Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-8.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 1.094 ΔGbinding -1.448
TOTAL
 -0.354
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.822
Van der Waals -4.040 Backbone clash 0.145
Electrostatics 0.377 Helix dipole 0.000
Solvation Polar 4.277 Water bridges -0.098
Solvation Hyd -5.340 Disulfide 0.000
VdW clashes 0.663 Electrost. Kon 0.347
Entropy sc 0.818 Part.cov.bonds 0.000
Entropy mc

2.003

 ΔGstability

14.268
       

Predicted ligand sequences for model [PEX13_1JQQ-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHPYRFPF 0.0
2 HHPYRFPF 0.0
3 KHPYRFPF 0.04
4 HHPYRFRF 0.15
5 RHPYRFRF 0.15
6 HNPYRFPF 0.18
7 RNPYRFPF 0.18
8 KHPYRFRF 0.19
9 RHPYRFKF 0.22
10 HHPYRFKF 0.22
11 KNPYRFPF 0.22
12 KHPYRFKF 0.26
13 RNPYRFRF 0.33
14 HNPYRFRF 0.33
15 KNPYRFRF 0.37
16 RHPYRMPF 0.39
17 HHPYRMPF 0.39
18 RNPYRFKF 0.4
19 HNPYRFKF 0.4
20 KHPYRMPF 0.43
21 KNPYRFKF 0.44
22 RHPYRRPF 0.46
23 HHPYRRPF 0.46
24 HHPFRFPF 0.48
25 RHPFRFPF 0.48
26 KHPYRRPF 0.5
27 KHPFRFPF 0.52
28 HHPYRMRF 0.54
29 RHPYRMRF 0.54
30 RNPYRMPF 0.56
31 HNPYRMPF 0.56
32 KHPYRMRF 0.58
33 RHPYRMKF 0.6
34 KNPYRMPF 0.6
35 HHPYRMKF 0.61
36 RHPYRRRF 0.61
37 HHPYRRRF 0.61
38 RNPYRRPF 0.63
39 RHPFRFRF 0.63
40 HHPFRFRF 0.63
41 HNPYRRPF 0.63
42 KHPYRRRF 0.65
43 RNPFRFPF 0.65
44 KHPYRMKF 0.65
45 HNPFRFPF 0.66
46 RHPYRRKF 0.67
47 KNPYRRPF 0.67
48 KHPFRFRF 0.67
49 HHPYRRKF 0.68
50 KNPFRFPF 0.69
51 RHPFRFKF 0.7
52 HHPFRFKF 0.7
53 KHPYRRKF 0.71
54 RNPYRMRF 0.71
55 HNPYRMRF 0.72
56 KHPFRFKF 0.74
57 KNPYRMRF 0.76
58 RNPYRRRF 0.78
59 HNPYRMKF 0.78
60 RNPYRMKF 0.78
61 HNPYRRRF 0.79
62 RNPFRFRF 0.81
63 HNPFRFRF 0.81
64 KNPYRMKF 0.82
65 KNPYRRRF 0.82
66 KNPFRFRF 0.85
67 RNPYRRKF 0.85
68 HNPYRRKF 0.85
69 RHPFRMPF 0.86
70 HHPFRMPF 0.87
71 RNPFRFKF 0.87
72 HNPFRFKF 0.87
73 KNPYRRKF 0.89
74 KHPFRMPF 0.91
75 KNPFRFKF 0.91
76 RHPFRRPF 0.93
77 HHPFRRPF 0.94
78 KHPFRRPF 0.97
79 RHPFRMRF 1.02
80 HHPFRMRF 1.02
81 RNPFRMPF 1.04
82 HNPFRMPF 1.04
83 KHPFRMRF 1.06
84 KNPFRMPF 1.08
85 RHPFRMKF 1.08
86 HHPFRMKF 1.08
87 RHPFRRRF 1.08
88 HHPFRRRF 1.09
89 RNPFRRPF 1.11
90 HNPFRRPF 1.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHPYRRPF

1.87

-10.87

-9.0
2 HHPYRMPF

2.29

-10.15

-7.86
3 HHPYRRPF

1.79

-9.64

-7.85
4 RHPYRMRF

2.4

-10.24

-7.84
5 RHPYRMPF

2.32

-10.14

-7.82
6 RNPYRMPF

2.09

-9.89

-7.8
7 HHPYRMRF

2.13

-9.82

-7.69
8 KHPYRFPF

2.32

-9.51

-7.19
9 KHPYRMPF

2.03

-9.16

-7.13
10 KNPYRFPF

2.82

-9.62

-6.8
11 KHPFRFPF

2.4

-9.16

-6.76
12 RHPYRFRF

2.65

-9.4

-6.75
13 HHPFRFPF

2.12

-8.66

-6.54
14 KNPYRFRF

2.87

-9.35

-6.48
15 HNPYRFPF

2.69

-9.03

-6.34
16 RHPFRFPF

2.01

-8.24

-6.23
17 HHPYRFRF

2.35

-8.54

-6.19
18 RNPYRFRF

3.73

-9.91

-6.18
19 KHPYRFRF

2.08

-8.19

-6.11
20 KHPYRRPF

2.24

-8.29

-6.05
21 HNPYRFRF

2.8

-8.83

-6.03
22 RHPYRFKF

2.22

-8.24

-6.02
23 RHPYRFPF

2.3

-8.27

-5.97
24 KHPYRFKF

2.6

-8.36

-5.76
25 KNPYRFKF

2.88

-8.6

-5.72
26 HNPYRFKF

2.91

-8.48

-5.57
27 RNPYRFKF

2.65

-8.04

-5.39
28 RNPYRFPF

2.52

-7.86

-5.34
29 HHPYRFKF

2.02

-7.23

-5.21
30 HHPYRFPF

3.11

-8.08

-4.97

 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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