# created by  ASDP Version 1.0 Copyright(C) 2010
# Wed Jun  5 14:37:57 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/XCR50_R3_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q XCR50_R3_em_bcr3.pdb.iupac 


# Summary for n.peaks
Total simulated peaks: 112 Number of peaks NOT matched in the Peak List: 14
M score = 0.12

Average shift in HX: 0.0018 Average ab-shift in HX: 0.0034(Assignment used: 67)
Average shift in X: -0.00068 Average ab-shift in X: 0.023(Assignment used: 66)
Average shift in HX2: -0.0029 Average ab-shift in HX2: 0.0061(Assignment used: 96)

#For peaklist n.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0592(60/1013) 
Model   1 Inconsistent score: 0.0602(61/1013) 
Model   2 Inconsistent score: 0.0642(65/1013) 
Model   3 Inconsistent score: 0.0642(65/1013) 
Model   4 Inconsistent score: 0.0533(54/1013) 
Model   5 Inconsistent score: 0.0543(55/1013) 
Model   6 Inconsistent score: 0.0543(55/1013) 
Model   7 Inconsistent score: 0.0474(48/1013) 
Model   8 Inconsistent score: 0.0563(57/1013) 
Model   9 Inconsistent score: 0.0523(53/1013) 
Model  10 Inconsistent score: 0.0543(55/1013) 
Model  11 Inconsistent score: 0.0543(55/1013) 
Model  12 Inconsistent score: 0.0582(59/1013) 
Model  13 Inconsistent score: 0.0622(63/1013) 
Model  14 Inconsistent score: 0.0494(50/1013) 
Model  15 Inconsistent score: 0.0573(58/1013) 
Model  16 Inconsistent score: 0.0543(55/1013) 
Model  17 Inconsistent score: 0.0533(54/1013) 
Model  18 Inconsistent score: 0.0592(60/1013) 
Model  19 Inconsistent score: 0.0543(55/1013) 
Model  20 Inconsistent score: 0.0474(48/1013) 
Model ave  Missing interactions: 0.266 (276/1039)
              weighted: 0.0417 (1.1e+05/2.64e+06)
                    <3: 0.0714 (8/112)
                   <3w: 0.0474 (2.2e+04/4.64e+05)
Model   1  Missing interactions: 0.326 (376/1152)
              weighted: 0.0766 (2.4e+05/3.13e+06)
                    <3: 0.0672 (8/119)
                   <3w: 0.0488 (2.39e+04/4.89e+05)
Model   2  Missing interactions: 0.307 (344/1119)
              weighted: 0.084 (2.68e+05/3.19e+06)
                    <3: 0.075 (9/120)
                   <3w: 0.0489 (2.44e+04/4.99e+05)
Model   3  Missing interactions: 0.326 (376/1153)
              weighted: 0.0576 (1.8e+05/3.12e+06)
                    <3: 0.0672 (8/119)
                   <3w: 0.0429 (2.13e+04/4.95e+05)
Model   4  Missing interactions: 0.321 (375/1167)
              weighted: 0.0776 (2.44e+05/3.14e+06)
                    <3: 0.0672 (8/119)
                   <3w: 0.0552 (2.58e+04/4.67e+05)
Model   5  Missing interactions: 0.31 (352/1134)
              weighted: 0.0665 (2.04e+05/3.07e+06)
                    <3: 0.0744 (9/121)
                   <3w: 0.0505 (2.42e+04/4.79e+05)
Model   6  Missing interactions: 0.316 (358/1134)
