Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-25.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
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 3.847 ΔGbinding 0.716
TOTAL
 4.563
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.582
Van der Waals -3.768 Backbone clash 0.000
Electrostatics 0.262 Helix dipole 0.000
Solvation Polar 4.054 Water bridges 0.000
Solvation Hyd -5.251 Disulfide 0.000
VdW clashes 2.277 Electrost. Kon 0.319
Entropy sc 0.450 Part.cov.bonds 0.000
Entropy mc

3.066

 ΔGstability

50.210
       

Predicted ligand sequences for model [HSE1_1OEB-25.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).
 
  HSE1_1OEB-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYPPMGRKN 0.0
2 KYPPMGRKN 0.18
3 HYPPMGRKN 0.2
4 RYPKMGRKN 0.32
5 RYPPKGRKN 0.39
6 RYPPMFRKN 0.4
7 RYPPMGKKN 0.42
8 RYPRMGRKN 0.45
9 RYPPRGRKN 0.46
10 RYPPMGHKN 0.5
11 KYPKMGRKN 0.5
12 HYPKMGRKN 0.52
13 KYPPKGRKN 0.57
14 KYPPMFRKN 0.58
15 HYPPKGRKN 0.59
16 KYPPMGKKN 0.6
17 HYPPMFRKN 0.6
18 HYPPMGKKN 0.62
19 KYPRMGRKN 0.63
20 KYPPRGRKN 0.64
21 HYPRMGRKN 0.65
22 HYPPRGRKN 0.66
23 KYPPMGHKN 0.68
24 HYPPMGHKN 0.7
25 RYPKKGRKN 0.71
26 RYPKMFRKN 0.72
27 RYPKMGKKN 0.74
28 RYPKRGRKN 0.78
29 RYPPKFRKN 0.79
30 RYPPKGKKN 0.81
31 RYPKMGHKN 0.82
32 RYPPMFKKN 0.82
33 RYPRKGRKN 0.84
34 RYPRMFRKN 0.85
35 RYPPRFRKN 0.86
36 RYPRMGKKN 0.87
37 RYPPRGKKN 0.88
38 KYPKKGRKN 0.89
39 RYPPKGHKN 0.89
40 RYPPMFHKN 0.9
41 KYPKMFRKN 0.9
42 HYPKKGRKN 0.91
43 RYPRRGRKN 0.91
44 KYPKMGKKN 0.92
45 HYPKMFRKN 0.92
46 HYPKMGKKN 0.94
47 RYPRMGHKN 0.95
48 KYPKRGRKN 0.96
49 RYPPRGHKN 0.96
50 KYPPKFRKN 0.97
51 HYPKRGRKN 0.98
52 KYPPKGKKN 0.99
53 HYPPKFRKN 0.99
54 KYPPMFKKN 1.0
55 KYPKMGHKN 1.0
56 HYPPKGKKN 1.01
57 HYPKMGHKN 1.02
58 HYPPMFKKN 1.02
59 KYPRKGRKN 1.02
60 KYPRMFRKN 1.03
61 HYPRKGRKN 1.04
62 KYPPRFRKN 1.04
63 HYPRMFRKN 1.05
64 KYPRMGKKN 1.05
65 HYPPRFRKN 1.06
66 KYPPRGKKN 1.06
67 HYPRMGKKN 1.07
68 KYPPKGHKN 1.07
69 HYPPRGKKN 1.08
70 KYPPMFHKN 1.08
71 HYPPKGHKN 1.09
72 KYPRRGRKN 1.09
73 HYPPMFHKN 1.1
74 RYPKKFRKN 1.11
75 HYPRRGRKN 1.11
76 KYPRMGHKN 1.13
77 RYPKKGKKN 1.13
78 KYPPRGHKN 1.14
79 RYPKMFKKN 1.14
80 HYPRMGHKN 1.15
81 HYPPRGHKN 1.16
82 RYPKRFRKN 1.18
83 RYPKRGKKN 1.2
84 RYPKKGHKN 1.21
85 RYPPKFKKN 1.21
86 RYPKMFHKN 1.22
87 RYPRKFRKN 1.24
88 RYPRKGKKN 1.26
89 RYPRMFKKN 1.27
90 RYPPRFKKN 1.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RYPPMGRKN

2.69

-9.16

-6.47
2 RYPKMGKKN

2.79

-9.25

-6.46
3 KYPPMGKKN

2.64

-8.99

-6.35
4 HYPPMGHKN

2.66

-8.91

-6.25
5 HYPPMGRKN

2.87

-9.09

-6.22
6 KYPRMGRKN

2.73

-8.88

-6.15
7 RYPKMGRKN

2.78

-8.82

-6.04
8 KYPPMGRKN

2.79

-8.4

-5.61
9 RYPPMGHKN

2.5

-7.9

-5.4
10 RYPRMGRKN

2.74

-8.09

-5.35
11 KYPPMGHKN

3.07

-8.39

-5.32
12 RYPKKGRKN

2.87

-8.11

-5.24
13 HYPPRGRKN

3.85

-8.88

-5.03
14 HYPKMGRKN

3.59

-8.48

-4.89
15 RYPPMGKKN

2.72

-7.59

-4.87
16 KYPPKGRKN

3.06

-7.92

-4.86
17 KYPKMGRKN

2.72

-7.57

-4.85
18 RYPPKGKKN

2.63

-7.44

-4.81
19 KYPPMFRKN

4.71

-9.48

-4.77
20 HYPPMGKKN

3.0

-7.67

-4.67
21 HYPPMFRKN

4.72

-9.36

-4.64
22 RYPKRGRKN

3.06

-7.62

-4.56
23 HYPRMGRKN

3.22

-7.47

-4.25
24 RYPPKGRKN

2.89

-6.99

-4.1
25 KYPPRGRKN

3.18

-7.26

-4.08
26 RYPPKFRKN

4.63

-8.64

-4.01
27 RYPKMFRKN

4.54

-8.34

-3.8
28 HYPPKGRKN

2.79

-6.53

-3.74
29 RYPPRGRKN

3.13

-6.68

-3.55
30 RYPPMFRKN

4.6

-7.29

-2.69

 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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