# created by  AutoStructure/RPF Version 2.2.1 Copyright(C) 2007
# Mon Sep 13 14:21:59 2010


# Command: /farm/software/AutoStructure/AutoStructure-2.2.1/bin/noesyassign 
#		-c control_file15 
#		-o /farm/data/gliu/projects/HR4495E/autos/calc15 
#		-q input15/hr44_cnsiup.pdb 

NALIB Path is /farm/software/AutoStructure/AutoStructure-2.2.1/lib
Using: 0.001835 for calibration

INPUT
=====

proteinName: hr44
nCycles: 5
seqFile: input15/seq.bmrb
chemicalShiftFile: input15/hr44.bmrb
par table: Default
PeakList: 
File: input15/nnoeabs.peaks
  Dimension: 3  iperc: 0.0125  waterFlag: 1 water suppresion range: 4.45-5.15
  col.intensity: 7  col.id: 1
  col.hx1: 4  hx1.tol: 0.03  hx1.sw: 1000.00  hx1.shift: 0.00  hx1.type: H
  hx1.sign: 0
  col.hx2: 3  hx2.tol: 0.04  hx2.sw: 1000.00  hx2.shift: 0.00  hx2.type: H
  hx2.sign: 0
  col.x1: 2   x1.tol: 0.6    x1.sw: 1000.00   x1.shift: 0.00   x1.type: N15
  x1.sign: 0
  read as 3DN15noesy 
File: input15/cnoeabsall.peaks
  Dimension: 3  iperc: 0.0125  waterFlag: 1 water suppresion range: 4.45-5.15
  col.intensity: 7  col.id: 1
  col.hx1: 4  hx1.tol: 0.03  hx1.sw: 1000.00  hx1.shift: 0.00  hx1.type: H
  hx1.sign: 0
  col.hx2: 3  hx2.tol: 0.04  hx2.sw: 1000.00  hx2.shift: 0.00  hx2.type: H
  hx2.sign: 0
  col.x1: 2   x1.tol: 0.6    x1.sw: 1000.00   x1.shift: 0.00   x1.type: C13
  x1.sign: 0
  read as 3DC13noesy 

# Summary for nnoeabs.peaks
Total simulated peaks: 146 Number of peaks NOT matched in the Peak List: 0
M score = 0

Average shift in HX: 0 Average ab-shift in HX: 0(Assignment used: 134)
Average shift in X: 0.00048 Average ab-shift in X: 0.00048(Assignment used: 125)
Average shift in HX2: 5.6e-05 Average ab-shift in HX2: 0.00028(Assignment used: 144)