              weighted: 0.0567 (1.81e+05/3.2e+06)
                    <3: 0.0672 (8/119)
                   <3w: 0.0508 (2.56e+04/5.05e+05)
Model   7  Missing interactions: 0.314 (366/1164)
              weighted: 0.0791 (2.46e+05/3.11e+06)
                    <3: 0.0667 (8/120)
                   <3w: 0.0487 (2.3e+04/4.71e+05)
Model   8  Missing interactions: 0.316 (367/1161)
              weighted: 0.0713 (2.24e+05/3.14e+06)
                    <3: 0.0678 (8/118)
                   <3w: 0.0486 (2.48e+04/5.1e+05)
Model   9  Missing interactions: 0.311 (355/1142)
              weighted: 0.0677 (2.1e+05/3.1e+06)
                    <3: 0.0684 (8/117)
                   <3w: 0.0444 (2.09e+04/4.71e+05)
Model  10  Missing interactions: 0.325 (380/1168)
              weighted: 0.0717 (2.24e+05/3.13e+06)
                    <3: 0.0678 (8/118)
                   <3w: 0.0437 (2.12e+04/4.86e+05)
Model  11  Missing interactions: 0.311 (354/1138)
              weighted: 0.0608 (1.91e+05/3.15e+06)
                    <3: 0.0667 (8/120)
                   <3w: 0.0472 (2.17e+04/4.59e+05)
Model  12  Missing interactions: 0.307 (350/1139)
              weighted: 0.0574 (1.81e+05/3.16e+06)
                    <3: 0.0667 (8/120)
                   <3w: 0.0484 (2.55e+04/5.28e+05)
Model  13  Missing interactions: 0.315 (362/1149)
              weighted: 0.0611 (1.92e+05/3.14e+06)
                    <3: 0.0667 (8/120)
                   <3w: 0.059 (2.88e+04/4.87e+05)
Model  14  Missing interactions: 0.323 (375/1160)
              weighted: 0.0703 (2.23e+05/3.17e+06)
                    <3: 0.0769 (9/117)
                   <3w: 0.0479 (2.45e+04/5.11e+05)
Model  15  Missing interactions: 0.321 (368/1146)
              weighted: 0.0689 (2.22e+05/3.22e+06)
                    <3: 0.0672 (8/119)
                   <3w: 0.0549 (2.69e+04/4.91e+05)
Model  16  Missing interactions: 0.315 (360/1143)
              weighted: 0.0649 (2.07e+05/3.19e+06)
                    <3: 0.0684 (8/117)
                   <3w: 0.0459 (2.29e+04/4.98e+05)
Model  17  Missing interactions: 0.321 (373/1163)
              weighted: 0.0709 (2.22e+05/3.13e+06)
                    <3: 0.0678 (8/118)
                   <3w: 0.0423 (2.06e+04/4.86e+05)
Model  18  Missing interactions: 0.312 (356/1142)
              weighted: 0.075 (2.29e+05/3.06e+06)
                    <3: 0.0672 (8/119)
                   <3w: 0.0516 (2.42e+04/4.68e+05)
Model  19  Missing interactions: 0.315 (359/1141)
              weighted: 0.082 (2.52e+05/3.07e+06)
                    <3: 0.069 (8/116)
                   <3w: 0.0434 (2.05e+04/4.73e+05)
Model  20  Missing interactions: 0.32 (372/1163)
              weighted: 0.0735 (2.31e+05/3.14e+06)
                    <3: 0.0661 (8/121)
                   <3w: 0.0462 (2.19e+04/4.74e+05)

