Predicted ligand sequences


ADAN-name: 1B9X2.PDB (view again the scoring matrix)

PDB name: [1B9X.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E G Q A T H T G P K G V I N D W R K F K
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
G
A
A
A
A
A
G
 A
A
G
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 9.889 ΔGbinding -32.892
TOTAL
 -23.003
Backbone Hb -6.175 Cis_bond 0.000
Sidechain Hb -10.088 Torsional clash 1.711
Van der Waals -16.301 Backbone clash 1.088
Electrostatics -6.931 Helix dipole -0.038
Solvation Polar 20.842 Water bridges -0.104
Solvation Hyd -23.976 Disulfide 0.000
VdW clashes 1.818 Electrost. Kon -3.151
Entropy sc 6.353 Part.cov.bonds 0.000
Entropy mc

3.146

 ΔGstability

88.067
       

Predicted ligand sequences for template [1B9X2.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).
 
  1B9X2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGRSKRMRPRGVRKDFRRFG 0.0
2 RGRSKRMRPRGVRRDFRRFG 0.02
3 RGRSKRMRPRGVRKDFRRyG 0.02
4 RGRSKRMRPRGVRKDFHRFG 0.04
5 RGRSKRMRPRGVRRDFRRyG 0.04
6 RGRSKRMRPRGVRKDFGRFG 0.04
7 RGRSKRMRPRGVRKDFHRyG 0.05
8 RGRSKRMRPRGVRKDFGRyG 0.06
9 RGRSKRMRPRGVRRDFHRFG 0.06
10 RGRSKRMRPRGVRRDFGRFG 0.07
11 RGRSKRMRPRGVRKDFRRFA 0.08
12 RGRSKRMRPRGVRRDFHRyG 0.08
13 RGRSKRMRPRGVRKDFRRFS 0.09
14 RGRSKRMRPRGVRRDFGRyG 0.09
15 RGRSKRMRPRGVRKDFRRYG 0.1
16 RGRSKRMRPRGVRRDFRRFA 0.1
17 RGRSKRMRPRGVRKDFRRyA 0.1
18 RGRSKRMRPRGVRRDFRRFS 0.11
19 RGRSKRMRPRGVRKDFHRFA 0.11
20 RGRSKRMRPRGVRKDFRSFG 0.11
21 RGRSKRMRPRGVRKDFRRyS 0.11
22 RGRSKRMRPRGVRRDFRRYG 0.12
23 RGRSKRMRPRGVRRDFRRyA 0.12
24 RGRSKRMRPRGVRKDFGRFA 0.12
25 RGRSKRMRPRGVRKDFHRFS 0.13
26 RGRSKRMRPRGVRKDFRSyG 0.13
27 RGRSKRMRPRGVRKDFHRyA 0.13
28 RGRSKRMRPRGVRRDFRRyS 0.13
29 RGRSKRMRPRGVRKDFGRFS 0.13
30 RGRSKRMRPRGVRKDFGRyA 0.14
31 RGRSKRMRPRGVRKDFGRYG 0.14
32 RGRSKRMRPRGVRKDFHRyS 0.14
33 RGRSKRMRPRGVRKDFHRYG 0.14
34 RGRSKRMRPRGVRRDFHRFA 0.14
35 RGRSKRMRPRGVRRDFRSFG 0.14
36 RGRSKRMRPRGVRKDFGRyS 0.15
37 RGRSKRMRPRGVRRDFHRFS 0.15
38 RGRSKRMRPRGVRKDFHSFG 0.15
39 RGRSKRMRPRGVRRDFGRFA 0.15
40 RGRSKRMRPRGVRRDFRSyG 0.15
41 RGRSKRMRPRGVRKDFGSFG 0.16
42 RGRSKRMRPRGVRRDFHRyA 0.16
43 RGRSKRMRPRGVRRDFGRFS 0.16
44 RGRSKRMRPRGVRRDFGRyA 0.16
45 RGRSKRMRPRGVRRDFHRYG 0.16
46 RGRSKRMRPRGVRKDFRHFG 0.17
47 RGRSKRMRPRGVRRDFHRyS 0.17
48 RGRSKRMRPRGVRKDFGSyG 0.17
49 RGRSKRMRPRGVRRDFHSFG 0.17
50 RGRSKRMRPRGVRRDFGRyS 0.17
51 RGRSKRMRPRGVRKDFHSyG 0.17
52 RGRSKRKRPRGVRKDFRRFG 0.17
53 RGRSKRMRPRGVRRDFGRYG 0.17
54 RGRSKRMRPRGVRKDFRRYA 0.18
55 RGRSKRMRPRGVRKDFRHyG 0.18
56 RGRSKRMRPRGVRRDFGSFG 0.18
57 RGRSKRMRPRGVRKDFRRYS 0.19
58 RGRSKRMRPRGVRKDFRSFA 0.19
59 RGRSKRKRPRGVRKDFRRyG 0.19
60 RGRSKRMRPRGVRRDFRHFG 0.19
61 RGRSKRMRPRGVRRDFHSyG 0.19
62 RGRSKRKRPRGVRRDFRRFG 0.19
63 RGRSKRMRPRGVRKDFHHFG 0.2
64 RGRSKRMRPRGVRRDFGSyG 0.2
65 RGRSKRMRPRGVRRDFRRYA 0.2
66 RGRSKRMRPRGVRKDFRSFS 0.2
67 RGRSKRMRPRGVRKDFGHFG 0.21
68 RGRSKRMRPRGVRKDFRSyA 0.21
69 RGRSKRMRPRGVRRDFRHyG 0.21
70 RGRSKRKRPRGVRKDFHRFG 0.21
71 RGRSKRKRPRGVRRDFRRyG 0.21
72 RGRSKRMRPRGVRRDFRRYS 0.21
73 RGRSKRMRPRGVRKDFRSYG 0.21
74 RGRSKRKRPRGVRKDFGRFG 0.21
75 RGRSKRMRPRGVRRDFRSFA 0.21
76 RGRSKRKRPRGVRKDFHRyG 0.22
77 RGRSKRMRPRGVRKDFRSyS 0.22
78 RGRSHRMRPRGVRKDFRRFG 0.22
79 RGRSKRMRPRGVRKDFHRYA 0.22
80 RGRSKRMRPRGVRKDFGRYA 0.22
81 RGRSKRMRPRGVRKDFHHyG 0.22
82 RGRSKRMRPRGVRRDFHHFG 0.23
83 RGRSKRMRPRGVRRDFGHFG 0.23
84 RGRSKRMRPRGVRKDFGHyG 0.23
85 RGRSKRMRPRGVRKDFGSFA 0.23
86 RGRSKRMRPRGVRKDFHSFA 0.23
87 RGRSKRMRPRGVRKDFHRYS 0.23
88 RGRSKRKRPRGVRRDFHRFG 0.23
89 RGRSKRKRPRGVRKDFGRyG 0.23
90 RGRSKRMRPRGVRRDFRSFS 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGRSKRMRPRGVRKDFGRyA

