Predicted ligand sequences


ADAN-name: 2DJY2.PDB (view again the scoring matrix)

PDB name: [2DJY.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G P L G S E L E S P P P P Y S R Y P M D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
G
A
 A G
A
A
A
 A
A
 A
A
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 19.344 ΔGbinding 9.481
TOTAL
 28.825
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -2.413 Torsional clash 2.031
Van der Waals -10.466 Backbone clash 2.393
Electrostatics -0.388 Helix dipole 0.000
Solvation Polar 9.475 Water bridges -0.105
Solvation Hyd -14.471 Disulfide 0.000
VdW clashes 18.136 Electrost. Kon -0.666
Entropy sc 2.312 Part.cov.bonds 0.000
Entropy mc

6.671

 ΔGstability

83.399
       

Predicted ligand sequences for template [2DJY2.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).
 
  2DJY2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WsWIFyyspNNGGGGNsSSY 0.0
2 WsWIIyyspNNGGGGNsSSY 0.01
3 WsPIFyyspNNGGGGNsSSY 0.01
4 WsWIFyyspNNGGGGGsSSY 0.02
5 WsWIFyyDpNNGGGGNsSSY 0.02
6 WsWpIyyspNNGGGGNsSSY 0.02
7 WsPpFyyspNNGGGGNsSSY 0.02
8 WsPIIyyspNNGGGGNsSSY 0.02
9 WsWIyyyspNNGGGGNsSSY 0.02
10 WsWpFyyspNNGGGGNsSSY 0.02
11 WsDIFyyspNNGGGGNsSSY 0.02
12 FsWIFyyspNNGGGGNsSSY 0.02
13 WsPIFyyDpNNGGGGNsSSY 0.03
14 WsWIFyWspNNGGGGNsSSY 0.03
15 WsPIyyyspNNGGGGNsSSY 0.03
16 WsWpyyyspNNGGGGNsSSY 0.03
17 WsWIIyyDpNNGGGGNsSSY 0.03
18 WsWIFyyspNNGGGGNsSGY 0.03
19 WsPIFyyspNNGGGGGsSSY 0.03
20 WsDpFyyspNNGGGGNsSSY 0.03
21 FsWIIyyspNNGGGGNsSSY 0.03
22 WsWIFyyspMNGGGGNsSSY 0.03
23 WsDIIyyspNNGGGGNsSSY 0.03
24 FsPIFyyspNNGGGGNsSSY 0.03
25 WsWIIyyspNNGGGGGsSSY 0.03
26 WsPpIyyspNNGGGGNsSSY 0.03
27 WsPpyyyspNNGGGGNsSSY 0.04
28 WsWIFyyDpNNGGGGGsSSY 0.04
29 WsWIIyyspNNGGGGNsSGY 0.04
30 WsWIyyyspMNGGGGNsSSY 0.04
31 WsPIFyyspNNGGGGNsSGY 0.04
32 FsWIyyyspNNGGGGNsSSY 0.04
33 WsPIIyyDpNNGGGGNsSSY 0.04
34 WsPIyyyDpNNGGGGNsSSY 0.04
35 WsDIFyWspNNGGGGNsSSY 0.04
36 WsWpFyWspNNGGGGNsSSY 0.04
37 WsPIFyyspMNGGGGNsSSY 0.04
38 WsDIFyyDpNNGGGGNsSSY 0.04
39 FsWpFyyspNNGGGGNsSSY 0.04
40 FsWIFyyDpNNGGGGNsSSY 0.04
41 WsPIIyyspNNGGGGGsSSY 0.04
42 WsPIFyWspNNGGGGNsSSY 0.04
43 WsWpIyyDpNNGGGGNsSSY 0.04
44 WsWpFyyDpNNGGGGNsSSY 0.04
45 WsWpFyyspMNGGGGNsSSY 0.04
46 WsDIyyyspNNGGGGNsSSY 0.04
47 WsWIyyyspNNGGGGGsSSY 0.04
48 WsDIIyyDpNNGGGGNsSSY 0.04
49 WsWpFyyspNNGGGGGsSSY 0.04
50 FsDIFyyspNNGGGGNsSSY 0.04
51 WsPIIyyspMNGGGGNsSSY 0.04
52 WsDpIyyspNNGGGGNsSSY 0.04
53 WsWIyyWspNNGGGGNsSSY 0.04
54 FsPIIyyspNNGGGGNsSSY 0.04
55 WsDIFyyspNNGGGGGsSSY 0.04
56 WsWIIyWspNNGGGGNsSSY 0.04
57 WsDIFyyspMNGGGGNsSSY 0.04
58 WsWIyyyDpNNGGGGNsSSY 0.04
59 WsPpFyyDpNNGGGGNsSSY 0.04
60 WsWIIyyspMNGGGGNsSSY 0.04
61 WsPIIyWspNNGGGGNsSSY 0.04
62 WsWIIyyDpNNGGGGGsSSY 0.05
63 WsPIyyWspNNGGGGNsSSY 0.05
64 WsWpIyyspMNGGGGNsSSY 0.05
65 WsPIyyyspNNGGGGGsSSY 0.05
66 WsWIFyyssNNGGGGNsSSY 0.05
67 WsDIFyyspNNGGGGNsSGY 0.05
68 WsWIyyyspNNGGGGNsSGY 0.05
69 WsPIyyyspMNGGGGNsSSY 0.05
70 WsWIFyyDpMNGGGGNsSSY 0.05
71 WsPIFyWDpNNGGGGNsSSY 0.05
72 WsDpyyyspNNGGGGNsSSY 0.05
73 WsPIIyyspNNGGGGNsSGY 0.05
74 WsWIFyWDpNNGGGGNsSSY 0.05
75 FsWIFyWspNNGGGGNsSSY 0.05
76 WsWpIyyspNNGGGGGsSSY 0.05
77 WsWIIyWDpNNGGGGNsSSY 0.05
78 WsWIIyyDpMNGGGGNsSSY 0.05
79 WsPIFyyDpMNGGGGNsSSY 0.05
80 WsDIyyyDpNNGGGGNsSSY 0.05
81 WsDIIyWspNNGGGGNsSSY 0.05
82 WsPIFyyDpNNGGGGGsSSY 0.05
83 WsPpFyWspNNGGGGNsSSY 0.05
84 FsPpFyyspNNGGGGNsSSY 0.05
85 FsWpIyyspNNGGGGNsSSY 0.05
86 WsDIIyyspNNGGGGGsSSY 0.05
87 FsWIIyyDpNNGGGGNsSSY 0.05
88 WsWIFyWspNNGGGGGsSSY 0.05
89 FsPIFyyDpNNGGGGNsSSY 0.05
90 FsDIIyyspNNGGGGNsSSY 0.05
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WsWIIyyspNNGGGGNsSSY