Model ave
 Recall: 0.941
 Precision: 
       all: 0.734  allw: 0.958
        <3: 0.929  <3w: 0.953

 F-measure:(Recall,Precision)  0.825
 F-measure:(Recall,PrecisionW) 0.949

 F-measure:(0,PrecisionIdeal)  0.963
 F-measure:(0,PrecisionIdealW) 0.976

Model 1
 Recall: 0.94
 Precision: 
       all: 0.674  allw: 0.923
        <3: 0.933  <3w: 0.951

 F-measure:(Recall,Precision)  0.785
 F-measure:(Recall,PrecisionW) 0.932

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.975

Model 2
 Recall: 0.936
 Precision: 
       all: 0.693  allw: 0.916
        <3: 0.925  <3w: 0.951

 F-measure:(Recall,Precision)  0.796
 F-measure:(Recall,PrecisionW) 0.926

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.975

Model 3
 Recall: 0.936
 Precision: 
       all: 0.674  allw: 0.942
        <3: 0.933  <3w: 0.957

 F-measure:(Recall,Precision)  0.784
 F-measure:(Recall,PrecisionW) 0.939

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.978

Model 4
 Recall: 0.947
 Precision: 
       all: 0.679  allw: 0.922
        <3: 0.933  <3w: 0.945

 F-measure:(Recall,Precision)  0.791
 F-measure:(Recall,PrecisionW) 0.934

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.972

Model 5
 Recall: 0.946
 Precision: 
       all: 0.69  allw: 0.933
        <3: 0.926  <3w: 0.95

 F-measure:(Recall,Precision)  0.798
 F-measure:(Recall,PrecisionW) 0.94

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.974

Model 6
 Recall: 0.946
 Precision: 
       all: 0.684  allw: 0.943
        <3: 0.933  <3w: 0.949

 F-measure:(Recall,Precision)  0.794
 F-measure:(Recall,PrecisionW) 0.945

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.974

Model 7
 Recall: 0.953
 Precision: 
       all: 0.686  allw: 0.921
        <3: 0.933  <3w: 0.951

 F-measure:(Recall,Precision)  0.797
 F-measure:(Recall,PrecisionW) 0.936

 F-measure:(0,PrecisionIdeal)  0.966
 F-measure:(0,PrecisionIdealW) 0.975

Model 8
 Recall: 0.944
 Precision: 
       all: 0.684  allw: 0.929
        <3: 0.932  <3w: 0.951

 F-measure:(Recall,Precision)  0.793
 F-measure:(Recall,PrecisionW) 0.936

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.975

Model 9
 Recall: 0.948
 Precision: 
       all: 0.689  allw: 0.932
        <3: 0.932  <3w: 0.956

 F-measure:(Recall,Precision)  0.798
 F-measure:(Recall,PrecisionW) 0.94

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.977

Model 10
 Recall: 0.946
 Precision: 
       all: 0.675  allw: 0.928
        <3: 0.932  <3w: 0.956

 F-measure:(Recall,Precision)  0.788
 F-measure:(Recall,PrecisionW) 0.937

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.978

Model 11
 Recall: 0.946
 Precision: 
       all: 0.689  allw: 0.939
        <3: 0.933  <3w: 0.953

 F-measure:(Recall,Precision)  0.797
 F-measure:(Recall,PrecisionW) 0.942

 F-measure:(0,PrecisionIdeal)  0.966
 F-measure:(0,PrecisionIdealW) 0.976

Model 12
 Recall: 0.942
 Precision: 
       all: 0.693  allw: 0.943
        <3: 0.933  <3w: 0.952

 F-measure:(Recall,Precision)  0.798
 F-measure:(Recall,PrecisionW) 0.942

 F-measure:(0,PrecisionIdeal)  0.966
 F-measure:(0,PrecisionIdealW) 0.975

Model 13
 Recall: 0.938
 Precision: 
       all: 0.685  allw: 0.939
        <3: 0.933  <3w: 0.941

 F-measure:(Recall,Precision)  0.792
 F-measure:(Recall,PrecisionW) 0.938

 F-measure:(0,PrecisionIdeal)  0.966
 F-measure:(0,PrecisionIdealW) 0.97

Model 14
 Recall: 0.951
 Precision: 
       all: 0.677  allw: 0.93
        <3: 0.923  <3w: 0.952

 F-measure:(Recall,Precision)  0.791
 F-measure:(Recall,PrecisionW) 0.94

 F-measure:(0,PrecisionIdeal)  0.96
 F-measure:(0,PrecisionIdealW) 0.975

Model 15
 Recall: 0.943
 Precision: 
       all: 0.679  allw: 0.931
        <3: 0.933  <3w: 0.945

