Predicted ligand sequences


ADAN-name: 1AOT2.PDB (view again the scoring matrix)

PDB name: [1AOT.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E P Q y E E I P I Y L
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
A
A
 y
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 32.748 ΔGbinding -3.900
TOTAL
 28.848
Backbone Hb -0.650 Cis_bond 0.000
Sidechain Hb -4.930 Torsional clash 0.640
Van der Waals -7.520 Backbone clash 0.800
Electrostatics -3.570 Helix dipole 0.000
Solvation Polar 11.190 Water bridges -0.990
Solvation Hyd -9.160 Disulfide 0.000
VdW clashes 5.370 Electrost. Kon -2.490
Entropy sc 4.690 Part.cov.bonds 0.000
Entropy mc

3.530

 ΔGstability

359.550
       

Predicted ligand sequences for template [1AOT2.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).
 
  1AOT2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yDsyGYIyGyy 0.0
2 yDsyGYIyGyE 0.02
3 yDsyGYIyGyD 0.03
4 yysyGYIyGyy 0.03
5 yDsyGyIyGyy 0.03
6 yysyGYIyGyE 0.05
7 yDsyGyIyGyE 0.05
8 yysyGyIyGyy 0.06
9 ypsyGYIyGyy 0.06
10 yysyGYIyGyD 0.06
11 yDsyGyIyGyD 0.06
12 yysyGyIyGyE 0.08
13 ypsyGYIyGyE 0.08
14 yysyGyIyGyD 0.09
15 ypsyGYIyGyD 0.09
16 ypsyGyIyGyy 0.09
17 yDsyGYIyGsy 0.11
18 ypsyGyIyGyE 0.11
19 ypsyGyIyGyD 0.12
20 yDsyGYIyGsE 0.13
21 yDsyGYIyGsD 0.14
22 yDsyGyIyGsy 0.14
23 yysyGYIyGsy 0.14
24 yDsyGYIyGDy 0.15
25 yDsyGyIyGsE 0.16
26 yysyGYIyGsE 0.16
27 yysyGyIyGsy 0.17
28 yDsyGyIyGsD 0.17
29 yysyGYIyGsD 0.17
30 ypsyGYIyGsy 0.17
31 yDsyGYIyGDE 0.17
32 yDsyGyIyGDy 0.18
33 yDsyGYIyGDD 0.18
34 yysyGYIyGDy 0.18
35 yysyGyIyGsE 0.19
36 ypsyGYIyGsE 0.19
37 ypsyGYIyGsD 0.2
38 yysyGyIyGsD 0.2
39 yDsyGyIyGDE 0.2
40 ypsyGyIyGsy 0.2
41 yysyGYIyGDE 0.2
42 yysyGyIyGDy 0.21
43 ypsyGYIyGDy 0.21
44 yDsyGyIyGDD 0.21
45 yysyGYIyGDD 0.21
46 ypsyGyIyGsE 0.22
47 yysyGyIyGDE 0.23
48 ypsyGYIyGDE 0.23
49 ypsyGyIyGsD 0.23
50 yysyGyIyGDD 0.24
51 ypsyGyIyGDy 0.24
52 ypsyGYIyGDD 0.24
53 yDsMGYIyGyy 0.25
54 yDsDGYIyGyy 0.25
55 ypsyGyIyGDE 0.26
56 yysDGYIyGyy 0.27
57 ypsyGyIyGDD 0.27
58 yDsDGYIyGyE 0.27
59 yDsyGYIsGyy 0.27
60 yDsMGYIyGyE 0.27
61 yysMGYIyGyy 0.28
62 yDsMGYIyGyD 0.28
63 yDsDGyIyGyy 0.28
64 yDsDGYIyGyD 0.28
65 yDsMGyIyGyy 0.28
66 yysDGYIyGyE 0.29
67 yDsyGDIyGyy 0.29
68 yDsyGYIsGyE 0.29
69 yysDGYIyGyD 0.3
70 yysMGYIyGyE 0.3
71 ypsDGYIyGyy 0.3
72 yDsDGyIyGyE 0.3
73 yysyGYIsGyy 0.3
74 yDsyGYIsGyD 0.3
75 yDsyGyIsGyy 0.3
76 yDsMGyIyGyE 0.3
77 ypsMGYIyGyy 0.31
78 yysMGYIyGyD 0.31
79 yDsyGYIGGyy 0.31
80 yysDGyIyGyy 0.31
81 yDsDGyIyGyD 0.31
82 yDsMGyIyGyD 0.31
83 yysMGyIyGyy 0.31
84 yDsyGDIyGyE 0.32
85 yDsyGDIyGyD 0.32
86 yysyGDIyGyy 0.32
87 yysyGYIsGyE 0.32
88 yDsyGyIsGyE 0.32
89 ypsMGYIyGyE 0.33
90 yDsyGYIGGyE 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yDsyGyIyGyE

11.28

-6.35

4.93
2 yDsyGYIyGDy

11.77

-6.82

4.95
3 yDsyGYIyGsE

12.04

-7.03

5.01
4 ypsyGYIyGsy

12.26

-6.74

5.52
5 ypsyGYIyGyE

12.4

-6.59

5.81
6 ypsyGYIyGyy

12.21

-6.32

5.89
7 ypsyGYIyGyD

11.91

-5.73

6.18
8 yDsyGYIyGsD

12.54

-6.35

6.19
9 yDsyGYIyGyE

11.11

-4.84

6.27
10 yDsyGYIyGyD

12.34

-6.05

6.29
11 yDsyGYIyGsy

11.44

-3.84

7.6
12 yysyGYIyGyE

14.7

-6.38

8.32
13 yysyGYIyGyy

12.86

-4.51

8.35
14 yysyGyIyGyE

18.09

-9.21

8.88
15 yysyGYIyGyD

13.2

-4.22

8.98
16 ypsyGyIyGyy

16.9

-7.2

9.7
17 ypsyGyIyGyD

17.22

-7.32

9.9
18 yDsyGyIyGsy

18.07

-7.69

10.38
19 yDsyGyIyGyD

18.65

-7.66

10.99
20 yDsyGyIyGsD

18.01

-6.83

11.18
21 yDsyGyIyGyy

16.14

-4.9

11.24
22 yysyGYIyGsy

18.03

-6.2

11.83
23 yysyGyIyGyy

18.92

-6.82

12.1
24 ypsyGyIyGyE

20.27

-7.96

12.31
25 yysyGyIyGyD

19.53

-6.41

13.12
26 yDsyGYIyGyy

17.74

-4.56

13.18
27 yDsyGyIyGsE

21.57

-7.41

14.16
28 yysyGYIyGsD

19.25

-4.78

14.47
29 yysyGyIyGsy

22.65

-6.97

15.68
30 yysyGYIyGsE

26.21

-7.09

19.12

 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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