Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-16.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 3.776 ΔGbinding 4.084
TOTAL
 7.860
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.906
Van der Waals -4.515 Backbone clash 0.250
Electrostatics 0.533 Helix dipole 0.000
Solvation Polar 5.193 Water bridges -0.096
Solvation Hyd -6.318 Disulfide 0.000
VdW clashes 4.424 Electrost. Kon 0.433
Entropy sc 0.681 Part.cov.bonds 0.000
Entropy mc

4.118

 ΔGstability

38.753
       

Predicted ligand sequences for model [ABP1_1OV32-16.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).
 
  ABP1_1OV32-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 KPRLKSVFF 0.0
2 KPRLPSVFF 0.02
3 KPRLRSVFF 0.03
4 KPRLKSVFY 0.07
5 KPRLPSVFY 0.09
6 KPRLRSVFY 0.1
7 KPKLKSVFF 0.15
8 KPRLKSVHF 0.16
9 KPKLPSVFF 0.17
10 KPKLRSVFF 0.18
11 KPRLPSVHF 0.18
12 KPRLRSVHF 0.19
13 KPKLKSVFY 0.22
14 KPRLKSVHY 0.23
15 KPPLKSVFF 0.24
16 KPKLPSVFY 0.24
17 KPKLRSVFY 0.25
18 KPRLPSVHY 0.25
19 KPRLRSVHY 0.26
20 KPPLPSVFF 0.27
21 KPPLRSVFF 0.28
22 KPRLKGVFF 0.28
23 KPRLPGVFF 0.31
24 KPPLKSVFY 0.31
25 KPKLKSVHF 0.31
26 KPRLRGVFF 0.32
27 KPKLPSVHF 0.33
28 KPKLRSVHF 0.34
29 KPPLRSVFY 0.34
30 KPPLPSVFY 0.34
31 KPRLKGVFY 0.35
32 KPRLPGVFY 0.37
33 KPRLRGVFY 0.38
34 KPKLKSVHY 0.38
35 KPRLKSFFF 0.4
36 KPKLPSVHY 0.4
37 KPPLKSVHF 0.4
38 KPKLRSVHY 0.41
39 KPRLPSFFF 0.42
40 KPRLRSFFF 0.43
41 KPPLPSVHF 0.43
42 KPKLKGVFF 0.43
43 KPRLKGVHF 0.44
44 KPPLRSVHF 0.44
45 KPRLKSWFF 0.46
46 KPKLPGVFF 0.46
47 KPRLKSFFY 0.47
48 KPKLRGVFF 0.47
49 KPRLPGVHF 0.47
50 KPPLKSVHY 0.47
51 KPRLRGVHF 0.47
52 KPRLPSWFF 0.48
53 KPRLPSFFY 0.49
54 KPRLRSWFF 0.49
55 KPPLPSVHY 0.49
56 KPRLRSFFY 0.5
57 KPPLRSVHY 0.5
58 KPKLKGVFY 0.5
59 KPRLKGVHY 0.51
60 KPKLPGVFY 0.52
61 KPRLKSWFY 0.52
62 KPKLRGVFY 0.53
63 KPPLKGVFF 0.53
64 KPRLPGVHY 0.53
65 KPRLRGVHY 0.54
66 KPKLKSFFF 0.55
67 KPPLPGVFF 0.55
68 KPRLRSWFY 0.55
69 KPRLPSWFY 0.55
70 KPPLRGVFF 0.56
71 KPRLKSFHF 0.56
72 KPKLPSFFF 0.57
73 KPRLPSFHF 0.58
74 KPKLRSFFF 0.58
75 KPKLKGVHF 0.59
76 KPRLRSFHF 0.59
77 KPPLKGVFY 0.59
78 KPKLKSWFF 0.61
79 KPRLKSWHF 0.61
80 KPPLPGVFY 0.62
81 KPKLKSFFY 0.62
82 KPKLPGVHF 0.62
83 KPRLKSFHY 0.62
84 KPPLRGVFY 0.63
85 KPKLPSWFF 0.63
86 KPKLRGVHF 0.63
87 KPPLKSFFF 0.64
88 KPKLPSFFY 0.64
89 KPRLPSWHF 0.64
90 KPKLRSWFF 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KPRLKGVFF

3.39

-6.55

-3.16
2 KPRLRGVFF

3.5

-6.21

-2.71
3 KPRLPGVFF

3.61

-5.57

-1.96
4 KPRLKSVHF

5.85

-7.37

-1.52
5 KPRLPSVFY

5.39

-6.44

-1.05
6 KPKLKSVHF

5.4

-6.4

-1.0
7 KPRLRSVFY

5.54

-6.54

-1.0
8 KPRLKSVFF

4.55

-5.5

-0.95
9 KPRLRSVHF

5.61

-6.56

-0.95
10 KPRLKSVHY

5.41

-6.28

-0.87
11 KPPLKSVFF

5.63

-6.43

-0.8
12 KPKLRSVHF

5.64

-6.35

-0.71
13 KPPLRSVFY

5.76

-6.46

-0.7
14 KPKLPSVHF

5.41

-6.11

-0.7
15 KPPLRSVFF

5.69

-6.29

-0.6
16 KPRLRSVHY

5.97

-6.56

-0.59
17 KPRLPSVHF

5.5

-5.9

-0.4
18 KPKLRSVFF

5.82

-6.13

-0.31
19 KPKLKSVFY

5.49

-5.73

-0.24
20 KPKLKSVFF

5.41

-5.63

-0.22
21 KPKLRSVFY

5.73

-5.94

-0.21
22 KPRLPSVFF

5.64

-5.81

-0.17
23 KPRLRSVFF

5.68

-5.69

-0.01
24 KPKLPSVFF

5.7

-5.68

0.02
25 KPPLKSVFY

5.4

-5.35

0.05
26 KPRLPSVHY

5.34

-5.25

0.09
27 KPRLKSVFY

5.76

-5.47

0.29
28 KPPLPSVFF

5.59

-5.29

0.3
29 KPPLPSVFY

5.52

-5.09

0.43
30 KPKLPSVFY

5.83

-4.78

1.05

 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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