#For peaklist nnoeabs.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0185(37/2000) 
Model   1 Inconsistent score: 0.023(46/2000) 
Model   2 Inconsistent score: 0.026(52/2000) 
Model   3 Inconsistent score: 0.024(48/2000) 
Model   4 Inconsistent score: 0.0215(43/2000) 
Model   5 Inconsistent score: 0.022(44/2000) 
Model   6 Inconsistent score: 0.0255(51/2000) 
Model   7 Inconsistent score: 0.024(48/2000) 
Model   8 Inconsistent score: 0.027(54/2000) 
Model   9 Inconsistent score: 0.0185(37/2000) 
Model  10 Inconsistent score: 0.0205(41/2000) 
Model  11 Inconsistent score: 0.0275(55/2000) 
Model  12 Inconsistent score: 0.022(44/2000) 
Model  13 Inconsistent score: 0.021(42/2000) 
Model  14 Inconsistent score: 0.0215(43/2000) 
Model  15 Inconsistent score: 0.025(50/2000) 
Model  16 Inconsistent score: 0.0255(51/2000) 
Model  17 Inconsistent score: 0.02(40/2000) 
Model  18 Inconsistent score: 0.0265(53/2000) 
Model  19 Inconsistent score: 0.024(48/2000) 
Model  20 Inconsistent score: 0.0245(49/2000) 
Model ave  Missing interactions: 0.211 (405/1915)
              weighted: 0.0199 (5.71e+04/2.87e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.16e-05 (67.2/8.23e+05)
Model   1  Missing interactions: 0.228 (450/1978)
              weighted: 0.033 (1.08e+05/3.27e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.2e-05 (67.2/8.19e+05)
Model   2  Missing interactions: 0.227 (441/1943)
              weighted: 0.0261 (8.51e+04/3.26e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.11e-05 (67.2/8.28e+05)
Model   3  Missing interactions: 0.225 (441/1960)
              weighted: 0.0269 (8.51e+04/3.17e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.08e-05 (66.4/8.21e+05)
Model   4  Missing interactions: 0.233 (459/1971)
              weighted: 0.0338 (1.08e+05/3.2e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.24e-05 (67.2/8.15e+05)
Model   5  Missing interactions: 0.232 (460/1984)
              weighted: 0.039 (1.28e+05/3.27e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.16e-05 (68/8.33e+05)
Model   6  Missing interactions: 0.229 (450/1961)
              weighted: 0.0263 (8.69e+04/3.3e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.21e-05 (67.2/8.18e+05)
Model   7  Missing interactions: 0.229 (446/1951)
              weighted: 0.0342 (1.11e+05/3.24e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.24e-05 (67.2/8.15e+05)
Model   8  Missing interactions: 0.229 (450/1964)
              weighted: 0.0239 (7.87e+04/3.29e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.03e-05 (67.2/8.36e+05)
Model   9  Missing interactions: 0.236 (468/1986)
              weighted: 0.0409 (1.35e+05/3.29e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.26e-05 (67.2/8.13e+05)
Model  10  Missing interactions: 0.225 (438/1948)
              weighted: 0.0277 (8.68e+04/3.14e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.21e-05 (67.2/8.18e+05)
Model  11  Missing interactions: 0.232 (458/1971)
              weighted: 0.0382 (1.25e+05/3.27e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.28e-05 (67.2/8.11e+05)
Model  12  Missing interactions: 0.217 (420/1939)
              weighted: 0.027 (8.67e+04/3.21e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.23e-05 (67.2/8.16e+05)
Model  13  Missing interactions: 0.229 (450/1962)
              weighted: 0.0333 (1.07e+05/3.22e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.21e-05 (67.2/8.18e+05)
Model  14  Missing interactions: 0.23 (452/1966)
              weighted: 0.041 (1.29e+05/3.15e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.15e-05 (66.4/8.14e+05)
Model  15  Missing interactions: 0.228 (447/1963)
              weighted: 0.0244 (7.88e+04/3.23e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.16e-05 (67.2/8.24e+05)
Model  16  Missing interactions: 0.234 (464/1980)
              weighted: 0.0342 (1.09e+05/3.18e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.19e-05 (67.2/8.2e+05)
Model  17  Missing interactions: 0.225 (444/1969)
              weighted: 0.0246 (7.85e+04/3.2e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.29e-05 (68/8.2e+05)
Model  18  Missing interactions: 0.222 (434/1958)
              weighted: 0.0326 (1.03e+05/3.17e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.06e-05 (66.4/8.23e+05)
Model  19  Missing interactions: 0.223 (435/1951)
              weighted: 0.0385 (1.24e+05/3.22e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.11e-05 (66.4/8.18e+05)
Model  20  Missing interactions: 0.237 (473/1994)
              weighted: 0.0324 (1.07e+05/3.28e+06)
                    <3: 0.00725 (1/138)
                   <3w: 8.23e-05 (67.2/8.17e+05)

Model ave
 Recall: 0.981
 Precision: 
       all: 0.789  allw: 0.98
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.874
 F-measure:(Recall,PrecisionW) 0.981

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 1
 Recall: 0.977
 Precision: 
       all: 0.772  allw: 0.967
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.863
 F-measure:(Recall,PrecisionW) 0.972

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 2
 Recall: 0.974
 Precision: 
       all: 0.773  allw: 0.974
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.862
 F-measure:(Recall,PrecisionW) 0.974

