  0.674
 F-measure:(Recall,PrecisionW) 0.767

 F-measure:(0,PrecisionIdeal)  0.902
 F-measure:(0,PrecisionIdealW) 0.883

Model 15
 Recall: 0.722
 Precision: 
       all: 0.65  allw: 0.815
        <3: 0.828  <3w: 0.75

 F-measure:(Recall,Precision)  0.684
 F-measure:(Recall,PrecisionW) 0.765

 F-measure:(0,PrecisionIdeal)  0.906
 F-measure:(0,PrecisionIdealW) 0.857

Model 16
 Recall: 0.735
 Precision: 
       all: 0.65  allw: 0.809
        <3: 0.827  <3w: 0.825

 F-measure:(Recall,Precision)  0.69
 F-measure:(Recall,PrecisionW) 0.77

 F-measure:(0,PrecisionIdeal)  0.905
 F-measure:(0,PrecisionIdealW) 0.904

Model 17
 Recall: 0.706
 Precision: 
       all: 0.648  allw: 0.802
        <3: 0.821  <3w: 0.793

 F-measure:(Recall,Precision)  0.676
 F-measure:(Recall,PrecisionW) 0.751

 F-measure:(0,PrecisionIdeal)  0.902
 F-measure:(0,PrecisionIdealW) 0.884

Model 18
 Recall: 0.712
 Precision: 
       all: 0.647  allw: 0.809
        <3: 0.819  <3w: 0.785

 F-measure:(Recall,Precision)  0.678
 F-measure:(Recall,PrecisionW) 0.758

 F-measure:(0,PrecisionIdeal)  0.901
 F-measure:(0,PrecisionIdealW) 0.879

Model 19
 Recall: 0.714
 Precision: 
       all: 0.66  allw: 0.817
        <3: 0.825  <3w: 0.771

 F-measure:(Recall,Precision)  0.686
 F-measure:(Recall,PrecisionW) 0.762

 F-measure:(0,PrecisionIdeal)  0.904
 F-measure:(0,PrecisionIdealW) 0.871

Model 20
 Recall: 0.724
 Precision: 
       all: 0.649  allw: 0.814
        <3: 0.823  <3w: 0.838

 F-measure:(Recall,Precision)  0.685
 F-measure:(Recall,PrecisionW) 0.767

 F-measure:(0,PrecisionIdeal)  0.903
 F-measure:(0,PrecisionIdealW) 0.912

For freely-rotating-chain model:
Model ave Inconsistent score: 0.522(433/830) 
Model ave  Missing interactions: 0.244 (120/492)
              weighted: 0.234 (6.2e+04/2.65e+05)
                    <3: 0.183 (17/93)
                   <3w: 0.241 (3.16e+04/1.31e+05)

 Recall: 0.478
 Precision: 
       all: 0.756  allw: 0.766

 F-measure:(RecallFree,PrecisionFree)  0.586
 F-measure:(ReallFree,PrecisionFreeW) 0.589

# Summary for c_aro.peaks
Total simulated peaks: 7 Number of peaks NOT matched in the Peak List: 6
M score = 0.86

Average shift in HX: 0 Average ab-shift in HX: 0(Assignment used: 1)
Average shift in X: 0 Average ab-shift in X: 0(Assignment used: 1)
Average shift in HX2: 0 Average ab-shift in HX2: 0(Assignment used: 1)
Input error: M-score > 0.5

# Summary for c_ali.peaks
Total simulated peaks: 419 Number of peaks NOT matched in the Peak List: 189
M score = 0.45

Average shift in HX: -0.0055 Average ab-shift in HX: 0.013(Assignment used: 125)
Average shift in X: -0.013 Average ab-shift in X: 0.12(Assignment used: 118)
Average shift in HX2: -0.0039 Average ab-shift in HX2: 0.015(Assignment used: 147)

