Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-20.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9
poly-Ala
A
A
A
 A
A
G
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 2.355 ΔGbinding 1.815
TOTAL
 4.170
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.228
Van der Waals -4.196 Backbone clash 0.090
Electrostatics 0.440 Helix dipole 0.000
Solvation Polar 4.304 Water bridges -0.016
Solvation Hyd -6.089 Disulfide 0.000
VdW clashes 3.526 Electrost. Kon 0.386
Entropy sc 0.552 Part.cov.bonds 0.000
Entropy mc

3.955

 ΔGstability

18.822
       

Predicted ligand sequences for model [ABP1_1JO8-20.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_1JO8-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRPKNGRSF 0.0
2 HRFKNGRSF 0.0
3 HRHKNGRSF 0.02
4 HRWKNGRSF 0.03
5 HRFMNGRSF 0.21
6 HRPMNGRSF 0.21
7 HRHMNGRSF 0.23
8 HRWMNGRSF 0.24
9 HRFKNGRSW 0.31
10 HRPKNGRSW 0.31
11 HRHKNGRSW 0.33
12 HRWKNGRSW 0.34
13 RRFKNGRSF 0.36
14 RRPKNGRSF 0.36
15 RRHKNGRSF 0.38
16 RRWKNGRSF 0.39
17 HRFKRGRSF 0.42
18 HRPKRGRSF 0.42
19 HRPQNGRSF 0.43
20 HRFQNGRSF 0.43
21 HRHKRGRSF 0.44
22 HRWKRGRSF 0.45
23 HRPRNGRSF 0.45
24 HRHQNGRSF 0.45
25 HRWQNGRSF 0.46
26 HRFRNGRSF 0.46
27 HRHRNGRSF 0.47
28 HRWRNGRSF 0.49
29 HRFMNGRSW 0.52
30 HRPMNGRSW 0.52
31 HRHMNGRSW 0.54
32 HRWMNGRSW 0.55
33 RRPMNGRSF 0.57
34 RRFMNGRSF 0.57
35 RRHMNGRSF 0.59
36 RRWMNGRSF 0.6
37 HRFMRGRSF 0.63
38 HRPMRGRSF 0.63
39 HRHMRGRSF 0.65
40 HRWMRGRSF 0.66
41 RRFKNGRSW 0.67
42 RRPKNGRSW 0.67
43 RRHKNGRSW 0.69
44 RRWKNGRSW 0.7
45 HRPKRGRSW 0.72
46 HRFKRGRSW 0.73
47 HRPQNGRSW 0.73
48 HRFQNGRSW 0.74
49 HRHKRGRSW 0.74
50 HRHQNGRSW 0.75
51 HRPRNGRSW 0.76
52 HRWKRGRSW 0.76
53 HRFRNGRSW 0.76
54 HRWQNGRSW 0.77
55 RRFKRGRSF 0.78
56 HRHRNGRSW 0.78
57 RRPKRGRSF 0.78
58 HRWRNGRSW 0.79
59 RRPQNGRSF 0.79
60 RRFQNGRSF 0.79
61 RRHKRGRSF 0.8
62 RRFRNGRSF 0.81
63 RRWKRGRSF 0.81
64 RRHQNGRSF 0.81
65 RRPRNGRSF 0.81
66 RRWQNGRSF 0.82
67 RRHRNGRSF 0.83
68 HRPQRGRSF 0.84
69 RRWRNGRSF 0.85
70 HRFQRGRSF 0.85
71 HRHQRGRSF 0.86
72 HRPRRGRSF 0.87
73 HRFRRGRSF 0.87
74 RRPMNGRSW 0.88
75 HRWQRGRSF 0.88
76 RRFMNGRSW 0.88
77 HRHRRGRSF 0.89
78 HRWRRGRSF 0.9
79 RRHMNGRSW 0.9
80 RRWMNGRSW 0.91
81 HRFMRGRSW 0.94
82 HRPMRGRSW 0.94
83 HRHMRGRSW 0.96
84 HRWMRGRSW 0.97
85 RRPMRGRSF 0.99
86 RRFMRGRSF 0.99
87 RRHMRGRSF 1.01
88 RRWMRGRSF 1.02
89 RRPKRGRSW 1.08
90 RRFKRGRSW 1.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRFKNGRSF

2.57

-9.65

-7.08
2 RRHKNGRSF

2.58

-9.55

-6.97
3 HRHKRGRSF

2.48

-9.23

-6.75
4 HRHKNGRSW

2.71

-9.0

-6.29
5 HRPKRGRSF

2.97

-8.98

-6.01
6 HRWKRGRSF

2.75

-8.66

-5.91
7 RRPKNGRSF

2.78

-8.64

-5.86
8 HRPMNGRSF

3.34

-9.14

-5.8
9 HRFKRGRSF

2.02

-7.74

-5.72
10 HRFKNGRSF

1.97

-7.65

-5.68
11 HRWRNGRSF

2.49

-8.06

-5.57
12 HRPQNGRSF

1.97

-7.36

-5.39
13 HRHRNGRSF

1.95

-7.32

-5.37
14 RRWKNGRSF

2.0

-7.34

-5.34
15 HRHKNGRSF

2.64

-7.82

-5.18
16 HRPRNGRSF

2.19

-7.33

-5.14
17 HRPKNGRSF

2.64

-7.72

-5.08
18 HRWMNGRSF

2.1

-7.02

-4.92
19 HRWQNGRSF

2.69

-7.53

-4.84
20 HRPKNGRSW

2.56

-7.36

-4.8
21 HRHMNGRSF

2.79

-7.58

-4.79
22 HRHQNGRSF

2.6

-7.3

-4.7
23 HRFQNGRSF

2.53

-7.09

-4.56
24 HRWKNGRSW

1.84

-6.33

-4.49
25 HRFMNGRSW

2.06

-6.48

-4.42
26 HRFRNGRSF

2.84

-7.18

-4.34
27 HRPMNGRSW

2.59

-6.92

-4.33
28 HRFMNGRSF

1.79

-6.0

-4.21
29 HRWKNGRSF

2.1

-6.29

-4.19
30 HRFKNGRSW

2.6

-6.63

-4.03

 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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