Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-4.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 10
poly-Ala
A
A
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 13.145 ΔGbinding 8.470
TOTAL
 21.615
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.407
Van der Waals -5.774 Backbone clash 0.149
Electrostatics 0.074 Helix dipole 0.000
Solvation Polar 6.572 Water bridges -0.313
Solvation Hyd -8.512 Disulfide 0.000
VdW clashes 12.255 Electrost. Kon 0.023
Entropy sc 1.126 Part.cov.bonds 0.000
Entropy mc

2.888

 ΔGstability

54.971
       

Predicted ligand sequences for model [SLA1-D3_1KA9-4.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).
 
  SLA1-D3_1KA9-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 GHPRRHPDPR 0.0
2 GHPRRHPPPR 0.1
3 GHKRRHPDPR 0.14
4 GHRRRHPDPR 0.15
5 GHPRRHPDPH 0.24
6 GHKRRHPPPR 0.24
7 GHRRRHPPPR 0.25
8 GHPRRHPEPR 0.26
9 GHPRRHPPPH 0.34
10 GHKRRHPDPH 0.37
11 GHRRRHPDPH 0.38
12 GHKRRHPEPR 0.4
13 GHRRRHPEPR 0.41
14 GHPKRHPDPR 0.43
15 GHPRRHPDWR 0.46
16 GHPRRHIDPR 0.46
17 GHKRRHPPPH 0.47
18 GHRRRHPPPH 0.48
19 GHPRRHMDPR 0.48
20 GHPRRPPDPR 0.49
21 GHPRRHPEPH 0.5
22 GHPKRHPPPR 0.54
23 GHPRRHIPPR 0.56
24 GHKKRHPDPR 0.57
25 GHPRRHPPWR 0.57
26 GHPRRHMPPR 0.58
27 GHRKRHPDPR 0.58
28 GHKRRHIDPR 0.59
29 GHPRRPPPPR 0.59
30 GHRRRHIDPR 0.6
31 GHKRRHPDWR 0.6
32 GHRRRHPDWR 0.61
33 GHKRRPPDPR 0.62
34 GHKRRHMDPR 0.62
35 GHRRRPPDPR 0.63
36 GHRRRHMDPR 0.63
37 GHKRRHPEPH 0.64
38 GHRRRHPEPH 0.65
39 GHKKRHPPPR 0.67
40 GHPKRHPDPH 0.67
41 GHRKRHPPPR 0.68
42 GHPKRHPEPR 0.7
43 GHKRRHIPPR 0.7
44 GHKRRHPPWR 0.7
45 GHPRRHPDWH 0.7
46 GHPRRHIDPH 0.7
47 GHRRRHIPPR 0.71
48 GHRRRHPPWR 0.71
49 GHPRRHMDPH 0.72
50 GHPRRPPDPH 0.72
51 GHKRRHMPPR 0.72
52 GHPRRHIEPR 0.72
53 GHRRRHMPPR 0.73
54 GHKRRPPPPR 0.73
55 GHPRRHPEWR 0.73
56 GHRRRPPPPR 0.74
57 GHPRRHMEPR 0.74
58 GHPRRPPEPR 0.75
59 GHPKRHPPPH 0.77
60 GHKKRHPDPH 0.8
61 GHPRRHIPPH 0.8
62 GHPRRHPPWH 0.8
63 GHRKRHPDPH 0.81
64 GHPRRHMPPH 0.82
65 GHKRRHIDPH 0.83
66 GHPRRPPPPH 0.83
67 GHKRRHPDWH 0.83
68 GHKKRHPEPR 0.83
69 GHRKRHPEPR 0.84
70 GHRRRHPDWH 0.84
71 GHRRRHIDPH 0.84
72 GHKRRHMDPH 0.85
73 GHKRRPPDPH 0.86
74 GHKRRHIEPR 0.86
75 GHKRRHPEWR 0.86
76 GHRRRHMDPH 0.86
77 GHRRRHIEPR 0.87
78 GHRRRHPEWR 0.87
79 GHRRRPPDPH 0.87
80 GHKRRHMEPR 0.88
81 GHPKRHIDPR 0.89
82 GHKRRPPEPR 0.89
83 GHRRRHMEPR 0.89
84 GHRRRPPEPR 0.9
85 GHPKRHPDWR 0.9
86 GHKKRHPPPH 0.91
87 GHPKRHMDPR 0.91
88 GHPRRHIDWR 0.92
89 GHRKRHPPPH 0.92
90 GHPKRPPDPR 0.92
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GHRRRHPDPH

5.04

-9.26

-4.22
2 GHKRRHPPPH

6.16

-8.81

-2.65
3 GHPRRHPPPH

7.64

-10.12

-2.48
4 GHPRRHMDPR

5.11

-7.31

-2.2
5 GHRRRHIDPR

7.33

-8.94

-1.61
6 GHRKRHPDPR

7.64

-9.15

-1.51
7 GHKRRHPPPR

7.9

-9.36

-1.46
8 GHPRRHIPPR

5.61

-7.03

-1.42
9 GHRRRHPPPR

8.3

-9.66

-1.36
10 GHRRRHPEPR

8.66

-9.83

-1.17
11 GHKRRHPEPR

7.82

-8.82

-1.0
12 GHPKRHPDPR

7.43

-8.31

-0.88
13 GHPRRHMPPR

8.51

-9.35

-0.84
14 GHKKRHPDPR

8.79

-9.62

-0.83
15 GHPKRHPPPR

9.03

-9.67

-0.64
16 GHKRRHIDPR

7.29

-7.82

-0.53
17 GHPRRHPDPR

7.59

-8.12

-0.53
18 GHPRRHPDPH

8.32

-8.74

-0.42
19 GHKRRHPDPR

6.78

-7.08

-0.3
20 GHRRRHPPPH

8.78

-8.98

-0.2
21 GHRRRHPDPR

7.31

-7.46

-0.15
22 GHPRRHPEPH

7.83

-7.89

-0.06
23 GHKRRHPDPH

7.5

-7.29

0.21
24 GHPRRPPPPR

7.49

-7.12

0.37
25 GHPRRPPDPR

7.42

-6.89

0.53
26 GHPRRHIDPR

6.37

-5.78

0.59
27 GHPRRHPDWR

8.44

-7.8

0.64
28 GHPRRHPEPR

8.36

-7.71

0.65
29 GHPRRHPPPR

9.32

-7.92

1.4
30 GHPRRHPPWR

9.88

-7.42

2.46

 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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