#For peaklist c_ali.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.269(295/1098) 
Model   1 Inconsistent score: 0.246(270/1098) 
Model   2 Inconsistent score: 0.23(252/1098) 
Model   3 Inconsistent score: 0.236(259/1098) 
Model   4 Inconsistent score: 0.229(251/1098) 
Model   5 Inconsistent score: 0.245(269/1098) 
Model   6 Inconsistent score: 0.241(265/1098) 
Model   7 Inconsistent score: 0.242(266/1098) 
Model   8 Inconsistent score: 0.246(270/1098) 
Model   9 Inconsistent score: 0.241(265/1098) 
Model  10 Inconsistent score: 0.242(266/1098) 
Model  11 Inconsistent score: 0.238(261/1098) 
Model  12 Inconsistent score: 0.25(275/1098) 
Model  13 Inconsistent score: 0.237(260/1098) 
Model  14 Inconsistent score: 0.251(276/1098) 
Model  15 Inconsistent score: 0.243(267/1098) 
Model  16 Inconsistent score: 0.253(278/1098) 
Model  17 Inconsistent score: 0.25(275/1098) 
Model  18 Inconsistent score: 0.244(268/1098) 
Model  19 Inconsistent score: 0.244(268/1098) 
Model  20 Inconsistent score: 0.236(259/1098) 
Model ave  Missing interactions: 0.614 (1.35e+03/2205)
              weighted: 0.403 (2.1e+06/5.2e+06)
                    <3: 0.355 (113/318)
                   <3w: 0.344 (1.03e+06/2.99e+06)
Model   1  Missing interactions: 0.637 (1.65e+03/2587)
              weighted: 0.45 (3.2e+06/7.11e+06)
                    <3: 0.355 (113/318)
                   <3w: 0.328 (1.02e+06/3.11e+06)
Model   2  Missing interactions: 0.636 (1.66e+03/2602)
              weighted: 0.444 (3.23e+06/7.29e+06)
                    <3: 0.355 (113/318)
                   <3w: 0.332 (1.01e+06/3.05e+06)
Model   3  Missing interactions: 0.632 (1.64e+03/2601)
              weighted: 0.439 (3.08e+06/7.02e+06)
                    <3: 0.352 (113/321)
                   <3w: 0.341 (1.05e+06/3.08e+06)
Model   4  Missing interactions: 0.636 (1.68e+03/2640)
              weighted: 0.448 (3.21e+06/7.17e+06)
                    <3: 0.353 (113/320)
                   <3w: 0.326 (1.02e+06/3.12e+06)
Model   5  Missing interactions: 0.63 (1.58e+03/2513)
              weighted: 0.447 (3.19e+06/7.15e+06)
                    <3: 0.354 (113/319)
                   <3w: 0.332 (1.03e+06/3.11e+06)
Model   6  Missing interactions: 0.626 (1.66e+03/2656)
              weighted: 0.438 (3.09e+06/7.06e+06)
                    <3: 0.356 (113/317)
                   <3w: 0.333 (1.02e+06/3.05e+06)
Model   7  Missing interactions: 0.624 (1.57e+03/2510)
              weighted: 0.422 (2.88e+06/6.82e+06)
                    <3: 0.355 (113/318)
                   <3w: 0.33 (1.01e+06/3.07e+06)
Model   8  Missing interactions: 0.626 (1.6e+03/2565)
              weighted: 0.435 (3.12e+06/7.17e+06)
                    <3: 0.355 (113/318)
                   <3w: 0.325 (1.02e+06/3.14e+06)
Model   9  Missing interactions: 0.632 (1.62e+03/2567)
              weighted: 0.457 (3.25e+06/7.1e+06)
                    <3: 0.354 (113/319)
                   <3w: 0.34 (1.05e+06/3.09e+06)
Model  10  Missing interactions: 0.643 (1.63e+03/2538)
              weighted: 0.441 (3.07e+06/6.97e+06)
                    <3: 0.352 (113/321)
                   <3w: 0.323 (1.01e+06/3.12e+06)
Model  11  Missing interactions: 0.638 (1.63e+03/2563)
              weighted: 0.46 (3.36e+06/7.31e+06)
                    <3: 0.355 (113/318)
                   <3w: 0.329 (1.04e+06/3.17e+06)
Model  12  Missing interactions: 0.64 (1.62e+03/2525)
              weighted: 0.46 (3.28e+06/7.12e+06)
                    <3: 0.351 (113/322)
                   <3w: 0.337 (1.04e+06/3.07e+06)
Model  13  Missing interactions: 0.638 (1.69e+03/2651)
              weighted: 0.444 (3.34e+06/7.52e+06)
                    <3: 0.353 (113/320)
                   <3w: 0.323 (1.02e+06/3.14e+06)
Model  14  Missing interactions: 0.644 (1.7e+03/2637)
              weighted: 0.462 (3.38e+06/7.32e+06)
                    <3: 0.354 (113/319)
                   <3w: 0.327 (1.02e+06/3.13e+06)
Model  15  Missing interactions: 0.643 (1.65e+03/2565)
              weighted: 0.476 (3.54e+06/7.43e+06)
                    <3: 0.35 (113/323)
                   <3w: 0.331 (1.03e+06/3.11e+06)
Model  16  Missing interactions: 0.643 (1.69e+03/2633)
              weighted: 0.456 (3.35e+06/7.35e+06)
                    <3: 0.351 (113/322)
                   <3w: 0.327 (1.04e+06/3.17e+06)
Model  17  Missing interactions: 0.634 (1.63e+03/2572)
              weighted: 0.431 (3.05e+06/7.08e+06)
                    <3: 0.354 (113/319)
                   <3w: 0.33 (1.03e+06/3.12e+06)
Model  18  Missing interactions: 0.635 (1.65e+03/2598)
              weighted: 0.446 (3.2e+06/7.17e+06)
                    <3: 0.355 (113/318)
                   <3w: 0.333 (1.02e+06/3.06e+06)
Model  19  Missing interactions: 0.63 (1.63e+03/2587)
              weighted: 0.453 (3.29e+06/7.27e+06)
                    <3: 0.352 (113/321)
                   <3w: 0.339 (1.05e+06/3.09e+06)
Model  20  Missing interactions: 0.637 (1.63e+03/2564)
              weighted: 0.455 (3.26e+06/7.17e+06)
                    <3: 0.353 (113/320)
                   <3w: 0.322 (9.73e+05/3.03e+06)

