Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-11.PDB (view again the scoring matrix)

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

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 0.784 ΔGbinding -0.411
TOTAL
 0.373
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.688
Van der Waals -3.126 Backbone clash 0.002
Electrostatics 0.235 Helix dipole 0.000
Solvation Polar 3.185 Water bridges -0.055
Solvation Hyd -4.408 Disulfide 0.000
VdW clashes 0.038 Electrost. Kon 0.266
Entropy sc 0.279 Part.cov.bonds 0.000
Entropy mc

2.487

 ΔGstability

11.604
       

Predicted ligand sequences for model [ABP1_1JO8-11.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_1JO8-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRPIHRR 0.0
2 YRPTHRR 0.04
3 YRPRHRR 0.06
4 YRRIHRR 0.21
5 YRRTHRR 0.25
6 YRRRHRR 0.27
7 YRKIHRR 0.29
8 YRKTHRR 0.33
9 YRKRHRR 0.35
10 YRPIHKR 0.36
11 YRPTHKR 0.4
12 YRPRHKR 0.42
13 YRPIHPR 0.43
14 YLPIHRR 0.43
15 YRPTHPR 0.47
16 YLPTHRR 0.47
17 YRPRHPR 0.49
18 YLPRHRR 0.49
19 YRPIFRR 0.5
20 YRPTFRR 0.54
21 YRPRFRR 0.56
22 YRRIHKR 0.57
23 YRRTHKR 0.61
24 YRRRHKR 0.63
25 YLRIHRR 0.64
26 YRRIHPR 0.64
27 YRKIHKR 0.65
28 YLRTHRR 0.68
29 YRRTHPR 0.68
30 YRKTHKR 0.69
31 YRRRHPR 0.7
32 YLRRHRR 0.7
33 YRRIFRR 0.71
34 YRKRHKR 0.71
35 YLKIHRR 0.71
36 YRKIHPR 0.72
37 YRRTFRR 0.75
38 YLKTHRR 0.76
39 YRKTHPR 0.76
40 YRRRFRR 0.77
41 YRKIFRR 0.78
42 YLKRHRR 0.78
43 YRKRHPR 0.78
44 YLPIHKR 0.78
45 YLPTHKR 0.83
46 YRKTFRR 0.83
47 YRKRFRR 0.85
48 YRPIFKR 0.85
49 YLPRHKR 0.85
50 YLPIHPR 0.86
51 YLPTHPR 0.9
52 YRPTFKR 0.9
53 YRPRFKR 0.92
54 YLPRHPR 0.92
55 YLPIFRR 0.92
56 YRPIFPR 0.93
57 YLPTFRR 0.96
58 YRPTFPR 0.97
59 YRPRFPR 0.99
60 YLPRFRR 0.99
61 YLRIHKR 0.99
62 YLRTHKR 1.04
63 YRRIFKR 1.06
64 YLRRHKR 1.06
65 YLRIHPR 1.06
66 YLKIHKR 1.07
67 YLRTHPR 1.11
68 YRRTFKR 1.11
69 YLKTHKR 1.11
70 YRRRFKR 1.13
71 YLKRHKR 1.13
72 YLRRHPR 1.13
73 YLRIFRR 1.13
74 YRRIFPR 1.14
75 YLKIHPR 1.14
76 YRKIFKR 1.14
77 YLRTFRR 1.17
78 YRRTFPR 1.18
79 YLRRFRR 1.19
80 YLKTHPR 1.19
81 YRKTFKR 1.19
82 YRRRFPR 1.2
83 YLKRHPR 1.21
84 YLKIFRR 1.21
85 YRKRFKR 1.21
86 YRKIFPR 1.21
87 YLKTFRR 1.25
88 YRKTFPR 1.26
89 YLKRFRR 1.27
90 YRKRFPR 1.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YLPRHRR

3.03

-13.93

-10.9
2 YRKRHRR

2.8

-12.06

-9.26
3 YRPRHPR

2.44

-10.8

-8.36
4 YRRRHRR

2.94

-11.24

-8.3
5 YLRTHRR

2.6

-10.12

-7.52
6 YLPIHRR

3.53

-10.84

-7.31
7 YLRIHRR

3.15

-10.25

-7.1
8 YRPRHRR

2.48

-9.3

-6.82
9 YRRIHRR

2.78

-9.58

-6.8
10 YRPIHRR

2.66

-9.34

-6.68
11 YLPTHRR

2.69

-9.13

-6.44
12 YRPRFRR

1.75

-8.13

-6.38
13 YRRTHRR

2.58

-8.88

-6.3
14 YRPTHRR

2.78

-8.83

-6.05
15 YRRIHKR

2.64

-8.66

-6.02
16 YRKIHRR

3.29

-9.3

-6.01
17 YRPIFRR

2.69

-8.45

-5.76
18 YRKTHRR

2.61

-8.35

-5.74
19 YRKIHKR

3.22

-8.71

-5.49
20 YRRIHPR

2.52

-8.01

-5.49
21 YRPIHKR

2.77

-8.2

-5.43
22 YRRTHKR

2.57

-7.87

-5.3
23 YRKTHKR

2.49

-7.74

-5.25
24 YRPTHPR

2.39

-7.55

-5.16
25 YRRRHKR

2.88

-7.95

-5.07
26 YRPRHKR

2.94

-7.98

-5.04
27 YRPIHPR

2.41

-7.45

-5.04
28 YRRTHPR

2.04

-6.79

-4.75
29 YRPTFRR

2.47

-7.18

-4.71
30 YRPTHKR

2.65

-6.74

-4.09

 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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