Predicted ligand sequences


ADAN-name: 1J4K2.PDB (view again the scoring matrix)

PDB name: [1J4K.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E D I y Y L D
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 6.574 ΔGbinding -2.157
TOTAL
 4.417
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -1.262 Torsional clash 0.246
Van der Waals -5.781 Backbone clash 0.979
Electrostatics -1.600 Helix dipole 0.000
Solvation Polar 8.654 Water bridges 0.151
Solvation Hyd -6.648 Disulfide 0.000
VdW clashes 1.059 Electrost. Kon -1.851
Entropy sc 2.442 Part.cov.bonds 0.000
Entropy mc

3.321

 ΔGstability

200.862
       

Predicted ligand sequences for template [1J4K2.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).
 
  1J4K2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FEDysGP 0.0
2 FEDyDGP 0.03
3 yEDysGP 0.04
4 FEIysGP 0.04
5 FEWysGP 0.04
6 FEDyGGP 0.05
7 FEIyDGP 0.07
8 yEDyDGP 0.07
9 FEWyDGP 0.07
10 FEWyGGP 0.08
11 yEWysGP 0.08
12 yEIysGP 0.08
13 FEIyGGP 0.09
14 yEDyGGP 0.09
15 yEWyDGP 0.11
16 yEIyDGP 0.11
17 FEDysGW 0.12
18 yEWyGGP 0.13
19 yEIyGGP 0.13
20 FEDyDGW 0.15
21 yEDysGW 0.16
22 MEDysGP 0.16
23 FEWysGW 0.16
24 FEIysGW 0.16
25 FEDysGA 0.17
26 FEDyGGW 0.17
27 FEDyDGA 0.19
28 FEIyDGW 0.19
29 FEWyDGW 0.19
30 yEDyDGW 0.19
31 MEDyDGP 0.19
32 MEWysGP 0.2
33 yEWysGW 0.2
34 MEIysGP 0.2
35 yEDysGA 0.21
36 FEWyGGW 0.21
37 FEIyGGW 0.21
38 FEDyGGA 0.21
39 FEIysGA 0.21
40 yEIysGW 0.21
41 MEDyGGP 0.21
42 yEDyGGW 0.21
43 FEWysGA 0.21
44 MEWyDGP 0.22
45 yEIyDGW 0.23
46 yEWyDGW 0.23
47 FEWyDGA 0.23
48 MEIyDGP 0.23
49 FEIyDGA 0.24
50 yEDyDGA 0.24
51 MEWyGGP 0.24
52 yEWyGGW 0.25
53 yEWysGA 0.25
54 yEIyGGW 0.25
55 FEWyGGA 0.25
56 MEIyGGP 0.25
57 yEIysGA 0.25
58 FEIyGGA 0.26
59 yEDyGGA 0.26
60 yEWyDGA 0.27
61 MEDysGW 0.28
62 yEIyDGA 0.28
63 yEWyGGA 0.29
64 yEIyGGA 0.3
65 MEDyDGW 0.31
66 MEWysGW 0.32
67 MEIysGW 0.32
68 MEDysGA 0.33
69 MEDyGGW 0.33
70 MEWyDGW 0.35
71 MEDyDGA 0.35
72 MEIyDGW 0.35
73 MEWysGA 0.36
74 MEWyGGW 0.37
75 MEIysGA 0.37
76 MEDyGGA 0.37
77 MEIyGGW 0.37
78 MEWyDGA 0.39
79 MEIyDGA 0.4
80 MEWyGGA 0.41
81 MEIyGGA 0.42
82 FEDysPP 0.48
83 FEDyDPP 0.51
84 FEWysPP 0.52
85 yEDysPP 0.52
86 FEDyGPP 0.53
87 FEIysPP 0.53
88 yEDyDPP 0.55
89 FEIyDPP 0.55
90 FEWyDPP 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FEWyDGW

0.88

-3.03

-2.15
2 yEDyDGW

1.08

-2.76

-1.68
3 MEDysGP

0.92

-2.51

-1.59
4 FEIyDGW

0.7

-2.06

-1.36
5 FEDyGGW

1.09

-2.31

-1.22
6 FEDyDGW

1.03

-2.17

-1.14
7 FEDysGW

0.91

-2.03

-1.12
8 FEIysGW

0.72

-1.82

-1.1
9 yEWyGGP

0.85

-1.88

-1.03
10 FEDyDGA

1.02

-1.99

-0.97
11 FEIyGGP

0.75

-1.67

-0.92
12 yEIysGP

0.97

-1.86

-0.89
13 FEDyDGP

0.74

-1.62

-0.88
14 FEWysGP

0.79

-1.6

-0.81
15 FEDysGP

0.92

-1.68

-0.76
16 yEDyDGP

0.76

-1.39

-0.63
17 yEIyGGP

1.8

-2.36

-0.56
18 yEIyDGP

2.01

-2.53

-0.52
19 FEWysGW

1.1

-1.61

-0.51
20 yEDysGP

0.98

-1.45

-0.47
21 FEWyGGP

0.72

-1.17

-0.45
22 yEDyGGP

1.15

-1.46

-0.31
23 FEDysGA

1.14

-1.29

-0.15
24 FEIysGP

0.88

-1.02

-0.14
25 yEWysGP

1.24

-1.26

-0.02
26 FEWyDGP

1.01

-0.55

0.46
27 FEDyGGP

3.1

-1.76

1.34
28 yEWyDGP

3.41

-1.99

1.42
29 yEDysGW

3.53

-1.71

1.82
30 FEIyDGP

3.52

-1.33

2.19

 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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