Model ave
 Recall: 0.731
 Precision: 
       all: 0.386  allw: 0.597
        <3: 0.645  <3w: 0.656

 F-measure:(Recall,Precision)  0.506
 F-measure:(Recall,PrecisionW) 0.657

 F-measure:(0,PrecisionIdeal)  0.784
 F-measure:(0,PrecisionIdealW) 0.792

Model 1
 Recall: 0.754
 Precision: 
       all: 0.363  allw: 0.55
        <3: 0.645  <3w: 0.672

 F-measure:(Recall,Precision)  0.49
 F-measure:(Recall,PrecisionW) 0.636

 F-measure:(0,PrecisionIdeal)  0.784
 F-measure:(0,PrecisionIdealW) 0.804

Model 2
 Recall: 0.77
 Precision: 
       all: 0.364  allw: 0.556
        <3: 0.645  <3w: 0.668

 F-measure:(Recall,Precision)  0.494
 F-measure:(Recall,PrecisionW) 0.646

 F-measure:(0,PrecisionIdeal)  0.784
 F-measure:(0,PrecisionIdealW) 0.801

Model 3
 Recall: 0.764
 Precision: 
       all: 0.368  allw: 0.561
        <3: 0.648  <3w: 0.659

 F-measure:(Recall,Precision)  0.496
 F-measure:(Recall,PrecisionW) 0.647

 F-measure:(0,PrecisionIdeal)  0.786
 F-measure:(0,PrecisionIdealW) 0.794

Model 4
 Recall: 0.771
 Precision: 
       all: 0.364  allw: 0.552
        <3: 0.647  <3w: 0.674

 F-measure:(Recall,Precision)  0.495
 F-measure:(Recall,PrecisionW) 0.644

 F-measure:(0,PrecisionIdeal)  0.786
 F-measure:(0,PrecisionIdealW) 0.805

Model 5
 Recall: 0.755
 Precision: 
       all: 0.37  allw: 0.553
        <3: 0.646  <3w: 0.668

 F-measure:(Recall,Precision)  0.497
 F-measure:(Recall,PrecisionW) 0.639

 F-measure:(0,PrecisionIdeal)  0.785
 F-measure:(0,PrecisionIdealW) 0.801

Model 6
 Recall: 0.759
 Precision: 
       all: 0.374  allw: 0.562
        <3: 0.644  <3w: 0.667

 F-measure:(Recall,Precision)  0.501
 F-measure:(Recall,PrecisionW) 0.646

 F-measure:(0,PrecisionIdeal)  0.783
 F-measure:(0,PrecisionIdealW) 0.801

Model 7
 Recall: 0.758
 Precision: 
       all: 0.376  allw: 0.578
        <3: 0.645  <3w: 0.67

 F-measure:(Recall,Precision)  0.503
 F-measure:(Recall,PrecisionW) 0.656

 F-measure:(0,PrecisionIdeal)  0.784
 F-measure:(0,PrecisionIdealW) 0.803

Model 8
 Recall: 0.754
 Precision: 
       all: 0.374  allw: 0.565
        <3: 0.645  <3w: 0.675

 F-measure:(Recall,Precision)  0.5
 F-measure:(Recall,PrecisionW) 0.646

 F-measure:(0,PrecisionIdeal)  0.784
 F-measure:(0,PrecisionIdealW) 0.806

Model 9
 Recall: 0.759
 Precision: 
       all: 0.368  allw: 0.543
        <3: 0.646  <3w: 0.66

