Predicted ligand sequences


ADAN-name: 2EU02.PDB (view again the scoring matrix)

PDB name: [2EU0.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A D y E P P
position 1 2 3 4 5 6
poly-Ala
A
A
y
 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 27.980 ΔGbinding 0.660
TOTAL
 28.640
Backbone Hb -0.980 Cis_bond 0.000
Sidechain Hb -2.530 Torsional clash 0.390
Van der Waals -5.980 Backbone clash 2.680
Electrostatics -3.470 Helix dipole -0.230
Solvation Polar 9.620 Water bridges -0.670
Solvation Hyd -7.030 Disulfide 0.000
VdW clashes 7.390 Electrost. Kon -2.860
Entropy sc 5.020 Part.cov.bonds 0.000
Entropy mc

1.990

 ΔGstability

224.940
       

Predicted ligand sequences for template [2EU02.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).
 
  2EU02.PDB  

(data)
# Predicted Sequences Value Calculate
1 yyGDGG 0.0
2 yyGDsG 0.19
3 yyGDEG 0.23
4 yyGDDG 0.23
5 yyGDPG 0.23
6 DyGDGG 0.33
7 syGDGG 0.38
8 PyGDGG 0.39
9 EyGDGG 0.41
10 DyGDsG 0.52
11 DyGDEG 0.56
12 DyGDDG 0.56
13 DyGDPG 0.56
14 syGDsG 0.57
15 PyGDsG 0.58
16 EyGDsG 0.6
17 syGDEG 0.61
18 syGDDG 0.61
19 syGDPG 0.61
20 PyGDEG 0.62
21 PyGDPG 0.62
22 PyGDDG 0.62
23 EyGDEG 0.64
24 EyGDPG 0.64
25 EyGDDG 0.64
26 yyGGGG 0.92
27 yyGGsG 1.12
28 yyGGPG 1.15
29 yyGGEG 1.16
30 yyGGDG 1.16
31 DyGGGG 1.25
32 ysGDGG 1.28
33 yyGEGG 1.29
34 syGGGG 1.3
35 PyGGGG 1.31
36 EyGGGG 1.33
37 DyGGsG 1.45
38 ysGDsG 1.47
39 DyGGPG 1.48
40 yyGEsG 1.48
41 DyGGEG 1.49
42 DyGGDG 1.49
43 syGGsG 1.5
44 ysGDDG 1.51
45 ysGDEG 1.51
46 ysGDPG 1.51
47 PyGGsG 1.51
48 yyGEPG 1.52
49 yyGEEG 1.52
50 yyGEDG 1.52
51 syGGPG 1.53
52 EyGGsG 1.53
53 syGGDG 1.54
54 syGGEG 1.54
55 PyGGPG 1.54
56 PyGGDG 1.55
57 PyGGEG 1.55
58 EyGGPG 1.56
59 EyGGDG 1.57
60 EyGGEG 1.57
61 DsGDGG 1.61
62 DyGEGG 1.62
63 ssGDGG 1.66
64 PsGDGG 1.67
65 syGEGG 1.67
66 PyGEGG 1.68
67 EsGDGG 1.69
68 EyGEGG 1.7
69 DsGDsG 1.8
70 DyGEsG 1.81
71 DsGDDG 1.84
72 DsGDEG 1.84
73 DsGDPG 1.84
74 DyGEDG 1.85
75 DyGEPG 1.85
76 ssGDsG 1.85
77 DyGEEG 1.85
78 syGEsG 1.86
79 PsGDsG 1.86
80 PyGEsG 1.87
81 EsGDsG 1.88
82 EyGEsG 1.89
83 ssGDPG 1.89
84 ssGDEG 1.89
85 ssGDDG 1.89
86 PsGDEG 1.9
87 syGEDG 1.9
88 syGEEG 1.9
89 syGEPG 1.9
90 PsGDPG 1.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 syGDGG

12.02

-1.31

10.71
2 PyGDsG

12.21

-1.23

10.98
3 EyGDsG

12.76

-1.16

11.6
4 syGDEG

11.71

0.26

11.97
5 DyGDEG

11.82

0.28

12.1
6 PyGDEG

12.08

0.03

12.11
7 yyGDEG

11.74

0.42

12.16
8 EyGDGG

11.93

0.3

12.23
9 syGDPG

12.51

-0.26

12.25
10 syGDsG

11.54

0.73

12.27
11 DyGDGG

11.77

0.59

12.36
12 yyGGsG

11.38

1.08

12.46
13 yyGDGG

12.68

-0.16

12.52
14 DyGDPG

12.33

0.33

12.66
15 yyGDsG

12.18

0.49

12.67
16 syGDDG

11.56

1.14

12.7
17 PyGDPG

12.11

0.63

12.74
18 yyGGPG

11.61

1.14

12.75
19 DyGDsG

12.29

0.53

12.82
20 PyGDGG

12.25

0.57

12.82
21 yyGDDG

11.31

1.66

12.97
22 yyGGDG

11.8

1.3

13.1
23 PyGDDG

12.65

0.5

13.15
24 EyGDEG

13.05

0.38

13.43
25 EyGDDG

12.26

1.27

13.53
26 yyGDPG

12.5

1.15

13.65
27 EyGDPG

11.72

1.98

13.7
28 DyGDDG

13.68

0.82

14.5
29 yyGGGG

13.42

1.51

14.93
30 yyGGEG

13.17

1.9

15.07

 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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