Predicted ligand sequences


ADAN-name: 1XH42.PDB (view again the scoring matrix)

PDB name: [1XH4.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
 A
A
A
 A
A
A
A
 A
G
A
A
G
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 8.041 ΔGbinding -31.300
TOTAL
 -23.259
Backbone Hb -5.213 Cis_bond 0.000
Sidechain Hb -13.625 Torsional clash 1.885
Van der Waals -18.432 Backbone clash 0.178
Electrostatics -12.917 Helix dipole 0.138
Solvation Polar 28.774 Water bridges -0.527
Solvation Hyd -22.397 Disulfide 0.000
VdW clashes 0.846 Electrost. Kon -5.452
Entropy sc 8.840 Part.cov.bonds 0.000
Entropy mc

6.779

 ΔGstability

-39.069
       

Predicted ligand sequences for template [1XH42.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).
 
  1XH42.PDB  

(data)
# Predicted Sequences Value Calculate
1 EFYyKRWRCNRMYRRRPFWD 0.0
2 DFYyKRWRCNRMYRRRPFWD 0.01
3 pFYyKRWRCNRMYRRRPFWD 0.03
4 EFYsKRWRCNRMYRRRPFWD 0.03
5 EFYpKRWRCNRMYRRRPFWD 0.03
6 DFYsKRWRCNRMYRRRPFWD 0.04
7 DFYpKRWRCNRMYRRRPFWD 0.04
8 EFYyKRWRANRMYRRRPFWD 0.05
9 EFYyLRWRCNRMYRRRPFWD 0.05
10 pFYsKRWRCNRMYRRRPFWD 0.06
11 DFYyLRWRCNRMYRRRPFWD 0.06
12 DFYyKRWRANRMYRRRPFWD 0.06
13 EFYsKRWRANRMYRRRPFWD 0.07
14 pFYpKRWRCNRMYRRRPFWD 0.07
15 EFYyKRWCCNRMYRRRPFWD 0.07
16 EFYyKRWICNRMYRRRPFWD 0.07
17 EFYpKRWRANRMYRRRPFWD 0.08
18 pFYyKRWRANRMYRRRPFWD 0.08
19 DFYyKRWICNRMYRRRPFWD 0.08
20 EFYsLRWRCNRMYRRRPFWD 0.08
21 DFYsKRWRANRMYRRRPFWD 0.08
22 EFYpLRWRCNRMYRRRPFWD 0.08
23 DFYyKRWCCNRMYRRRPFWD 0.08
24 DFYsLRWRCNRMYRRRPFWD 0.09
25 DFYpLRWRCNRMYRRRPFWD 0.09
26 DFYpKRWRANRMYRRRPFWD 0.09
27 pFYyLRWRCNRMYRRRPFWD 0.09
28 EFYpKRWCCNRMYRRRPFWD 0.1
29 EFYyMRWRCNRMYRRRPFWD 0.1
30 EFYsKRWCCNRMYRRRPFWD 0.1
31 EFYsKRWICNRMYRRRPFWD 0.1
32 EFYyLRWRANRMYRRRPFWD 0.1
33 DFYyMRWRCNRMYRRRPFWD 0.11
34 EFYpKRWICNRMYRRRPFWD 0.11
35 DFYsKRWCCNRMYRRRPFWD 0.11
36 pFYyKRWCCNRMYRRRPFWD 0.11
37 DFYpKRWICNRMYRRRPFWD 0.11
38 pFYsKRWRANRMYRRRPFWD 0.11
39 DFYsKRWICNRMYRRRPFWD 0.11
40 pFYyKRWICNRMYRRRPFWD 0.11
41 EFFyKRWRCNRMYRRRPFWD 0.11
42 DFYpKRWCCNRMYRRRPFWD 0.11
43 pFYsLRWRCNRMYRRRPFWD 0.11
44 pFYpKRWRANRMYRRRPFWD 0.11
45 DFYyLRWRANRMYRRRPFWD 0.11
46 pFYpLRWRCNRMYRRRPFWD 0.12
47 EFYyKRWCANRMYRRRPFWD 0.12
48 DFFyKRWRCNRMYRRRPFWD 0.12
49 EFYyKRWIANRMYRRRPFWD 0.12
50 DFYyKRWCANRMYRRRPFWD 0.13
51 EFYsLRWRANRMYRRRPFWD 0.13
52 EFYyKRWRCNRMYRRRPFWF 0.13
53 pFYsKRWCCNRMYRRRPFWD 0.13
54 EFYyLRWCCNRMYRRRPFWD 0.13
55 EFYpLRWRANRMYRRRPFWD 0.13
56 DFYyLRWCCNRMYRRRPFWD 0.13
57 EFYyLRWICNRMYRRRPFWD 0.13
58 DFYyKRWIANRMYRRRPFWD 0.13
59 pFYyLRWRANRMYRRRPFWD 0.13
60 EFYsMRWRCNRMYRRRPFWD 0.13
61 DFFsKRWRCNRMYRRRPFWD 0.14
62 pFYyMRWRCNRMYRRRPFWD 0.14
63 EFFpKRWRCNRMYRRRPFWD 0.14
64 DFYpLRWRANRMYRRRPFWD 0.14
65 pFYsKRWICNRMYRRRPFWD 0.14
66 pFYpKRWICNRMYRRRPFWD 0.14
67 EFYpMRWRCNRMYRRRPFWD 0.14
68 DFYyLRWICNRMYRRRPFWD 0.14
69 EFFsKRWRCNRMYRRRPFWD 0.14
70 pFFyKRWRCNRMYRRRPFWD 0.14
71 DFYyKRWRCNRMYRRRPFWF 0.14
72 DFYpMRWRCNRMYRRRPFWD 0.14
73 DFYsMRWRCNRMYRRRPFWD 0.14
74 DFYsLRWRANRMYRRRPFWD 0.14
75 pFYpKRWCCNRMYRRRPFWD 0.14
76 EFYyKRWRCNRMYRRRPFWy 0.15
77 EFYpKRWCANRMYRRRPFWD 0.15
78 EFYsLRWCCNRMYRRRPFWD 0.15
79 EFYpKRWIANRMYRRRPFWD 0.15
80 EFYsKRWIANRMYRRRPFWD 0.15
81 EFYyMRWRANRMYRRRPFWD 0.15
82 pFYyKRWCANRMYRRRPFWD 0.15
83 EFYsKRWCANRMYRRRPFWD 0.15
84 DFFpKRWRCNRMYRRRPFWD 0.15
85 DFYsKRWRCNRMYRRRPFWF 0.16
86 EFFyKRWRANRMYRRRPFWD 0.16
87 pFYsLRWRANRMYRRRPFWD 0.16
88 EFFyLRWRCNRMYRRRPFWD 0.16
89 DFYpKRWCANRMYRRRPFWD 0.16
90 DFYsLRWCCNRMYRRRPFWD 0.16
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DFYyKRWICNRMYRRRPFWD