12.42

-29.3

-16.88
2 RGRSKRMRPRGVRRDFRRFA

15.33

-32.2

-16.87
3 RGRSKRMRPRGVRRDFRRyG

12.35

-29.04

-16.69
4 RGRSKRMRPRGVRRDFGRyG

12.08

-28.47

-16.39
5 RGRSKRMRPRGVRKDFHRFS

12.38

-28.73

-16.35
6 RGRSKRMRPRGVRRDFRRyS

13.51

-29.82

-16.31
7 RGRSKRMRPRGVRRDFGRFG

11.91

-28.22

-16.31
8 RGRSKRMRPRGVRKDFHRFG

12.19

-28.33

-16.14
9 RGRSKRMRPRGVRKDFHRFA

12.32

-28.35

-16.03
10 RGRSKRMRPRGVRKDFRSFG

12.52

-28.4

-15.88
11 RGRSKRMRPRGVRKDFRRFS

12.34

-28.03

-15.69
12 RGRSKRMRPRGVRKDFRRFG

12.76

-28.44

-15.68
13 RGRSKRMRPRGVRKDFGRyG

12.8

-28.4

-15.6
14 RGRSKRMRPRGVRRDFRRFG

12.71

-28.22

-15.51
15 RGRSKRMRPRGVRKDFRRFA

13.45

-28.87

-15.42
16 RGRSKRMRPRGVRKDFGRFS

12.5

-27.76

-15.26
17 RGRSKRMRPRGVRRDFRRFS

12.57

-27.68

-15.11
18 RGRSKRMRPRGVRKDFRSyG

14.09

-29.19

-15.1
19 RGRSKRMRPRGVRKDFGRFG

12.03

-26.94

-14.91
20 RGRSKRMRPRGVRRDFRRyA

12.53

-27.35

-14.82
21 RGRSKRMRPRGVRKDFRRyA

12.62

-27.38

-14.76
22 RGRSKRMRPRGVRKDFRRyG

12.2

-26.79

-14.59
23 RGRSKRMRPRGVRKDFRRyS

14.73

-29.24

-14.51
24 RGRSKRMRPRGVRRDFHRFG

12.37

-26.66

-14.29
25 RGRSKRMRPRGVRKDFHRyA

12.25

-25.9

-13.65
26 RGRSKRMRPRGVRKDFRRYG

12.75

-26.31

-13.56
27 RGRSKRMRPRGVRKDFHRyG

14.89

-28.34

-13.45
28 RGRSKRMRPRGVRKDFGRFA

14.84

-28.07

-13.23
29 RGRSKRMRPRGVRRDFRRYG

12.69

-25.64

-12.95
30 RGRSKRMRPRGVRRDFHRyG

12.14

-24.71

-12.57

 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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