Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-15.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
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    

(Help)

Intraclash 3.732 ΔGbinding 0.894
TOTAL
 4.626
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.592
Van der Waals -3.706 Backbone clash 0.181
Electrostatics 0.859 Helix dipole 0.000
Solvation Polar 5.394 Water bridges -0.015
Solvation Hyd -5.117 Disulfide 0.000
VdW clashes 0.238 Electrost. Kon 0.611
Entropy sc 0.816 Part.cov.bonds 0.000
Entropy mc

3.772

 ΔGstability

11.990
       

Predicted ligand sequences for model [PEX13_1N5Z-15.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_1N5Z-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWWIYHRIK 0.0
2 RWFIYHRIK 0.0
3 RWWIYHKIK 0.02
4 RWFIYHKIK 0.02
5 RWFIYHRNK 0.03
6 RWWIYHRNK 0.03
7 RWFIYHKNK 0.04
8 RWWIYHKNK 0.04
9 RWPIYHRIK 0.07
10 RWWIYHRIL 0.07
11 RWKIYHRIK 0.07
12 RWKIYHKIK 0.08
13 RWFIYHRIL 0.08
14 RWPIYHKIK 0.09
15 RWWIYHKIL 0.09
16 RWFIYHKIL 0.09
17 RWKIYHRNK 0.1
18 RWFIYHRNL 0.1
19 RWWIYHRNL 0.1
20 RWPIYHRNK 0.1
21 RWKIYHKNK 0.11
22 RWPIYHKNK 0.12
23 RWFIYHKNL 0.12
24 RWWIYHKNL 0.12
25 RWFIYHLIK 0.13
26 RWWIYHLIK 0.13
27 RWKIYHRIL 0.14
28 RWPIYHRIL 0.15
29 RWKIYHKIL 0.16
30 RWFIYHLNK 0.16
31 RWWIYHLNK 0.16
32 RWKIYHRNL 0.17
33 RWPIYHKIL 0.17
34 RWPIYHRNL 0.18
35 RWKIYHKNL 0.19
36 RWPIYHKNL 0.19
37 RWKIYHLIK 0.2
38 RWFIYHVIK 0.21
39 RWFIYHLIL 0.21
40 RWWIYHLIL 0.21
41 RWWIYHVIK 0.21
42 RWPIYHLIK 0.21
43 RWKIYHLNK 0.23
44 RWPIYHLNK 0.24
45 RWFIYHLNL 0.24
46 RWFIYHVNK 0.24
47 RWWIYHLNL 0.24
48 RWWIYHVNK 0.24
49 RWKIYHVIK 0.28
50 RWPIYHLIL 0.28
51 RWKIYHLIL 0.28
52 RWFIYHVIL 0.29
53 RWFIYHRMK 0.29
54 RWPIYHVIK 0.29
55 RWWIYHVIL 0.29
56 RWWIYHRMK 0.29
57 RWKIYHLNL 0.3
58 RWWIYHRKK 0.3
59 RWFIYHRKK 0.3
60 RWPIYHVNK 0.31
61 RWPIYHLNL 0.31
62 RWKIYHVNK 0.31
63 RWWIYHKKK 0.31
64 RWFIYHVNL 0.31
65 RWFIYHKKK 0.31
66 RWWIYHKMK 0.31
67 RWWIYHVNL 0.31
68 RWFIYHKMK 0.31
69 RWKIYHVIL 0.35
70 RWKIYHRMK 0.36
71 RWPIYHVIL 0.36
72 RWKIYHRKK 0.36
73 RWPIYHRMK 0.37
74 RWFIYHRML 0.37
75 RWFIYHRKL 0.37
76 RWWIYHRKL 0.37
77 RWWIYHRML 0.37
78 RWPIYHRKK 0.37
79 RWKIYHVNL 0.38
80 RWKIYHKMK 0.38
81 RWKIYHKKK 0.38
82 RWPIYHVNL 0.39
83 RWWIYHKKL 0.39
84 RWPIYHKMK 0.39
85 RWFIYHKKL 0.39
86 RWPIYHKKK 0.39
87 RWWIYHKML 0.39
88 RWFIYHKML 0.39
89 RWWIYHRIM 0.42
90 RWFIYHRIM 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWWIYHKNL

1.73

-10.09

-8.36
2 RWKIYHRIL

1.76

-9.93

-8.17
3 RWFIYHRIL

2.14

-9.94

-7.8
4 RWPIYHRIL

2.19

-9.6

-7.41
5 RWWIYHKIK

1.93

-8.99

-7.06
6 RWWIYHRIK

2.2

-8.9

-6.7
7 RWKIYHKIK

2.29

-8.65

-6.36
8 RWFIYHRIK

1.94

-8.1

-6.16
9 RWFIYHKIK

1.82

-7.81

-5.99
10 RWWIYHLIK

1.92

-7.82

-5.9
11 RWWIYHRNK

2.42

-8.31

-5.89
12 RWFIYHKNL

2.65

-8.53

-5.88
13 RWPIYHKNK

1.75

-7.56

-5.81
14 RWFIYHLNK

1.72

-7.42

-5.7
15 RWPIYHKIK

1.89

-7.55

-5.66
16 RWPIYHRIK

2.13

-7.78

-5.65
17 RWFIYHKIL

2.16

-7.76

-5.6
18 RWPIYHRNK

2.04

-7.63

-5.59
19 RWFIYHLIK

1.97

-7.53

-5.56
20 RWWIYHKIL

2.98

-8.53

-5.55
21 RWWIYHKNK

2.32

-7.85

-5.53
22 RWFIYHKNK

1.96

-7.41

-5.45
23 RWWIYHRIL

2.86

-8.17

-5.31
24 RWWIYHRNL

1.98

-7.27

-5.29
25 RWFIYHRNK

2.08

-7.22

-5.14
26 RWKIYHKNK

1.87

-6.76

-4.89
27 RWFIYHRNL

2.68

-7.52

-4.84
28 RWKIYHRNK

2.76

-7.56

-4.8
29 RWKIYHKIL

2.1

-6.84

-4.74
30 RWKIYHRIK

1.87

-6.49

-4.62

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER