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frust_fix_backbone_coeff.data
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frust_fix_backbone_coeff.data
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[Chain]
60.0 60.0 60.0
2.459108 2.519591 2.466597
[Chi]
60.0 -0.71
[Epsilon]
1.0
[Rama]
2.0
5
1.3149 15.398 0.15 1.74 0.65 -2.138
1.32016 49.0521 0.25 1.265 0.45 0.318
1.0264 49.0954 0.65 -1.3 0.25 -0.5
2.0 99.0 1.0 1.1 1.0 0.820
2.0 15.398 1.0 2.25 1.0 -2.16
[Rama_P]
3
0.0 0.0 1.0 0.0 1.0 0.0
2.17 105.52 1.0 1.153 0.15 -2.4
2.15 109.09 1.0 0.95 0.15 0.218
0.0 0.0 1.0 0.0 2.0 0.0
0.0 0.0 1.0 0.0 2.0 0.0
[SSWeight]
0 0 0 1 1 0
0 0 0 0 0 0
[ABC]
0.4831806 0.703282 -0.1864262
0.4436538 0.2352006 0.3211455
0.841 0.89296 -0.73389
[Dssp_Hdrgn]-
0.5
0.0 0.0
1.37 0.0 3.49 1.30 1.32 1.22 0.0
1.36 0.0 3.50 1.30 1.32 1.22 3.47 0.33 1.01
1.17 0.0 3.52 1.30 1.32 1.22 3.62 0.33 1.01
0.76 0.68
2.06 2.98
7.0
1.0 0.5
12.0
[P_AP]-
0.5
1.5
1.0 0.4 0.4
8.0
7.0
5 8
4
[Water]
0.75
5.0 7.0
2.6
10
2
4.5 6.5 1
6.5 9.5 1
[Burial]
1.0
4.0
0.0 3.0
3.0 6.0
6.0 9.0
[Helix]-
0.5
2.0 -1.0
7.0 7.0
3.0
4
15.0
4.5 6.5
0.77 0.68 0.07 0.15 0.23 0.33 0.27 0.0 0.06 0.23 0.62 0.65 0.50 0.41 -3.0 0.35 0.11 0.45 0.17 0.14
0 -3.0
0.76 0.68
2.1558 2.9862
[Fragment_Memory_Table]-
0.2
fragsLAMW.mem.single
seq.gamma
0 50 0.01
0.1
0
0.15
[DebyeHuckel]
5.0 5.0 5.0
1.0
10.0
1
[Tertiary_Frustratometer]
10
1000
1
configurational
[Tertiary_Frustratometer]-
9.5 #contact cut-off
10000 #number of decoys
1
configurational / mutational / singleresidue