Predicted ligand sequences


ADAN-name: 1AYB2.PDB (view again the scoring matrix)

PDB name: [1AYB.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G E y V N I E F
position 1 2 3 4 5 6 7 8
poly-Ala G A
y
 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 7.964 ΔGbinding -11.050
TOTAL
 -3.086
Backbone Hb -5.720 Cis_bond 0.000
Sidechain Hb -6.780 Torsional clash 0.210
Van der Waals -14.160 Backbone clash 1.100
Electrostatics -4.960 Helix dipole -0.140
Solvation Polar 22.810 Water bridges -1.360
Solvation Hyd -17.050 Disulfide 0.000
VdW clashes 4.780 Electrost. Kon -2.030
Entropy sc 6.700 Part.cov.bonds 0.000
Entropy mc

6.640

 ΔGstability

82.230
       

Predicted ligand sequences for template [1AYB2.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).
 
  1AYB2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FFyVWFLW 0.0
2 FMyVWFLW 0.04
3 FFyVWFMW 0.04
4 FFyVWFCW 0.05
5 FyyVWFLW 0.06
6 FMyVWFMW 0.08
7 FMyVWFCW 0.09
8 FyyVWFMW 0.1
9 FyyVWFCW 0.11
10 FFyAWFLW 0.14
11 PFyVWFLW 0.14
12 FFyAWFMW 0.18
13 FMyAWFLW 0.18
14 PFyVWFMW 0.18
15 PMyVWFLW 0.18
16 PFyVWFCW 0.19
17 FFyVWMLW 0.2
18 FyyAWFLW 0.2
19 PyyVWFLW 0.2
20 FFyAWFCW 0.2
21 FMyAWFMW 0.22
22 PMyVWFMW 0.22
23 PMyVWFCW 0.23
24 yFyVWFLW 0.23
25 FFyIWFLW 0.23
26 FMyAWFCW 0.24
27 FyyAWFMW 0.24
28 FMyVWMLW 0.24
29 PyyVWFMW 0.24
30 FFyVWMMW 0.24
31 FFyVWMCW 0.25
32 PyyVWFCW 0.25
33 FyyVWMLW 0.26
34 FyyAWFCW 0.26
35 yFyVWFMW 0.27
36 FFyIWFMW 0.27
37 FMyIWFLW 0.27
38 yMyVWFLW 0.27
39 FMyVWMMW 0.28
40 yyyVWFLW 0.29
41 FyyIWFLW 0.29
42 PFyAWFLW 0.29
43 FMyVWMCW 0.29
44 FFyIWFCW 0.29
45 yFyVWFCW 0.29
46 FyyVWMMW 0.3
47 yMyVWFMW 0.31
48 FMyIWFMW 0.31
49 FyyVWMCW 0.31
50 PFyAWFMW 0.32
51 FMyIWFCW 0.32
52 yMyVWFCW 0.32
53 yyyVWFMW 0.33
54 FyyIWFMW 0.33
55 PMyAWFLW 0.33
56 yyyVWFCW 0.34
57 PFyAWFCW 0.34
58 PFyVWMLW 0.34
59 FyyIWFCW 0.34
60 FFyAWMLW 0.35
61 PyyAWFLW 0.35
62 PMyAWFMW 0.36
63 FFyAWMMW 0.38
64 PFyIWFLW 0.38
65 PyyAWFMW 0.38
66 PMyVWMLW 0.38
67 PMyAWFCW 0.38
68 PFyVWMMW 0.38
69 yFyAWFLW 0.38
70 FMyAWMLW 0.39
71 PyyAWFCW 0.4
72 FFyAWMCW 0.4
73 PFyVWMCW 0.4
74 PyyVWMLW 0.4
75 yFyAWFMW 0.41
76 FyyAWMLW 0.41
77 PFyIWFMW 0.41
78 PMyVWMMW 0.42
79 FMyAWMMW 0.42
80 yMyAWFLW 0.42
81 PMyIWFLW 0.42
82 yFyVWMLW 0.43
83 PFyIWFCW 0.43
84 FFyIWMLW 0.43
85 yFyAWFCW 0.43
86 PyyVWMMW 0.44
87 PMyVWMCW 0.44
88 FyyAWMMW 0.44
89 PyyIWFLW 0.44
90 FMyAWMCW 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FyyVWFCW

4.6

-16.79

-12.19
2 FMyAWFLW

4.29

-15.69

-11.4
3 yFyVWFLW

4.56

-15.57

-11.01
4 FMyVWMLW

5.37

-16.06

-10.69
5 FyyVWFLW

4.58

-15.26

-10.68
6 PMyVWFCW

5.26

-15.74

-10.48
7 PyyVWFLW

5.88

-16.19

-10.31
8 FFyVWMMW

4.56

-14.81

-10.25
9 PFyVWFCW

5.94

-15.59

-9.65
10 PFyVWFLW

4.93

-14.11

-9.18
11 FMyVWFLW

6.36

-15.53

-9.17
12 PMyVWFLW

5.81

-14.63

-8.82
13 FFyVWFMW

5.37

-14.13

-8.76
14 PyyVWFMW

6.42

-15.12

-8.7
15 FMyAWFMW

5.31

-13.57

-8.26
16 FFyVWFLW

6.56

-14.63

-8.07
17 FFyVWFCW

5.44

-13.34

-7.9
18 FFyVWMLW

5.24

-12.91

-7.67
19 FyyAWFMW

6.07

-13.7

-7.63
20 FFyAWFCW

5.85

-13.41

-7.56
21 FFyAWFLW

5.21

-12.29

-7.08
22 FFyAWFMW

6.09

-13.14

-7.05
23 FMyVWFCW

7.26

-13.62

-6.36
24 PMyVWFMW

5.74

-11.52

-5.78
25 FMyAWFCW

5.22

-10.47

-5.25
26 PFyVWFMW

5.67

-10.73

-5.06
27 FyyVWFMW

5.0

-9.12

-4.12
28 FMyVWFMW

6.3

-10.27

-3.97
29 FFyIWFLW

5.83

-8.48

-2.65
30 FyyAWFLW

6.73

-9.14

-2.41

 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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