Predicted ligand sequences


ADAN-name: 1AOU2.PDB (view again the scoring matrix)

PDB name: [1AOU.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 24.100 ΔGbinding -2.580
TOTAL
 21.520
Backbone Hb -0.730 Cis_bond 0.000
Sidechain Hb -6.450 Torsional clash 1.990
Van der Waals -7.870 Backbone clash 1.030
Electrostatics -4.650 Helix dipole 0.000
Solvation Polar 12.940 Water bridges -0.650
Solvation Hyd -9.280 Disulfide 0.000
VdW clashes 5.540 Electrost. Kon -2.630
Entropy sc 6.460 Part.cov.bonds 0.000
Entropy mc

2.750

 ΔGstability

348.370
       

Predicted ligand sequences for template [1AOU2.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).
 
  1AOU2.PDB  

(data)
# Predicted Sequences Value Calculate
1 syGDDyGDssp 0.0
2 syGDDyGDGsp 0.0
3 syGDDyGDssD 0.01
4 syGDDyGDssA 0.01
5 syGDDyGDGsA 0.01
6 syGDDyGDGsD 0.01
7 syGDDyGDpsp 0.02
8 syGDDyGDpsA 0.03
9 syGDDyGDpsD 0.03
10 syGDDyGyGsp 0.07
11 syGDDyGyssp 0.07
12 syGDDyGyGsA 0.08
13 syGDDyGyGsD 0.08
14 syGDDyGyssD 0.08
15 syGDDyGyssA 0.08
16 syGDDyGDsEp 0.09
17 syGDDyGDGEp 0.09
18 syGDDyGypsp 0.09
19 syGDDyGDsEA 0.1
20 syGDDyGDsED 0.1
21 syGDDyGDGED 0.1
22 syGDDyGDGEA 0.1
23 syGDDyGypsA 0.1
24 syGDDyGypsD 0.1
25 syGDDyGDpEp 0.11
26 syGDDyGDpEA 0.12
27 syGDDyGDpED 0.12
28 syGDDsGDssp 0.15
29 syGDDsGDGsp 0.16
30 syGDDyGysEp 0.16
31 syPDDyGDGsp 0.16
32 syGDDsGDssD 0.16
33 syGDDsGDssA 0.16
34 syPDDyGDssp 0.16
35 syGDDyGyGEp 0.16
36 syGDDsGDGsA 0.17
37 syGDDsGDGsD 0.17
38 syGDDyGysED 0.17
39 syGDDyGysEA 0.17
40 syPDDyGDGsA 0.17
41 syPDDyGDGsD 0.17
42 syGDDsGDpsp 0.17
43 sDGDDyGDGsp 0.17
44 sDGDDyGDssp 0.17
45 syPDDyGDssD 0.17
46 syPDDyGDssA 0.17
47 syGDDyGyGEA 0.17
48 syGDDyGyGED 0.17
49 syGDDsGDpsA 0.18
50 syGDDsGDpsD 0.18
51 syPDDyGDpsp 0.18
52 sDGDDyGDGsA 0.18
53 sDGDDyGDGsD 0.18
54 sDGDDyGDssD 0.18
55 sDGDDyGDssA 0.18
56 syGDDyGypEp 0.18
57 EyGDDyGDssp 0.19
58 sDGDDyGDpsp 0.19
59 syGDDDGDssp 0.19
60 syPDDyGDpsA 0.19
61 syPDDyGDpsD 0.19
62 syGDDyGypED 0.19
63 syGDDyGypEA 0.19
64 EyGDDyGDGsp 0.19
65 EyGDDyGDssD 0.2
66 EyGDDyGDssA 0.2
67 sDGDDyGDpsA 0.2
68 sDGDDyGDpsD 0.2
69 syGDDDGDssD 0.2
70 syGDDDGDssA 0.2
71 syGDDDGDGsp 0.2
72 EyGDDyGDGsA 0.2
73 EyGDDyGDGsD 0.2
74 EyGDDyGDpsp 0.21
75 syGDDDGDpsp 0.21
76 syGDDDGDGsA 0.21
77 syGDDDGDGsD 0.21
78 EyGDDyGDpsA 0.22
79 EyGDDyGDpsD 0.22
80 syGDDDGDpsA 0.22
81 syGDDDGDpsD 0.22
82 syPDDyGyssp 0.22
83 syGDDsGyGsp 0.22
84 syGDDsGyssp 0.22
85 syPDDyGyssD 0.23
86 syPDDyGyssA 0.23
87 syGDDsGyGsD 0.23
88 syGDDsGyGsA 0.23
89 ssGDDyGDssp 0.23
90 ssGDDyGDGsp 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 syGDDsGDssp

6.93

-5.67

1.26
2 syGDDsGDGsp

8.8

-5.7

3.1
3 syGDDyGDGED

13.3

-7.56

5.74
4 syGDDyGDGEA

13.04

-7.21

5.83
5 syGDDyGDGsD

14.74

-6.73

8.01
6 syGDDyGDGsA

13.08

-5.06

8.02
7 syGDDyGDpsD

14.57

-6.19

8.38
8 syGDDyGyssA

14.85

-6.13

8.72
9 syGDDyGDpED

15.32

-6.37

8.95
10 syGDDyGDGsp

15.49

-6.5

8.99
11 syGDDyGypsp

16.54

-7.12

9.42
12 syGDDyGDssA

17.06

-7.44

9.62
13 syGDDyGDssD

17.45

-7.5

9.95
14 syGDDyGDsEA

17.82

-7.65

10.17
15 syGDDyGyGsA

18.35

-6.96

11.39
16 syGDDyGDpsA

17.78

-6.25

11.53
17 syGDDyGDsED

21.01

-8.42

12.59
18 syGDDyGyssD

21.34

-8.41

12.93
19 syGDDyGyGsD

20.79

-6.7

14.09
20 syGDDyGDssp

21.56

-7.05

14.51
21 syGDDyGypsD

21.52

-6.77

14.75
22 syGDDyGDpEp

22.33

-6.95

15.38
23 syGDDyGDGEp

23.97

-8.11

15.86
24 syGDDyGDpEA

24.53

-8.3

16.23
25 syGDDyGyGsp

23.32

-6.44

16.88
26 syGDDyGypsA

23.58

-6.7

16.88
27 syGDDyGDsEp

23.62

-6.69

16.93
28 syGDDyGDpsp

24.42

-7.47

16.95
29 syGDDyGysEp

23.9

-6.48

17.42
30 syGDDyGyssp

24.42

-6.63

17.79

 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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