Predicted ligand sequences


ADAN-name: 1FHR2.PDB (view again the scoring matrix)

PDB name: [1FHR.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E D I y Y L D
position 1 2 3 4 5 6 7
poly-Ala
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 4.505 ΔGbinding -5.143
TOTAL
 -0.638
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -3.550 Torsional clash 0.390
Van der Waals -4.630 Backbone clash 0.965
Electrostatics -1.235 Helix dipole 0.000
Solvation Polar 6.077 Water bridges -0.356
Solvation Hyd -5.623 Disulfide 0.000
VdW clashes 0.520 Electrost. Kon -1.394
Entropy sc 2.671 Part.cov.bonds 0.000
Entropy mc

1.987

 ΔGstability

229.938
       

Predicted ligand sequences for template [1FHR2.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).
 
  1FHR2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGDysQy 0.0
2 RGpysQy 0.04
3 RGDyEQy 0.08
4 RGWysQy 0.08
5 RGyysQy 0.11
6 RGpyEQy 0.12
7 sGDysQy 0.14
8 RGLysQy 0.15
9 RGWyEQy 0.16
10 sGpysQy 0.18
11 RGyyEQy 0.19
12 sGDyEQy 0.22
13 sGWysQy 0.22
14 RGLyEQy 0.23
15 sGyysQy 0.25
16 sGpyEQy 0.26
17 sGLysQy 0.29
18 sGWyEQy 0.3
19 RGDyyQy 0.31
20 sGyyEQy 0.33
21 RGDyDQy 0.33
22 RGpyyQy 0.35
23 RGpyDQy 0.37
24 sGLyEQy 0.37
25 RGDysQs 0.39
26 RGWyyQy 0.39
27 RGWyDQy 0.41
28 RGDySQy 0.42
29 RGyyyQy 0.43
30 RGyyDQy 0.44
31 RGpysQs 0.44
32 sGDyyQy 0.45
33 RGLyyQy 0.46
34 RGpySQy 0.47
35 sGDyDQy 0.47
36 RGDyEQs 0.47
37 RGWysQs 0.47
38 RGLyDQy 0.48
39 sGpyyQy 0.5
40 RGWySQy 0.51
41 sGpyDQy 0.51
42 RGyysQs 0.51
43 RGpyEQs 0.52
44 sGWyyQy 0.53
45 sGDysQs 0.53
46 RGyySQy 0.54
47 sGWyDQy 0.55
48 RGWyEQs 0.55
49 RGLysQs 0.55
50 sGDySQy 0.57
51 sGyyyQy 0.57
52 sGpysQs 0.58
53 sGyyDQy 0.58
54 RGLySQy 0.58
55 RGyyEQs 0.59
56 sGLyyQy 0.61
57 sGpySQy 0.61
58 sGDyEQs 0.61
59 sGWysQs 0.61
60 sGLyDQy 0.62
61 RGLyEQs 0.63
62 sGyysQs 0.65
63 sGWySQy 0.65
64 sGpyEQs 0.66
65 sGyySQy 0.68
66 sGWyEQs 0.69
67 sGLysQs 0.69
68 RGDyyQs 0.71
69 sGLySQy 0.72
70 RGDyDQs 0.72
71 sGyyEQs 0.73
72 RGpyyQs 0.75
73 RGpyDQs 0.76
74 sGLyEQs 0.77
75 RGWyyQs 0.79
76 RGWyDQs 0.8
77 RGyyyQs 0.82
78 RGDySQs 0.82
79 RGyyDQs 0.83
80 sGDyyQs 0.85
81 RGpySQs 0.86
82 sGDyDQs 0.86
83 RGLyyQs 0.86
84 RGLyDQs 0.87
85 sGpyyQs 0.89
86 RGWySQs 0.9
87 sGpyDQs 0.9
88 sGWyyQs 0.93
89 RGyySQs 0.93
90 sGWyDQs 0.94
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sGLysQy

3.08

-10.06

-6.98
2 sGDysQy

3.03

-9.4

-6.37
3 sGLyEQy

3.03

-9.38

-6.35
4 sGpysQy

3.07

-9.22

-6.15
5 sGpyEQy

2.8

-8.85

-6.05
6 RGDysQy

3.05

-8.92

-5.87
7 RGDysQs

3.07

-8.93

-5.86
8 RGDyEQy

3.05

-8.86

-5.81
9 RGLysQy

3.06

-8.84

-5.78
10 sGWyEQy

3.76

-9.49

-5.73
11 RGyysQy

3.07

-8.72

-5.65
12 RGpyEQy

3.1

-8.35

-5.25
13 RGWysQy

2.81

-8.04

-5.23
14 RGWyyQy

3.03

-8.2

-5.17
15 RGWyDQy

2.94

-8.09

-5.15
16 sGDyEQy

2.97

-7.89

-4.92
17 RGWyEQy

3.6

-8.43

-4.83
18 RGLyEQy

2.94

-7.72

-4.78
19 RGDySQy

2.96

-7.71

-4.75
20 sGWysQy

3.15

-7.81

-4.66
21 RGyyDQy

2.99

-7.59

-4.6
22 RGyyEQy

2.93

-7.24

-4.31
23 sGyyEQy

3.13

-7.19

-4.06
24 sGyysQy

3.19

-7.02

-3.83
25 RGyyyQy

3.0

-6.82

-3.82
26 RGDyDQy

2.98

-6.79

-3.81
27 RGpysQy

2.94

-6.72

-3.78
28 RGpyDQy

2.97

-6.75

-3.78
29 RGDyyQy

2.99

-6.62

-3.63
30 RGpyyQy

3.0

-6.62

-3.62

 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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