10.79

-5.33

5.46
2 FsWIIyyspNNGGGGNsSSY

10.54

-5.08

5.46
3 WsWIIyyDpNNGGGGNsSSY

10.81

-5.03

5.78
4 WsDIIyyspNNGGGGNsSSY

10.56

-4.74

5.82
5 WsWpFyyspNNGGGGNsSSY

10.8

-4.67

6.13
6 FsPIFyyspNNGGGGNsSSY

10.36

-4.21

6.15
7 WsPIFyyspNNGGGGGsSSY

10.04

-3.88

6.16
8 WsPpIyyspNNGGGGNsSSY

10.73

-4.52

6.21
9 WsPIIyyspNNGGGGNsSSY

10.73

-4.5

6.23
10 WsWIIyyspNNGGGGNsSGY

10.29

-3.97

6.32
11 WsWIIyyspNNGGGGGsSSY

10.4

-3.83

6.57
12 WsPIFyyspNNGGGGNsSSY

12.91

-6.3

6.61
13 WsDIFyyspNNGGGGNsSSY

10.75

-4.14

6.61
14 WsPIFyyDpNNGGGGNsSSY

11.79

-4.83

6.96
15 WsWIFyyDpNNGGGGNsSSY

12.04

-4.94

7.1
16 FsWIFyyspNNGGGGNsSSY

11.03

-3.54

7.49
17 WsWIyyyspNNGGGGNsSSY

12.17

-4.61

7.56
18 WsPpyyyspNNGGGGNsSSY

12.93

-5.21

7.72
19 WsWIFyyspNNGGGGGsSSY

10.79

-2.89

7.9
20 WsPIyyyspNNGGGGNsSSY

12.32

-4.38

7.94
21 WsPpFyyspNNGGGGNsSSY

12.62

-4.41

8.21
22 WsWIFyyDpNNGGGGGsSSY

12.1

-3.88

8.22
23 WsWIFyyspNNGGGGNsSSY

13.04

-4.73

8.31
24 WsWIyyyspMNGGGGNsSSY

13.14

-4.76

8.38
25 WsWpyyyspNNGGGGNsSSY

12.85

-4.35

8.5
26 WsWIFyyspMNGGGGNsSSY

12.7

-4.15

8.55
27 WsWIFyWspNNGGGGNsSSY

12.66

-3.64

9.02
28 WsWIFyyspNNGGGGNsSGY

12.83

-3.42

9.41
29 WsDpFyyspNNGGGGNsSSY

12.71

-3.06

9.65
30 WsWpIyyspNNGGGGNsSSY

14.97

-3.14

11.83

 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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