 F-measure:(Recall,Precision)  0.789
 F-measure:(Recall,PrecisionW) 0.937

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.972

Model 16
 Recall: 0.946
 Precision: 
       all: 0.685  allw: 0.935
        <3: 0.932  <3w: 0.954

 F-measure:(Recall,Precision)  0.795
 F-measure:(Recall,PrecisionW) 0.94

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.976

Model 17
 Recall: 0.947
 Precision: 
       all: 0.679  allw: 0.929
        <3: 0.932  <3w: 0.958

 F-measure:(Recall,Precision)  0.791
 F-measure:(Recall,PrecisionW) 0.938

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.978

Model 18
 Recall: 0.941
 Precision: 
       all: 0.688  allw: 0.925
        <3: 0.933  <3w: 0.948

 F-measure:(Recall,Precision)  0.795
 F-measure:(Recall,PrecisionW) 0.933

 F-measure:(0,PrecisionIdeal)  0.965
 F-measure:(0,PrecisionIdealW) 0.973

Model 19
 Recall: 0.946
 Precision: 
       all: 0.685  allw: 0.918
        <3: 0.931  <3w: 0.957

 F-measure:(Recall,Precision)  0.795
 F-measure:(Recall,PrecisionW) 0.932

 F-measure:(0,PrecisionIdeal)  0.964
 F-measure:(0,PrecisionIdealW) 0.978

Model 20
 Recall: 0.953
 Precision: 
       all: 0.68  allw: 0.926
        <3: 0.934  <3w: 0.954

 F-measure:(Recall,Precision)  0.794
 F-measure:(Recall,PrecisionW) 0.939

 F-measure:(0,PrecisionIdeal)  0.966
 F-measure:(0,PrecisionIdealW) 0.976

For freely-rotating-chain model:
Model ave Inconsistent score: 0.35(355/1013) 
Model ave  Missing interactions: 0.169 (92/543)
              weighted: 0.0938 (2.86e+04/3.05e+05)
                    <3: 0.115 (13/113)
                   <3w: 0.0964 (1.55e+04/1.61e+05)

 Recall: 0.65
 Precision: 
       all: 0.831  allw: 0.906

 F-measure:(RecallFree,PrecisionFree)  0.729
 F-measure:(ReallFree,PrecisionFreeW) 0.757

# Summary for c.peaks
Total simulated peaks: 595 Number of peaks NOT matched in the Peak List: 21
M score = 0.035

Average shift in HX: 0.00044 Average ab-shift in HX: 0.003(Assignment used: 285)
Average shift in X: -0.0026 Average ab-shift in X: 0.026(Assignment used: 216)
Average shift in HX2: -0.00045 Average ab-shift in HX2: 0.0036(Assignment used: 353)