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 3
 Recall: 0.976
 Precision: 
       all: 0.775  allw: 0.973
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.864
 F-measure:(Recall,PrecisionW) 0.975

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 4
 Recall: 0.978
 Precision: 
       all: 0.767  allw: 0.966
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.86
 F-measure:(Recall,PrecisionW) 0.972

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 5
 Recall: 0.978
 Precision: 
       all: 0.768  allw: 0.961
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.86
 F-measure:(Recall,PrecisionW) 0.969

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 6
 Recall: 0.975
 Precision: 
       all: 0.771  allw: 0.974
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.861
 F-measure:(Recall,PrecisionW) 0.974

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 7
 Recall: 0.976
 Precision: 
       all: 0.771  allw: 0.966
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.862
 F-measure:(Recall,PrecisionW) 0.971

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 8
 Recall: 0.973
 Precision: 
       all: 0.771  allw: 0.976
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.86
 F-measure:(Recall,PrecisionW) 0.975

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 9
 Recall: 0.981
 Precision: 
       all: 0.764  allw: 0.959
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.859
 F-measure:(Recall,PrecisionW) 0.97

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 10
 Recall: 0.979
 Precision: 
       all: 0.775  allw: 0.972
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.865
 F-measure:(Recall,PrecisionW) 0.976

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 11
 Recall: 0.973
 Precision: 
       all: 0.768  allw: 0.962
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.858
 F-measure:(Recall,PrecisionW) 0.967

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 12
 Recall: 0.978
 Precision: 
       all: 0.783  allw: 0.973
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.87
 F-measure:(Recall,PrecisionW) 0.976

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 13
 Recall: 0.979
 Precision: 
       all: 0.771  allw: 0.967
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.862
 F-measure:(Recall,PrecisionW) 0.973

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 14
 Recall: 0.978
 Precision: 
       all: 0.77  allw: 0.959
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.862
 F-measure:(Recall,PrecisionW) 0.969

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 15
 Recall: 0.975
 Precision: 
       all: 0.772  allw: 0.976
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.862
 F-measure:(Recall,PrecisionW) 0.975

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 16
 Recall: 0.975
 Precision: 
       all: 0.766  allw: 0.966
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.858
 F-measure:(Recall,PrecisionW) 0.97

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 17
 Recall: 0.98
 Precision: 
       all: 0.775  allw: 0.975
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.865
 F-measure:(Recall,PrecisionW) 0.978

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 18
 Recall: 0.974
 Precision: 
       all: 0.778  allw: 0.967
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.865
 F-measure:(Recall,PrecisionW) 0.97

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 19
 Recall: 0.976
 Precision: 
       all: 0.777  allw: 0.961
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.865
 F-measure:(Recall,PrecisionW) 0.969

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 20
 Recall: 0.976
 Precision: 
       all: 0.763  allw: 0.968
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.856
 F-measure:(Recall,PrecisionW) 0.972

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

For freely-rotating-chain model:
Model ave Inconsistent score: 0.359(719/2000) 
Model ave  Missing interactions: 0.111 (105/945)
              weighted: 0.0429 (1.45e+04/3.38e+05)
                    <3: 0.0214 (3/140)
                   <3w: 0.0294 (5.88e+03/2e+05)

 Recall: 0.641
 Precision: 
       all: 0.889  allw: 0.957

 F-measure:(RecallFree,PrecisionFree)  0.745
 F-measure:(ReallFree,PrecisionFreeW) 0.767

# Summary for cnoeabsall.peaks
Total simulated peaks: 870 Number of peaks NOT matched in the Peak List: 2
M score = 0.0023

Average shift in HX: 4.2e-06 Average ab-shift in HX: 3.8e-05(Assignment used: 479)
Average shift in X: 0.00043 Average ab-shift in X: 0.0006(Assignment used: 368)
Average shift in HX2: -6.2e-05 Average ab-shift in HX2: 0.00013(Assignment used: 571)

