Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-16.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
poly-Ala
A
A
A
 A
A
G
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 3.779 ΔGbinding 5.744
TOTAL
 9.523
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.855
Van der Waals -4.735 Backbone clash 0.645
Electrostatics 0.889 Helix dipole 0.000
Solvation Polar 6.267 Water bridges -0.122
Solvation Hyd -6.539 Disulfide 0.000
VdW clashes 4.836 Electrost. Kon 0.599
Entropy sc 0.479 Part.cov.bonds 0.000
Entropy mc

3.215

 ΔGstability

23.815
       

Predicted ligand sequences for model [PEX13_1JQQ-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPPIRSEEP 0.0
2 YPHIRSEEP 0.15
3 YPPIRSIEP 0.17
4 YPYIRSEEP 0.21
5 YPPLRSEEP 0.22
6 YPHIRSIEP 0.32
7 RPPIRSEEP 0.37
8 YPYIRSIEP 0.37
9 YPPIRGEEP 0.37
10 YPHLRSEEP 0.38
11 YPPLRSIEP 0.39
12 YPPIRSERP 0.41
13 YPPIKSEEP 0.42
14 YPYLRSEEP 0.43
15 YPPIRSEKP 0.45
16 YPPKRSEEP 0.47
17 RPHIRSEEP 0.52
18 YPHIRGEEP 0.53
19 RPPIRSIEP 0.54
20 YPHLRSIEP 0.54
21 YPPIRGIEP 0.54
22 YPHIRSERP 0.57
23 YPHIKSEEP 0.57
24 YPPIKSIEP 0.58
25 RPYIRSEEP 0.58
26 YPYIRGEEP 0.58
27 YPPIRSIRP 0.58
28 RPPLRSEEP 0.59
29 YPYLRSIEP 0.6
30 YPPLRGEEP 0.6
31 YPHIRSEKP 0.6
32 YPPIRSIKP 0.61
33 YPYIKSEEP 0.62
34 YPYIRSERP 0.62
35 YPHKRSEEP 0.62
36 YPPKRSIEP 0.63
37 YPPLKSEEP 0.64
38 YPPLRSERP 0.64
39 YPYIRSEKP 0.65
40 YPPLRSEKP 0.67
41 YPYKRSEEP 0.68
42 YPHIRGIEP 0.69
43 RPHIRSIEP 0.69
44 YPHIRSIRP 0.73
45 YPHIKSIEP 0.73
46 RPYIRSIEP 0.74
47 RPPIRGEEP 0.74
48 YPYIRGIEP 0.75
49 YPHLRGEEP 0.75
50 RPHLRSEEP 0.75
51 YPPLRGIEP 0.76
52 RPPLRSIEP 0.76
53 YPHIRSIKP 0.76
54 RPPIRSERP 0.78
55 YPYIKSIEP 0.79
56 YPHLRSERP 0.79
57 YPHLKSEEP 0.79
58 YPHKRSIEP 0.79
59 RPPIKSEEP 0.79
60 YPPIKGEEP 0.79
61 YPYIRSIRP 0.79
62 YPPIRGERP 0.79
63 YPYLRGEEP 0.8
64 YPPLRSIRP 0.8
65 RPYLRSEEP 0.8
66 YPPLKSIEP 0.81
67 RPPIRSEKP 0.81
68 YPHLRSEKP 0.82
69 YPYIRSIKP 0.82
70 YPPIRGEKP 0.82
71 YPPIKSERP 0.83
72 YPPLRSIKP 0.83
73 YPYLRSERP 0.84
74 YPYKRSIEP 0.84
75 YPPKRGEEP 0.84
76 RPPKRSEEP 0.84
77 YPYLKSEEP 0.85
78 YPPIKSEKP 0.86
79 YPPKKSEEP 0.88
80 YPPKRSERP 0.88
81 YPYLRSEKP 0.88
82 RPHIRGEEP 0.9
83 RPHLRSIEP 0.91
84 YPHLRGIEP 0.91
85 YPPKRSEKP 0.91
86 RPPIRGIEP 0.91
87 YPHIKGEEP 0.94
88 RPHIKSEEP 0.94
89 YPHIRGERP 0.94
90 RPHIRSERP 0.94
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPYIRGEEP

1.09

-4.95

-3.86
2 YPPIRGIEP

0.92

-3.79

-2.87
3 YPYIRSIEP

3.86

-6.48

-2.62
4 YPPIRSIRP

4.46

-6.98

-2.52
5 YPPLRGEEP

2.14

-4.21

-2.07
6 RPPLRSEEP

4.45

-6.36

-1.91
7 YPHLRSIEP

3.08

-4.81

-1.73
8 YPPIRGEEP

1.87

-3.48

-1.61
9 RPPIRSIEP

3.32

-4.7

-1.38
10 YPHIRGEEP

2.05

-3.38

-1.33
11 YPPLRSIEP

3.1

-4.39

-1.29
12 YPYLRSIEP

3.5

-4.64

-1.14
13 YPHIRSERP

4.01

-5.14

-1.13
14 YPPIRSEKP

4.08

-4.99

-0.91
15 YPPIRSIEP

3.29

-4.0

-0.71
16 YPHIRSIEP

2.98

-3.68

-0.7
17 YPPIRSERP

4.78

-5.4

-0.62
18 YPYLRSEEP

3.33

-3.74

-0.41
19 YPPIKSIEP

3.47

-3.72

-0.25
20 YPHIKSEEP

2.96

-2.86

0.1
21 YPPLRSEEP

4.36

-4.15

0.21
22 RPYIRSEEP

3.28

-3.06

0.22
23 YPHLRSEEP

4.03

-3.72

0.31
24 YPPIRSEEP

4.07

-3.71

0.36
25 RPPIRSEEP

3.95

-3.46

0.49
26 YPPKRSEEP

4.0

-3.22

0.78
27 RPHIRSEEP

4.13

-3.13

1.0
28 YPPIKSEEP

3.82

-2.69

1.13
29 YPHIRSEEP

4.04

-2.72

1.32
30 YPYIRSEEP

4.31

-2.6

1.71

 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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