#For peaklist c.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0588(179/3046) 
Model   1 Inconsistent score: 0.044(134/3046) 
Model   2 Inconsistent score: 0.063(192/3046) 
Model   3 Inconsistent score: 0.0492(150/3046) 
Model   4 Inconsistent score: 0.0496(151/3046) 
Model   5 Inconsistent score: 0.0443(135/3046) 
Model   6 Inconsistent score: 0.0394(120/3046) 
Model   7 Inconsistent score: 0.0486(148/3046) 
Model   8 Inconsistent score: 0.0515(157/3046) 
Model   9 Inconsistent score: 0.041(125/3046) 
Model  10 Inconsistent score: 0.0538(164/3046) 
Model  11 Inconsistent score: 0.0443(135/3046) 
Model  12 Inconsistent score: 0.0634(193/3046) 
Model  13 Inconsistent score: 0.0614(187/3046) 
Model  14 Inconsistent score: 0.0489(149/3046) 
Model  15 Inconsistent score: 0.0489(149/3046) 
Model  16 Inconsistent score: 0.0414(126/3046) 
Model  17 Inconsistent score: 0.0469(143/3046) 
Model  18 Inconsistent score: 0.045(137/3046) 
Model  19 Inconsistent score: 0.0476(145/3046) 
Model  20 Inconsistent score: 0.046(140/3046) 
Model ave  Missing interactions: 0.427 (1.36e+03/3191)
              weighted: 0.0896 (7.93e+05/8.85e+06)
                    <3: 0.0517 (23/445)
                   <3w: 0.0144 (7.35e+04/5.12e+06)
Model   1  Missing interactions: 0.487 (1.86e+03/3824)
              weighted: 0.15 (1.73e+06/1.15e+07)
                    <3: 0.0509 (23/452)
                   <3w: 0.0164 (8.56e+04/5.23e+06)
Model   2  Missing interactions: 0.491 (1.82e+03/3711)
              weighted: 0.172 (2.04e+06/1.18e+07)
                    <3: 0.0508 (23/453)
                   <3w: 0.0171 (9.03e+04/5.29e+06)
Model   3  Missing interactions: 0.473 (1.77e+03/3739)
              weighted: 0.131 (1.51e+06/1.16e+07)
                    <3: 0.0509 (23/452)
                   <3w: 0.0161 (8.44e+04/5.26e+06)
Model   4  Missing interactions: 0.489 (1.87e+03/3822)
              weighted: 0.156 (1.84e+06/1.18e+07)
                    <3: 0.0509 (23/452)
                   <3w: 0.0172 (8.97e+04/5.22e+06)
Model   5  Missing interactions: 0.473 (1.74e+03/3684)
              weighted: 0.134 (1.56e+06/1.16e+07)
                    <3: 0.0507 (23/454)
                   <3w: 0.0164 (8.65e+04/5.28e+06)
Model   6  Missing interactions: 0.463 (1.69e+03/3648)
              weighted: 0.117 (1.32e+06/1.13e+07)
                    <3: 0.0509 (23/452)
                   <3w: 0.0168 (8.88e+04/5.27e+06)
Model   7  Missing interactions: 0.472 (1.73e+03/3662)
              weighted: 0.144 (1.63e+06/1.14e+07)
                    <3: 0.0508 (23/453)
                   <3w: 0.0166 (8.69e+04/5.22e+06)
Model   8  Missing interactions: 0.482 (1.76e+03/3665)
              weighted: 0.153 (1.74e+06/1.14e+07)
                    <3: 0.051 (23/451)
                   <3w: 0.0166 (8.78e+04/5.28e+06)
Model   9  Missing interactions: 0.472 (1.76e+03/3735)
              weighted: 0.132 (1.53e+06/1.15e+07)
                    <3: 0.0511 (23/450)
                   <3w: 0.0138 (7.22e+04/5.24e+06)
Model  10  Missing interactions: 0.475 (1.75e+03/3676)
              weighted: 0.139 (1.61e+06/1.16e+07)
                    <3: 0.051 (23/451)
                   <3w: 0.0162 (8.49e+04/5.24e+06)
Model  11  Missing interactions: 0.469 (1.74e+03/3709)
              weighted: 0.14 (1.63e+06/1.16e+07)
                    <3: 0.0508 (23/453)
                   <3w: 0.0147 (7.66e+04/5.22e+06)
Model  12  Missing interactions: 0.474 (1.7e+03/3580)
              weighted: 0.15 (1.7e+06/1.14e+07)
                    <3: 0.0508 (23/453)
                   <3w: 0.0169 (8.91e+04/5.26e+06)
Model  13  Missing interactions: 0.484 (1.8e+03/3726)
              weighted: 0.161 (1.84e+06/1.14e+07)
                    <3: 0.0508 (23/453)
                   <3w: 0.0174 (9.09e+04/5.24e+06)
Model  14  Missing interactions: 0.47 (1.73e+03/3680)
              weighted: 0.129 (1.47e+06/1.14e+07)
                    <3: 0.0533 (24/450)
                   <3w: 0.0167 (8.85e+04/5.31e+06)
Model  15  Missing interactions: 0.462 (1.66e+03/3585)
              weighted: 0.126 (1.41e+06/1.12e+07)
                    <3: 0.0509 (23/452)
                   <3w: 0.0169 (8.94e+04/5.28e+06)
Model  16  Missing interactions: 0.47 (1.74e+03/3701)
              weighted: 0.135 (1.58e+06/1.16e+07)
                    <3: 0.0511 (23/450)
                   <3w: 0.0128 (6.73e+04/5.25e+06)
Model  17  Missing interactions: 0.479 (1.81e+03/3769)
              weighted: 0.143 (1.67e+06/1.17e+07)
                    <3: 0.051 (23/451)
                   <3w: 0.0166 (8.75e+04/5.26e+06)
Model  18  Missing interactions: 0.477 (1.79e+03/3751)
              weighted: 0.139 (1.63e+06/1.17e+07)
                    <3: 0.0509 (23/452)
                   <3w: 0.0131 (6.86e+04/5.25e+06)
Model  19  Missing interactions: 0.481 (1.8e+03/3728)
              weighted: 0.144 (1.7e+06/1.18e+07)
                    <3: 0.0512 (23/449)
                   <3w: 0.0137 (7.16e+04/5.22e+06)
Model  20  Missing interactions: 0.483 (1.82e+03/3769)
              weighted: 0.146 (1.72e+06/1.17e+07)
                    <3: 0.0507 (23/454)
                   <3w: 0.0136 (7.07e+04/5.2e+06)