#For peaklist cnoeabsall.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0072(45/6253) 
Model   1 Inconsistent score: 0.0107(67/6253) 
Model   2 Inconsistent score: 0.0101(63/6253) 
Model   3 Inconsistent score: 0.0115(72/6253) 
Model   4 Inconsistent score: 0.00976(61/6253) 
Model   5 Inconsistent score: 0.0117(73/6253) 
Model   6 Inconsistent score: 0.0109(68/6253) 
Model   7 Inconsistent score: 0.0104(65/6253) 
Model   8 Inconsistent score: 0.0122(76/6253) 
Model   9 Inconsistent score: 0.00928(58/6253) 
Model  10 Inconsistent score: 0.0109(68/6253) 
Model  11 Inconsistent score: 0.0118(74/6253) 
Model  12 Inconsistent score: 0.0096(60/6253) 
Model  13 Inconsistent score: 0.00992(62/6253) 
Model  14 Inconsistent score: 0.0088(55/6253) 
Model  15 Inconsistent score: 0.00976(61/6253) 
Model  16 Inconsistent score: 0.0102(64/6253) 
Model  17 Inconsistent score: 0.00912(57/6253) 
Model  18 Inconsistent score: 0.0107(67/6253) 
Model  19 Inconsistent score: 0.0109(68/6253) 
Model  20 Inconsistent score: 0.0101(63/6253) 
Model ave  Missing interactions: 0.296 (1.68e+03/5687)
              weighted: 0.0294 (3.3e+05/1.12e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.03e-05 (233/4.63e+06)
Model   1  Missing interactions: 0.312 (1.84e+03/5896)
              weighted: 0.0383 (4.92e+05/1.29e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.04e-05 (234/4.65e+06)
Model   2  Missing interactions: 0.306 (1.77e+03/5792)
              weighted: 0.0383 (4.8e+05/1.25e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.03e-05 (234/4.66e+06)
Model   3  Missing interactions: 0.305 (1.76e+03/5788)
              weighted: 0.0367 (4.6e+05/1.25e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5e-05 (231/4.63e+06)
Model   4  Missing interactions: 0.311 (1.82e+03/5839)
              weighted: 0.0382 (4.88e+05/1.28e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.07e-05 (234/4.62e+06)
Model   5  Missing interactions: 0.312 (1.82e+03/5840)
              weighted: 0.0418 (5.33e+05/1.28e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.06e-05 (235/4.65e+06)
Model   6  Missing interactions: 0.31 (1.81e+03/5845)
              weighted: 0.0398 (5e+05/1.26e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.05e-05 (234/4.64e+06)
Model   7  Missing interactions: 0.304 (1.76e+03/5795)
              weighted: 0.042 (5.3e+05/1.26e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.01e-05 (232/4.63e+06)
Model   8  Missing interactions: 0.308 (1.79e+03/5805)
              weighted: 0.0374 (4.68e+05/1.25e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.06e-05 (234/4.63e+06)
Model   9  Missing interactions: 0.313 (1.85e+03/5906)
              weighted: 0.045 (5.74e+05/1.28e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.02e-05 (232/4.62e+06)
Model  10  Missing interactions: 0.305 (1.77e+03/5806)
              weighted: 0.0371 (4.7e+05/1.27e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.05e-05 (234/4.64e+06)
Model  11  Missing interactions: 0.31 (1.82e+03/5849)
              weighted: 0.0482 (6.17e+05/1.28e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.06e-05 (234/4.63e+06)
Model  12  Missing interactions: 0.31 (1.8e+03/5809)
              weighted: 0.0373 (4.69e+05/1.26e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5e-05 (232/4.64e+06)
Model  13  Missing interactions: 0.307 (1.78e+03/5799)
              weighted: 0.0377 (4.77e+05/1.26e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.07e-05 (234/4.62e+06)
Model  14  Missing interactions: 0.31 (1.82e+03/5849)
              weighted: 0.0395 (4.94e+05/1.25e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.04e-05 (234/4.64e+06)
Model  15  Missing interactions: 0.308 (1.8e+03/5820)
              weighted: 0.0434 (5.62e+05/1.29e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.06e-05 (234/4.64e+06)
Model  16  Missing interactions: 0.308 (1.8e+03/5832)
              weighted: 0.0482 (6.22e+05/1.29e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.03e-05 (234/4.66e+06)
Model  17  Missing interactions: 0.301 (1.75e+03/5806)
              weighted: 0.0357 (4.49e+05/1.26e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.06e-05 (235/4.65e+06)
Model  18  Missing interactions: 0.311 (1.82e+03/5848)
              weighted: 0.0429 (5.42e+05/1.26e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.03e-05 (234/4.64e+06)
Model  19  Missing interactions: 0.305 (1.76e+03/5778)
              weighted: 0.0395 (4.89e+05/1.24e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.05e-05 (234/4.63e+06)
Model  20  Missing interactions: 0.308 (1.8e+03/5857)
              weighted: 0.0455 (5.82e+05/1.28e+07)
                    <3: 0.00352 (2/568)
                   <3w: 5.03e-05 (232/4.62e+06)

