Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-29.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
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 3.471 ΔGbinding -4.017
TOTAL
 -0.546
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.586
Van der Waals -4.515 Backbone clash 0.000
Electrostatics -0.133 Helix dipole 0.000
Solvation Polar 4.525 Water bridges -0.042
Solvation Hyd -6.231 Disulfide 0.000
VdW clashes 0.074 Electrost. Kon -0.080
Entropy sc 1.021 Part.cov.bonds 0.000
Entropy mc

2.054

 ΔGstability

13.255
       

Predicted ligand sequences for model [PEX13_1JQQ-29.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).
 
  PEX13_1JQQ-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HYPPIRRHLR 0.0
2 HYPPIRRHIR 0.0
3 HRPPIRRHIR 0.06
4 HRPPIRRHLR 0.06
5 DYPPIRRHIR 0.14
6 HYPPIRRHLK 0.14
7 DYPPIRRHLR 0.14
8 HYPRIRRHIR 0.15
9 HYPRIRRHLR 0.15
10 HYPPIRRHIK 0.15
11 DRPPIRRHIR 0.2
12 HRPPIRRHIK 0.2
13 RYPPIRRHLR 0.2
14 DRPPIRRHLR 0.2
15 HRPPIRRHLK 0.2
16 RYPPIRRHIR 0.2
17 HRPRIRRHLR 0.21
18 HRPRIRRHIR 0.21
19 HYPWIRRHLR 0.22
20 HYPWIRRHIR 0.22
21 RRPPIRRHLR 0.26
22 RRPPIRRHIR 0.26
23 HRPWIRRHIR 0.28
24 HRPWIRRHLR 0.28
25 DYPPIRRHLK 0.28
26 DYPPIRRHIK 0.29
27 DYPRIRRHLR 0.29
28 HYPPIRHHIR 0.29
29 HYPRIRRHLK 0.29
30 HYPPIRHHLR 0.29
31 DYPRIRRHIR 0.29
32 HYPRIRRHIK 0.3
33 HYPPIRKHLR 0.31
34 HYPPIRKHIR 0.31
35 DRPPIRRHIK 0.34
36 RYPPIRRHLK 0.34
37 DRPPIRRHLK 0.34
38 HRPPIRHHLR 0.34
39 RYPPIRRHIK 0.34
40 HRPPIRHHIR 0.35
41 HRPRIRRHLK 0.35
42 DRPRIRRHLR 0.35
43 DRPRIRRHIR 0.35
44 RYPRIRRHIR 0.35
45 HRPRIRRHIK 0.35
46 RYPRIRRHLR 0.35
47 HYPWIRRHLK 0.36
48 DYPWIRRHLR 0.36
49 HRPPIRKHLR 0.36
50 DYPWIRRHIR 0.36
51 HRPPIRKHIR 0.37
52 HYPWIRRHIK 0.37
53 RRPPIRRHLK 0.4
54 RRPRIRRHLR 0.4
55 RRPPIRRHIK 0.4
56 RRPRIRRHIR 0.41
57 RYPWIRRHLR 0.42
58 HYPPIRRHWR 0.42
59 HRPWIRRHLK 0.42
60 DRPWIRRHLR 0.42
61 HRPWIRRHIK 0.42
62 RYPWIRRHIR 0.42
63 DRPWIRRHIR 0.42
64 HYDPIRRHLR 0.43
65 DYPPIRHHIR 0.43
66 DYPRIRRHLK 0.43
67 DYPPIRHHLR 0.43
68 HYPPIRHHIK 0.43
69 HYPPIRHHLK 0.43
70 HYPRIRHHLR 0.44
71 HYDPIRRHIR 0.44
72 HYPRIRHHIR 0.44
73 DYPRIRRHIK 0.44
74 HWPPIRRHLR 0.45
75 HYPPIRKHLK 0.45
76 HYPPIRKHIK 0.45
77 DYPPIRKHIR 0.45
78 HYPRIRKHLR 0.45
79 DYPPIRKHLR 0.45
80 HYPPMRRHLR 0.46
81 HYPRIRKHIR 0.46
82 HWPPIRRHIR 0.46
83 RRPWIRRHLR 0.47
84 HYPPMRRHIR 0.47
85 HRPPIRRHWR 0.48
86 DRPPIRHHLR 0.48
87 RRPWIRRHIR 0.48
88 HRPPIRHHIK 0.49
89 HRDPIRRHLR 0.49
90 RYPPIRHHLR 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DRPPIRRHIR

2.13

-16.69

-14.56
2 DRPPIRRHLR

1.54

-15.62

-14.08
3 DYPPIRRHLK

1.58

-15.57

-13.99
4 DYPPIRRHLR

1.86

-15.6

-13.74
5 DYPRIRRHLR

1.59

-15.32

-13.73
6 RYPPIRRHIR

1.74

-15.29

-13.55
7 HYPPIRRHLR

1.99

-15.43

-13.44
8 HRPRIRRHIR

1.69

-15.06

-13.37
9 DYPPIRRHIR

1.47

-14.7

-13.23
10 HRPPIRRHLR

2.02

-15.17

-13.15
11 HYPPIRRHIK

1.85

-14.94

-13.09
12 RYPPIRRHLR

1.88

-14.86

-12.98
13 HYPRIRRHIR

1.46

-14.4

-12.94
14 HRPWIRRHLR

1.44

-14.37

-12.93
15 HYPPIRRHIR

1.46

-14.33

-12.87
16 DYPPIRRHIK

1.33

-14.2

-12.87
17 HYPRIRRHLR

2.11

-14.82

-12.71
18 HRPRIRRHLR

2.46

-15.08

-12.62
19 HYPWIRRHIR

1.47

-14.06

-12.59
20 HRPPIRRHIK

1.56

-14.08

-12.52
21 HRPPIRRHLK

2.34

-14.84

-12.5
22 HYPPIRRHLK

2.49

-14.98

-12.49
23 HYPRIRRHLK

3.2

-15.43

-12.23
24 RRPPIRRHLR

2.62

-14.82

-12.2
25 HRPPIRRHIR

1.57

-13.71

-12.14
26 HYPWIRRHLR

3.27

-15.4

-12.13
27 HRPWIRRHIR

1.69

-13.54

-11.85
28 RRPPIRRHIR

2.51

-14.35

-11.84
29 HYPPIRHHLR

2.7

-14.08

-11.38
30 HYPPIRHHIR

2.02

-13.08

-11.06

 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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