 F-measure:(Recall,Precision)  0.495
 F-measure:(Recall,PrecisionW) 0.633

 F-measure:(0,PrecisionIdeal)  0.785
 F-measure:(0,PrecisionIdealW) 0.795

Model 10
 Recall: 0.758
 Precision: 
       all: 0.357  allw: 0.559
        <3: 0.648  <3w: 0.677

 F-measure:(Recall,Precision)  0.485
 F-measure:(Recall,PrecisionW) 0.643

 F-measure:(0,PrecisionIdeal)  0.786
 F-measure:(0,PrecisionIdealW) 0.807

Model 11
 Recall: 0.762
 Precision: 
       all: 0.362  allw: 0.54
        <3: 0.645  <3w: 0.671

 F-measure:(Recall,Precision)  0.491
 F-measure:(Recall,PrecisionW) 0.632

 F-measure:(0,PrecisionIdeal)  0.784
 F-measure:(0,PrecisionIdealW) 0.803

Model 12
 Recall: 0.75
 Precision: 
       all: 0.36  allw: 0.54
        <3: 0.649  <3w: 0.663

 F-measure:(Recall,Precision)  0.487
 F-measure:(Recall,PrecisionW) 0.628

 F-measure:(0,PrecisionIdeal)  0.787
 F-measure:(0,PrecisionIdealW) 0.797

Model 13
 Recall: 0.763
 Precision: 
       all: 0.362  allw: 0.556
        <3: 0.647  <3w: 0.677

 F-measure:(Recall,Precision)  0.491
 F-measure:(Recall,PrecisionW) 0.643

 F-measure:(0,PrecisionIdeal)  0.786
 F-measure:(0,PrecisionIdealW) 0.807

Model 14
 Recall: 0.749
 Precision: 
       all: 0.356  allw: 0.538
        <3: 0.646  <3w: 0.673

 F-measure:(Recall,Precision)  0.483
 F-measure:(Recall,PrecisionW) 0.626

 F-measure:(0,PrecisionIdeal)  0.785
 F-measure:(0,PrecisionIdealW) 0.805

Model 15
 Recall: 0.757
 Precision: 
       all: 0.357  allw: 0.524
        <3: 0.65  <3w: 0.669

 F-measure:(Recall,Precision)  0.485
 F-measure:(Recall,PrecisionW) 0.619

 F-measure:(0,PrecisionIdeal)  0.788
 F-measure:(0,PrecisionIdealW) 0.802

Model 16
 Recall: 0.747
 Precision: 
       all: 0.357  allw: 0.544
        <3: 0.649  <3w: 0.673

 F-measure:(Recall,Precision)  0.483
 F-measure:(Recall,PrecisionW) 0.629

 F-measure:(0,PrecisionIdeal)  0.787
 F-measure:(0,PrecisionIdealW) 0.804

Model 17
 Recall: 0.75
 Precision: 
       all: 0.366  allw: 0.569
        <3: 0.646  <3w: 0.67

 F-measure:(Recall,Precision)  0.492
 F-measure:(Recall,PrecisionW) 0.647

 F-measure:(0,PrecisionIdeal)  0.785
 F-measure:(0,PrecisionIdealW) 0.802

Model 18
 Recall: 0.756
 Precision: 
       all: 0.365  allw: 0.554
        <3: 0.645  <3w: 0.667

 F-measure:(Recall,Precision)  0.493
 F-measure:(Recall,PrecisionW) 0.64

 F-measure:(0,PrecisionIdeal)  0.784
 F-measure:(0,PrecisionIdealW) 0.801

Model 19
 Recall: 0.756
 Precision: 
       all: 0.37  allw: 0.547
        <3: 0.648  <3w: 0.661

 F-measure:(Recall,Precision)  0.497
 F-measure:(Recall,PrecisionW) 0.635

 F-measure:(0,PrecisionIdeal)  0.786
 F-measure:(0,PrecisionIdealW) 0.796

Model 20
 Recall: 0.764
 Precision: 
       all: 0.363  allw: 0.545
        <3: 0.647  <3w: 0.678

 F-measure:(Recall,Precision)  0.493
 F-measure:(Recall,PrecisionW) 0.636

 F-measure:(0,PrecisionIdeal)  0.786
 F-measure:(0,PrecisionIdealW) 0.808

For freely-rotating-chain model:
Model ave Inconsistent score: 0.501(550/1098) 
Model ave  Missing interactions: 0.555 (592/1066)
              weighted: 0.454 (3.53e+05/7.78e+05)
                    <3: 0.356 (113/317)
                   <3w: 0.422 (2.31e+05/5.48e+05)