Model ave
 Recall: 0.941
 Precision: 
       all: 0.573  allw: 0.91
        <3: 0.948  <3w: 0.986

 F-measure:(Recall,Precision)  0.713
 F-measure:(Recall,PrecisionW) 0.926

 F-measure:(0,PrecisionIdeal)  0.973
 F-measure:(0,PrecisionIdealW) 0.993

Model 1
 Recall: 0.956
 Precision: 
       all: 0.513  allw: 0.85
        <3: 0.949  <3w: 0.984

 F-measure:(Recall,Precision)  0.668
 F-measure:(Recall,PrecisionW) 0.9

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.992

Model 2
 Recall: 0.937
 Precision: 
       all: 0.509  allw: 0.828
        <3: 0.949  <3w: 0.983

 F-measure:(Recall,Precision)  0.659
 F-measure:(Recall,PrecisionW) 0.879

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.991

Model 3
 Recall: 0.951
 Precision: 
       all: 0.527  allw: 0.869
        <3: 0.949  <3w: 0.984

 F-measure:(Recall,Precision)  0.678
 F-measure:(Recall,PrecisionW) 0.908

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.992

Model 4
 Recall: 0.95
 Precision: 
       all: 0.511  allw: 0.844
        <3: 0.949  <3w: 0.983

 F-measure:(Recall,Precision)  0.665
 F-measure:(Recall,PrecisionW) 0.894

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.991

Model 5
 Recall: 0.956
 Precision: 
       all: 0.527  allw: 0.866
        <3: 0.949  <3w: 0.984

 F-measure:(Recall,Precision)  0.68
 F-measure:(Recall,PrecisionW) 0.909

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.992

Model 6
 Recall: 0.961
 Precision: 
       all: 0.537  allw: 0.883
        <3: 0.949  <3w: 0.983

 F-measure:(Recall,Precision)  0.689
 F-measure:(Recall,PrecisionW) 0.92

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.992

Model 7
 Recall: 0.951
 Precision: 
       all: 0.528  allw: 0.856
        <3: 0.949  <3w: 0.983

 F-measure:(Recall,Precision)  0.679
 F-measure:(Recall,PrecisionW) 0.901

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.992

Model 8
 Recall: 0.948
 Precision: 
       all: 0.518  allw: 0.847
        <3: 0.949  <3w: 0.983

 F-measure:(Recall,Precision)  0.67
 F-measure:(Recall,PrecisionW) 0.895

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.992

Model 9
 Recall: 0.959
 Precision: 
       all: 0.528  allw: 0.868
        <3: 0.949  <3w: 0.986