Model ave
 Recall: 0.993
 Precision: 
       all: 0.704  allw: 0.971
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.824
 F-measure:(Recall,PrecisionW) 0.982

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 1
 Recall: 0.989
 Precision: 
       all: 0.688  allw: 0.962
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.811
 F-measure:(Recall,PrecisionW) 0.975

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 2
 Recall: 0.99
 Precision: 
       all: 0.694  allw: 0.962
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.816
 F-measure:(Recall,PrecisionW) 0.976

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 3
 Recall: 0.988
 Precision: 
       all: 0.695  allw: 0.963
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.816
 F-measure:(Recall,PrecisionW) 0.976

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 4
 Recall: 0.99
 Precision: 
       all: 0.689  allw: 0.962
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.813
 F-measure:(Recall,PrecisionW) 0.976

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 5
 Recall: 0.988
 Precision: 
       all: 0.688  allw: 0.958
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.811
 F-measure:(Recall,PrecisionW) 0.973

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 6
 Recall: 0.989
 Precision: 
       all: 0.69  allw: 0.96
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.813
 F-measure:(Recall,PrecisionW) 0.974

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 7
 Recall: 0.99
 Precision: 
       all: 0.696  allw: 0.958
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.817
 F-measure:(Recall,PrecisionW) 0.974

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 8
 Recall: 0.988
 Precision: 
       all: 0.692  allw: 0.963
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.814
 F-measure:(Recall,PrecisionW) 0.975

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 9
 Recall: 0.991
 Precision: 
       all: 0.687  allw: 0.955
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.811
 F-measure:(Recall,PrecisionW) 0.973

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 10
 Recall: 0.989
 Precision: 
       all: 0.695  allw: 0.963
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.816
 F-measure:(Recall,PrecisionW) 0.976

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 11
 Recall: 0.988
 Precision: 
       all: 0.69  allw: 0.952
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.812
 F-measure:(Recall,PrecisionW) 0.97

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 12
 Recall: 0.99
 Precision: 
       all: 0.69  allw: 0.963
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.813
 F-measure:(Recall,PrecisionW) 0.976

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 13
 Recall: 0.99
 Precision: 
       all: 0.693  allw: 0.962
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.815
 F-measure:(Recall,PrecisionW) 0.976

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 14
 Recall: 0.991
 Precision: 
       all: 0.69  allw: 0.96
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.813
 F-measure:(Recall,PrecisionW) 0.976

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 15
 Recall: 0.99
 Precision: 
       all: 0.692  allw: 0.957
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.814
 F-measure:(Recall,PrecisionW) 0.973

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 16
 Recall: 0.99
 Precision: 
       all: 0.692  allw: 0.952
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.815
 F-measure:(Recall,PrecisionW) 0.97

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 17
 Recall: 0.991
 Precision: 
       all: 0.699  allw: 0.964
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.819
 F-measure:(Recall,PrecisionW) 0.977

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 18
 Recall: 0.989
 Precision: 
       all: 0.689  allw: 0.957
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.813
 F-measure:(Recall,PrecisionW) 0.973