 Recall: 0.499
 Precision: 
       all: 0.445  allw: 0.546

 F-measure:(RecallFree,PrecisionFree)  0.47
 F-measure:(ReallFree,PrecisionFreeW) 0.521


 Final M-score 0.409 210/514

Model ave

 Final Recall-score for input query structures: 0.718
 Final Precision-score for input query structures: 0.658

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.669

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.687
 F-score of ideal true structures:       0.802
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.561

Model 1

 Final Recall-score for input query structures: 0.739
 Final Precision-score for input query structures: 0.622

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.685

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.676
 F-score of ideal true structures:       0.813
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.498

Model 2

 Final Recall-score for input query structures: 0.744
 Final Precision-score for input query structures: 0.619

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.683

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.676
 F-score of ideal true structures:       0.811
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.502

Model 3

 Final Recall-score for input query structures: 0.748
 Final Precision-score for input query structures: 0.63

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.678

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.684
 F-score of ideal true structures:       0.808
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.537

Model 4

 Final Recall-score for input query structures: 0.754
 Final Precision-score for input query structures: 0.617

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.686

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.679
 F-score of ideal true structures:       0.814
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.507

Model 5

 Final Recall-score for input query structures: 0.74
 Final Precision-score for input query structures: 0.616

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.688

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.673
 F-score of ideal true structures:       0.815
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.484

Model 6

 Final Recall-score for input query structures: 0.743
 Final Precision-score for input query structures: 0.62

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.684

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.676
 F-score of ideal true structures:       0.812
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.5

Model 7

 Final Recall-score for input query structures: 0.746
 Final Precision-score for input query structures: 0.64

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.687

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.689
 F-score of ideal true structures:       0.815
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.542

Model 8

 Final Recall-score for input query structures: 0.739
 Final Precision-score for input query structures: 0.633

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.687

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.682
 F-score of ideal true structures:       0.815
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.516

Model 9

 Final Recall-score for input query structures: 0.748
 Final Precision-score for input query structures: 0.611

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.674

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.673
 F-score of ideal true structures:       0.805
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.502

Model 10

 Final Recall-score for input query structures: 0.742
 Final Precision-score for input query structures: 0.627

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.692

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.68
 F-score of ideal true structures:       0.818
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.504

Model 11

 Final Recall-score for input query structures: 0.744
 Final Precision-score for input query structures: 0.604

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.687

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.667
 F-score of ideal true structures:       0.814
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.464

Model 12

 Final Recall-score for input query structures: 0.736
 Final Precision-score for input query structures: 0.609

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.674

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.666
 F-score of ideal true structures:       0.805
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.475

Model 13

 Final Recall-score for input query structures: 0.745
 Final Precision-score for input query structures: 0.618

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.691

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.676
 F-score of ideal true structures:       0.817
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.491

Model 14

 Final Recall-score for input query structures: 0.735
 Final Precision-score for input query structures: 0.613

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.687

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.669
 F-score of ideal true structures:       0.814
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.471

Model 15

 Final Recall-score for input query structures: 0.742
 Final Precision-score for input query structures: 0.599

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.678

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.663
 F-score of ideal true structures:       0.808
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.459

Model 16

 Final Recall-score for input query structures: 0.742
 Final Precision-score for input query structures: 0.61

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.69

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.67
 F-score of ideal true structures:       0.817
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.469

Model 17

 Final Recall-score for input query structures: 0.731
 Final Precision-score for input query structures: 0.63

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.684

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.677
 F-score of ideal true structures:       0.812
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.504

Model 18

 Final Recall-score for input query structures: 0.737
 Final Precision-score for input query structures: 0.619

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.681

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.673
 F-score of ideal true structures:       0.81
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.493

Model 19

 Final Recall-score for input query structures: 0.738
 Final Precision-score for input query structures: 0.618

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.674

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.672
 F-score of ideal true structures:       0.805
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.498

Model 20

 Final Recall-score for input query structures: 0.747
 Final Precision-score for input query structures: 0.617

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.696

 Final Recall-score for freely-rotating-chain model: 0.49
 Final Precision-score for freely-rotating-chain model: 0.602

 Summary:
 F-score of input query structures:      0.676
 F-score of ideal true structures:       0.821
 F-score of freely-rotating-chain model: 0.54

 DP-Score: 0.484

Statistics: 
=========== 

NOESY_Assign:
      User CPU Time:       34.7 sec.
      Syst CPU Time:       0.36 sec.
Other Processes:
      User CPU Time:       0.46 sec.
      Syst CPU Time:       0.04 sec.

Total Elapsed Time:       35.6 sec.