 F-measure:(Recall,Precision)  0.681
 F-measure:(Recall,PrecisionW) 0.911

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.993

Model 10
 Recall: 0.946
 Precision: 
       all: 0.525  allw: 0.861
        <3: 0.949  <3w: 0.984

 F-measure:(Recall,Precision)  0.675
 F-measure:(Recall,PrecisionW) 0.902

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.992

Model 11
 Recall: 0.956
 Precision: 
       all: 0.531  allw: 0.86
        <3: 0.949  <3w: 0.985

 F-measure:(Recall,Precision)  0.682
 F-measure:(Recall,PrecisionW) 0.905

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.993

Model 12
 Recall: 0.937
 Precision: 
       all: 0.526  allw: 0.85
        <3: 0.949  <3w: 0.983

 F-measure:(Recall,Precision)  0.674
 F-measure:(Recall,PrecisionW) 0.891

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.991

Model 13
 Recall: 0.939
 Precision: 
       all: 0.516  allw: 0.839
        <3: 0.949  <3w: 0.983

 F-measure:(Recall,Precision)  0.666
 F-measure:(Recall,PrecisionW) 0.886

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.991

Model 14
 Recall: 0.951
 Precision: 
       all: 0.53  allw: 0.871
        <3: 0.947  <3w: 0.983

 F-measure:(Recall,Precision)  0.681
 F-measure:(Recall,PrecisionW) 0.909

 F-measure:(0,PrecisionIdeal)  0.973
 F-measure:(0,PrecisionIdealW) 0.992

Model 15
 Recall: 0.951
 Precision: 
       all: 0.538  allw: 0.874
        <3: 0.949  <3w: 0.983

 F-measure:(Recall,Precision)  0.687
 F-measure:(Recall,PrecisionW) 0.911

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.991

Model 16
 Recall: 0.959
 Precision: 
       all: 0.53  allw: 0.865
        <3: 0.949  <3w: 0.987

 F-measure:(Recall,Precision)  0.682
 F-measure:(Recall,PrecisionW) 0.909

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.994

Model 17
 Recall: 0.953
 Precision: 
       all: 0.521  allw: 0.857
        <3: 0.949  <3w: 0.983

 F-measure:(Recall,Precision)  0.674
 F-measure:(Recall,PrecisionW) 0.902

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.992

Model 18
 Recall: 0.955
 Precision: 
       all: 0.523  allw: 0.861
        <3: 0.949  <3w: 0.987

 F-measure:(Recall,Precision)  0.676
 F-measure:(Recall,PrecisionW) 0.905

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.993

Model 19
 Recall: 0.952
 Precision: 
       all: 0.519  allw: 0.856
        <3: 0.949  <3w: 0.986

 F-measure:(Recall,Precision)  0.671
 F-measure:(Recall,PrecisionW) 0.901

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.993

Model 20
 Recall: 0.954
 Precision: 
       all: 0.517  allw: 0.854
        <3: 0.949  <3w: 0.986

 F-measure:(Recall,Precision)  0.671
 F-measure:(Recall,PrecisionW) 0.901

 F-measure:(0,PrecisionIdeal)  0.974
 F-measure:(0,PrecisionIdealW) 0.993

For freely-rotating-chain model:
Model ave Inconsistent score: 0.396(1205/3046) 
Model ave  Missing interactions: 0.31 (419/1350)
              weighted: 0.1 (1.11e+05/1.11e+06)
                    <3: 0.0826 (38/460)
                   <3w: 0.0524 (4.63e+04/8.84e+05)

 Recall: 0.604
 Precision: 
       all: 0.69  allw: 0.9

 F-measure:(RecallFree,PrecisionFree)  0.644
 F-measure:(ReallFree,PrecisionFreeW) 0.723


 Final M-score 0.0495 35/707

Model ave

 Final Recall-score for input query structures: 0.941
 Final Precision-score for input query structures: 0.921