6.66

-42.35

-35.69
2 DFYpKRWRCNRMYRRRPFWD

6.86

-41.01

-34.15
3 DFYsLRWRCNRMYRRRPFWD

6.47

-40.38

-33.91
4 DFYsKRWRCNRMYRRRPFWD

6.89

-40.32

-33.43
5 EFYyKRWICNRMYRRRPFWD

6.68

-40.0

-33.32
6 EFYpKRWRANRMYRRRPFWD

6.42

-39.26

-32.84
7 DFYpLRWRCNRMYRRRPFWD

6.85

-39.5

-32.65
8 EFYpKRWRCNRMYRRRPFWD

7.2

-39.56

-32.36
9 DFYyKRWRCNRMYRRRPFWD

6.33

-38.49

-32.16
10 EFYsKRWCCNRMYRRRPFWD

6.24

-38.36

-32.12
11 DFYyKRWCCNRMYRRRPFWD

6.1

-38.21

-32.11
12 EFYsKRWRANRMYRRRPFWD

6.09

-38.15

-32.06
13 DFYyKRWRANRMYRRRPFWD

7.66

-38.33

-30.67
14 DFYsKRWRANRMYRRRPFWD

6.86

-37.52

-30.66
15 EFYyMRWRCNRMYRRRPFWD

6.95

-37.56

-30.61
16 DFYpKRWRANRMYRRRPFWD

6.17

-36.64

-30.47
17 EFYyKRWRCNRMYRRRPFWD

7.14

-37.49

-30.35
18 DFYyLRWRCNRMYRRRPFWD

7.04

-37.27

-30.23
19 EFYyKRWRANRMYRRRPFWD

6.78

-36.88

-30.1
20 EFYpLRWRCNRMYRRRPFWD

6.77

-36.86

-30.09
21 pFYpKRWRCNRMYRRRPFWD

5.98

-36.01

-30.03
22 EFYsLRWRCNRMYRRRPFWD

6.27

-36.22

-29.95
23 EFYpKRWCCNRMYRRRPFWD

6.5

-36.14

-29.64
24 EFYsKRWRCNRMYRRRPFWD

6.24

-35.2

-28.96
25 pFYyKRWRCNRMYRRRPFWD

7.06

-35.87

-28.81
26 pFYsKRWRCNRMYRRRPFWD

7.23

-35.75

-28.52
27 EFYyLRWRCNRMYRRRPFWD

7.5

-35.64

-28.14
28 EFYyKRWCCNRMYRRRPFWD

6.74

-34.27

-27.53
29 pFYyKRWRANRMYRRRPFWD

11.33

-38.71

-27.38
30 pFYyLRWRCNRMYRRRPFWD

11.55

-37.01

-25.46

 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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