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 19
 Recall: 0.989
 Precision: 
       all: 0.695  allw: 0.961
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.816
 F-measure:(Recall,PrecisionW) 0.975

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

Model 20
 Recall: 0.99
 Precision: 
       all: 0.692  allw: 0.955
        <3: 0.996  <3w: 1

 F-measure:(Recall,Precision)  0.814
 F-measure:(Recall,PrecisionW) 0.972

 F-measure:(0,PrecisionIdeal)  0.998
 F-measure:(0,PrecisionIdealW) 1

For freely-rotating-chain model:
Model ave Inconsistent score: 0.431(2694/6253) 
Model ave  Missing interactions: 0.215 (420/1950)
              weighted: 0.0459 (4.75e+04/1.03e+06)
                    <3: 0.0105 (6/572)
                   <3w: 0.0143 (1.08e+04/7.53e+05)

 Recall: 0.569
 Precision: 
       all: 0.785  allw: 0.954

 F-measure:(RecallFree,PrecisionFree)  0.66
 F-measure:(ReallFree,PrecisionFreeW) 0.713


 Final M-score 0.00197 2/1.02e+03

Model ave

 Final Recall-score for input query structures: 0.99
 Final Precision-score for input query structures: 0.973

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.981
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.93

Model 1

 Final Recall-score for input query structures: 0.986
 Final Precision-score for input query structures: 0.963

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.974
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.905

Model 2

 Final Recall-score for input query structures: 0.986
 Final Precision-score for input query structures: 0.964

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.975
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.908

Model 3

 Final Recall-score for input query structures: 0.985
 Final Precision-score for input query structures: 0.965

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.975
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.908

Model 4

 Final Recall-score for input query structures: 0.987
 Final Precision-score for input query structures: 0.963

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.975
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.908

Model 5

 Final Recall-score for input query structures: 0.986
 Final Precision-score for input query structures: 0.959

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.972
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.897

Model 6

 Final Recall-score for input query structures: 0.986
 Final Precision-score for input query structures: 0.963

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.974
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.905

Model 7

 Final Recall-score for input query structures: 0.986
 Final Precision-score for input query structures: 0.96

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.973
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.901

Model 8

 Final Recall-score for input query structures: 0.984
 Final Precision-score for input query structures: 0.965

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.975
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.908

Model 9

 Final Recall-score for input query structures: 0.988
 Final Precision-score for input query structures: 0.956

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.972
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.897

Model 10

 Final Recall-score for input query structures: 0.987
 Final Precision-score for input query structures: 0.965

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.976
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.912

Model 11

 Final Recall-score for input query structures: 0.984
 Final Precision-score for input query structures: 0.954

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.969
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.886

Model 12

 Final Recall-score for input query structures: 0.987
 Final Precision-score for input query structures: 0.965

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.976
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.912

Model 13

 Final Recall-score for input query structures: 0.987
 Final Precision-score for input query structures: 0.963

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.975
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.908

Model 14

 Final Recall-score for input query structures: 0.988
 Final Precision-score for input query structures: 0.96

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.974
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.905

Model 15

 Final Recall-score for input query structures: 0.987
 Final Precision-score for input query structures: 0.96

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.973
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.901

Model 16

 Final Recall-score for input query structures: 0.986
 Final Precision-score for input query structures: 0.955

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.97
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.89

Model 17

 Final Recall-score for input query structures: 0.988
 Final Precision-score for input query structures: 0.967

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.977
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.916

Model 18

 Final Recall-score for input query structures: 0.985
 Final Precision-score for input query structures: 0.959

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.972
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.897

Model 19

 Final Recall-score for input query structures: 0.986
 Final Precision-score for input query structures: 0.961

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.973
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.901

Model 20

 Final Recall-score for input query structures: 0.986
 Final Precision-score for input query structures: 0.957

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

 Final Recall-score for freely-rotating-chain model: 0.586
 Final Precision-score for freely-rotating-chain model: 0.955

 Summary:
 F-score of input query structures:      0.972
 F-score of ideal true structures:       1
 F-score of freely-rotating-chain model: 0.727

 DP-Score: 0.897