Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-12.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala A
A
 A
A
 A
A
A
 A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 0.608 ΔGbinding -0.606
TOTAL
 0.002
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.315
Van der Waals -1.885 Backbone clash 0.000
Electrostatics 0.099 Helix dipole 0.000
Solvation Polar 2.045 Water bridges -0.012
Solvation Hyd -2.722 Disulfide 0.000
VdW clashes 0.027 Electrost. Kon 0.090
Entropy sc 0.091 Part.cov.bonds 0.000
Entropy mc

1.346

 ΔGstability

10.860
       

Predicted ligand sequences for model [ABP1_1JO8-12.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  ABP1_1JO8-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRRRRRRK 0.0
2 WRFRRRRK 0.03
3 WRRRRRRR 0.03
4 WRFRRRRR 0.06
5 WRRRHRRK 0.17
6 WRRRKRRK 0.19
7 WRFRHRRK 0.2
8 WRRRHRRR 0.21
9 WRFRKRRK 0.22
10 WRRRKRRR 0.22
11 WRFRHRRR 0.24
12 WRFRKRRR 0.25
13 WKRRRRRK 0.35
14 RRRRRRRK 0.38
15 WKRRRRRR 0.38
16 WKFRRRRK 0.38
17 KRRRRRRK 0.38
18 WRMRRRRK 0.39
19 KRFRRRRK 0.41
20 WKFRRRRR 0.41
21 RRRRRRRR 0.41
22 RRFRRRRK 0.41
23 KRRRRRRR 0.41
24 WRMRRRRR 0.43
25 KRFRRRRR 0.44
26 RRFRRRRR 0.44
27 WRRRRRRH 0.47
28 WRFRRRRH 0.51
29 WKRRHRRK 0.52
30 WKRRKRRK 0.53
31 RRRRHRRK 0.55
32 WKFRHRRK 0.55
33 KRRRHRRK 0.55
34 WKRRHRRR 0.55
35 WKFRKRRK 0.56
36 WRMRHRRK 0.57
37 WKRRKRRR 0.57
38 KRRRKRRK 0.57
39 RRRRKRRK 0.57
40 WKFRHRRR 0.58
41 KRFRHRRK 0.58
42 RRFRHRRK 0.58
43 WRMRKRRK 0.58
44 RRRRHRRR 0.59
45 KRRRHRRR 0.59
46 WRMRHRRR 0.6
47 RRFRKRRK 0.6
48 KRFRKRRK 0.6
49 KRRRKRRR 0.6
50 WKFRKRRR 0.6
51 RRRRKRRR 0.6
52 WRMRKRRR 0.61
53 KRFRHRRR 0.62
54 RRFRHRRR 0.62
55 KRFRKRRR 0.63
56 RRFRKRRR 0.63
57 WRRRHRRH 0.65
58 WRRRKRRH 0.66
59 WRFRHRRH 0.68
60 WRFRKRRH 0.69
61 KKRRRRRK 0.72
62 RKRRRRRK 0.72
63 WKMRRRRK 0.74
64 KKFRRRRK 0.76
65 RKFRRRRK 0.76
66 KKRRRRRR 0.76
67 RKRRRRRR 0.76
68 WKMRRRRR 0.77
69 KRMRRRRK 0.77
70 RRMRRRRK 0.77
71 KKFRRRRR 0.79
72 RKFRRRRR 0.79
73 KRMRRRRR 0.81
74 RRMRRRRR 0.81
75 WKRRRRRH 0.82
76 RRRRRRRH 0.85
77 WKFRRRRH 0.85
78 KRRRRRRH 0.85
79 WRMRRRRH 0.87
80 KRFRRRRH 0.88
81 RRFRRRRH 0.88
82 RKRRHRRK 0.9
83 KKRRHRRK 0.9
84 KKRRKRRK 0.91
85 RKRRKRRK 0.91
86 WKMRHRRK 0.92
87 RKRRHRRR 0.93
88 WKMRKRRK 0.93
89 KKFRHRRK 0.93
90 RKFRHRRK 0.93
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRFRRRRK

2.1

-11.53

-9.43
2 RRRRRRRR

1.74

-10.75

-9.01
3 KRRRRRRR

1.95

-10.78

-8.83
4 WKRRRRRK

1.7

-10.34

-8.64
5 WRFRRRRR

1.81

-10.33

-8.52
6 WKRRHRRK

1.51

-9.8

-8.29
7 WRMRRRRK

1.83

-10.07

-8.24
8 WKRRKRRK

1.55

-9.69

-8.14
9 WRFRKRRK

1.88

-9.98

-8.1
10 RRFRRRRR

1.83

-9.85

-8.02
11 WKFRRRRR

2.28

-10.26

-7.98
12 WRFRHRRR

1.86

-9.79

-7.93
13 WRFRRRRK

2.18

-10.08

-7.9
14 WRRRRRRK

2.04

-9.83

-7.79
15 KRRRRRRK

1.83

-9.59

-7.76
16 WRFRHRRK

1.93

-9.62

-7.69
17 KRFRRRRR

2.3

-9.87

-7.57
18 KRFRRRRK

2.37

-9.8

-7.43
19 RRRRRRRK

1.45

-8.87

-7.42
20 WRRRKRRR

2.13

-9.51

-7.38
21 WRMRRRRR

1.79

-9.06

-7.27
22 WRRRHRRR

1.66

-8.78

-7.12
23 WRFRRRRH

2.32

-9.4

-7.08
24 WRRRHRRK

1.65

-8.44

-6.79
25 WKRRRRRR

1.88

-8.65

-6.77
26 WRRRRRRH

2.0

-8.63

-6.63
27 WRRRRRRR

2.02

-8.63

-6.61
28 WKFRRRRK

2.08

-8.36

-6.28
29 WRFRKRRR

1.8

-7.98

-6.18
30 WRRRKRRK

1.53

-7.69

-6.16

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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