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.983

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.931
 F-score of ideal true structures:       0.991
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.768

Model 1

 Final Recall-score for input query structures: 0.952
 Final Precision-score for input query structures: 0.866

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.981

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.907
 F-score of ideal true structures:       0.99
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.678

Model 2

 Final Recall-score for input query structures: 0.937
 Final Precision-score for input query structures: 0.847

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.98

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.889
 F-score of ideal true structures:       0.99
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.609

Model 3

 Final Recall-score for input query structures: 0.947
 Final Precision-score for input query structures: 0.885

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.982

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.915
 F-score of ideal true structures:       0.991
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.707

Model 4

 Final Recall-score for input query structures: 0.949
 Final Precision-score for input query structures: 0.86

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.98

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.903
 F-score of ideal true structures:       0.99
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.663

Model 5

 Final Recall-score for input query structures: 0.953
 Final Precision-score for input query structures: 0.88

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.981

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.915
 F-score of ideal true structures:       0.99
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.709

Model 6

 Final Recall-score for input query structures: 0.957
 Final Precision-score for input query structures: 0.896

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.98

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.925
 F-score of ideal true structures:       0.99
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.748

Model 7

 Final Recall-score for input query structures: 0.952
 Final Precision-score for input query structures: 0.87

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.981

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.909
 F-score of ideal true structures:       0.99
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.686

Model 8

 Final Recall-score for input query structures: 0.947
 Final Precision-score for input query structures: 0.865

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.981

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.904
 F-score of ideal true structures:       0.99
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.667

Model 9

 Final Recall-score for input query structures: 0.956
 Final Precision-score for input query structures: 0.881

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.984

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.917
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.712

Model 10

 Final Recall-score for input query structures: 0.946
 Final Precision-score for input query structures: 0.876

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.981

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.909
 F-score of ideal true structures:       0.991
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.683

Model 11

 Final Recall-score for input query structures: 0.953
 Final Precision-score for input query structures: 0.877

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.983

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.913
 F-score of ideal true structures:       0.991
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.699

Model 12

 Final Recall-score for input query structures: 0.938
 Final Precision-score for input query structures: 0.87

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.98

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.903
 F-score of ideal true structures:       0.99
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.663

Model 13

 Final Recall-score for input query structures: 0.938
 Final Precision-score for input query structures: 0.86

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.979

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.898
 F-score of ideal true structures:       0.989
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.646

Model 14

 Final Recall-score for input query structures: 0.951
 Final Precision-score for input query structures: 0.884

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.981

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.916
 F-score of ideal true structures:       0.99
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.713

Model 15

 Final Recall-score for input query structures: 0.949
 Final Precision-score for input query structures: 0.887

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.98

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.917
 F-score of ideal true structures:       0.99
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.717

Model 16

 Final Recall-score for input query structures: 0.955
 Final Precision-score for input query structures: 0.88

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.984

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.916
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.708

Model 17

 Final Recall-score for input query structures: 0.951
 Final Precision-score for input query structures: 0.872

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.981

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.91
 F-score of ideal true structures:       0.991
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.687

Model 18

 Final Recall-score for input query structures: 0.951
 Final Precision-score for input query structures: 0.874

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.984

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.911
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.688

Model 19

 Final Recall-score for input query structures: 0.951
 Final Precision-score for input query structures: 0.869

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.984

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.908
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.677

Model 20

 Final Recall-score for input query structures: 0.954
 Final Precision-score for input query structures: 0.869

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.984

 Final Recall-score for freely-rotating-chain model: 0.616
 Final Precision-score for freely-rotating-chain model: 0.901

 Summary:
 F-score of input query structures:      0.909
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.732

 DP-Score: 0.681

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

NOESY_Assign:
      User CPU Time:       27.6 sec.
      Syst CPU Time:        0.5 sec.
Other Processes:
      User CPU Time:       0.39 sec.
      Syst CPU Time:       0.02 sec.

Total Elapsed Time:       28.5 sec. 
