Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-16.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 0.304 ΔGbinding 2.784
TOTAL
 3.088
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.332
Van der Waals -4.230 Backbone clash 0.312
Electrostatics 0.342 Helix dipole 0.000
Solvation Polar 5.021 Water bridges -0.076
Solvation Hyd -6.048 Disulfide 0.000
VdW clashes 4.243 Electrost. Kon 0.144
Entropy sc 0.571 Part.cov.bonds 0.000
Entropy mc

3.759

 ΔGstability

13.088
       

Predicted ligand sequences for model [SHO1_2VKN-16.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).
 
  SHO1_2VKN-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHPLWSRKG 0.0
2 RHPLWSRWG 0.09
3 RHPLWSRRG 0.09
4 RHFLWSRKG 0.18
5 RHPIWSRKG 0.2
6 RHFLWSRWG 0.27
7 RHFLWSRRG 0.27
8 RHYLWSRKG 0.28
9 RHPIWSRWG 0.29
10 RHPIWSRRG 0.29
11 FHPLWSRKG 0.34
12 RHYLWSRWG 0.36
13 RHPLWSRKF 0.36
14 RHYLWSRRG 0.37
15 RHFIWSRKG 0.39
16 RHPLPSRKG 0.4
17 FHPLWSRWG 0.42
18 RHPLWGRKG 0.42
19 FHPLWSRRG 0.43
20 RHPLWSRWF 0.44
21 RHPLWSRRF 0.45
22 RHFIWSRWG 0.47
23 RHFIWSRRG 0.47
24 RHYIWSRKG 0.48
25 RHPLPSRWG 0.49
26 RHPLPSRRG 0.49
27 RHPLWGRWG 0.51
28 RHPLWGRRG 0.51
29 FHFLWSRKG 0.52
30 RHFLWSRKF 0.54
31 FHPIWSRKG 0.54
32 RHYIWSRWG 0.56
33 RHPIWSRKF 0.56
34 RHYIWSRRG 0.57
35 RHFLPSRKG 0.59
36 RHPIPSRKG 0.6
37 RHFLWGRKG 0.61
38 FHFLWSRRG 0.61
39 FHYLWSRKG 0.61
40 FHFLWSRWG 0.61
41 FHPIWSRRG 0.62
42 RHPIWGRKG 0.62
43 FHPIWSRWG 0.62
44 RHFLWSRWF 0.63
45 RHFLWSRRF 0.63
46 RHPIWSRWF 0.64
47 RHYLWSRKF 0.64
48 RHPIWSRRF 0.65
49 RHFLPSRWG 0.67
50 RHYLPSRKG 0.68
51 RHFLPSRRG 0.68
52 RHFLWGRRG 0.69
53 RHFLWGRWG 0.69
54 RHPIPSRWG 0.69
55 RHPIPSRRG 0.69
56 FHYLWSRWG 0.7
57 FHPLWSRKF 0.7
58 FHYLWSRRG 0.7
59 RHYLWGRKG 0.7
60 RHPIWGRRG 0.71
61 RHPIWGRWG 0.71
62 RHYLWSRWF 0.72
63 FHFIWSRKG 0.72
64 RHYLWSRRF 0.72
65 RHFIWSRKF 0.74
66 FHPLPSRKG 0.74
67 FHPLWGRKG 0.76
68 RHPLPSRKF 0.76
69 RHYLPSRRG 0.77
70 RHYLPSRWG 0.77
71 RHYLWGRWG 0.78
72 FHPLWSRRF 0.78
73 FHPLWSRWF 0.78
74 RHPLWGRKF 0.78
75 RHFIPSRKG 0.79
76 RHYLWGRRG 0.79
77 FHYIWSRKG 0.81
78 FHFIWSRWG 0.81
79 FHFIWSRRG 0.81
80 RHFIWGRKG 0.81
81 RHPLPGRKG 0.82
82 FHPLPSRWG 0.82
83 FHPLPSRRG 0.83
84 RHFIWSRWF 0.83
85 RHFIWSRRF 0.83
86 FHPLWGRWG 0.84
87 RHYIWSRKF 0.84
88 FHPLWGRRG 0.85
89 RHPLPSRWF 0.85
90 RHPLPSRRF 0.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHPLWGRKG

1.49

-6.09

-4.6
2 RHPLWGRRG

1.63

-6.12

-4.49
3 RHYLWSRRG

2.89

-6.45

-3.56
4 RHFLWSRRG

2.65

-5.63

-2.98
5 RHFLWSRKG

2.84

-5.79

-2.95
6 RHFLWSRKF

4.51

-7.37

-2.86
7 RHPLWSRRG

3.58

-6.39

-2.81
8 RHPLWGRWG

1.45

-4.11

-2.66
9 RHPLWSRKG

2.47

-5.12

-2.65
10 RHYLWSRKG

1.72

-4.29

-2.57
11 RHPLPSRKG

3.51

-5.93

-2.42
12 RHPIWSRKG

2.46

-4.51

-2.05
13 RHPLPSRRG

3.65

-5.69

-2.04
14 FHPLWSRKG

3.61

-5.62

-2.01
15 RHFIWSRRG

2.66

-4.66

-2.0
16 RHFIWSRKG

2.53

-4.48

-1.95
17 RHPLWSRKF

4.94

-6.85

-1.91
18 FHPLWSRRG

3.52

-5.19

-1.67
19 FHFLWSRKG

2.7

-4.27

-1.57
20 RHFLWSRWG

2.68

-4.24

-1.56
21 RHPLWSRRF

5.16

-6.43

-1.27
22 RHPLWSRWG

3.53

-4.73

-1.2
23 RHYLWSRWG

2.75

-3.91

-1.16
24 RHYIWSRKG

2.95

-4.05

-1.1
25 RHPIWSRRG

3.35

-4.39

-1.04
26 FHPLWSRWG

3.79

-4.8

-1.01
27 RHPLPSRWG

3.31

-4.2

-0.89
28 RHPLWSRWF

5.17

-5.34

-0.17
29 RHFIWSRWG

2.5

-2.47

0.03
30 RHPIWSRWG

3.48

-2.82

0.66

 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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