Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-14.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    

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Intraclash 2.422 ΔGbinding -0.976
TOTAL
 1.446
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.553
Van der Waals -4.317 Backbone clash 0.257
Electrostatics 0.863 Helix dipole 0.000
Solvation Polar 5.809 Water bridges -0.060
Solvation Hyd -5.988 Disulfide 0.000
VdW clashes 0.030 Electrost. Kon 0.578
Entropy sc 0.681 Part.cov.bonds 0.000
Entropy mc

3.423

 ΔGstability

19.299
       

Predicted ligand sequences for model [PEX13_1JQQ-14.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-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWFRIHKDL 0.0
2 RWPRIHKDL 0.0
3 RWPRRHKDL 0.03
4 RWFRRHKDL 0.03
5 RWMRIHKDL 0.09
6 RWMRRHKDL 0.12
7 RWFRIHRDL 0.15
8 RWPRIHRDL 0.16
9 RWFRIHWDL 0.18
10 RWPRIHWDL 0.18
11 RWFRRHRDL 0.18
12 RWPRRHRDL 0.18
13 KWFRIHKDL 0.2
14 KWPRIHKDL 0.2
15 RWPRRHWDL 0.21
16 RWFRRHWDL 0.21
17 RWFRKHKDL 0.22
18 RWPRKHKDL 0.22
19 KWPRRHKDL 0.23
20 KWFRRHKDL 0.23
21 RWMRIHRDL 0.25
22 RWMRRHRDL 0.27
23 RWMRIHWDL 0.28
24 RWFRIKKDL 0.29
25 KWMRIHKDL 0.3
26 RWMRRHWDL 0.3
27 RWPRIKKDL 0.3
28 KWMRRHKDL 0.32
29 RWFRRKKDL 0.32
30 RWMRKHKDL 0.32
31 RWPRRKKDL 0.32
32 MWFRIHKDL 0.33
33 MWPRIHKDL 0.33
34 MWFRRHKDL 0.35
35 RWFRIRKDL 0.35
36 RWPRIRKDL 0.35
37 MWPRRHKDL 0.36
38 KWFRIHRDL 0.36
39 KWPRIHRDL 0.36
40 KWPRRHRDL 0.38
41 KWFRIHWDL 0.38
42 RWFRRRKDL 0.38
43 RWPRRRKDL 0.38
44 RWPRKHRDL 0.38
45 KWFRRHRDL 0.38
46 RWFRKHRDL 0.38
47 RWMRIKKDL 0.39
48 KWPRIHWDL 0.39
49 RWFRIHKRL 0.39
50 RWPRIHKRL 0.39
51 RWFRKHWDL 0.4
52 RWPRKHWDL 0.4
53 RWMRRKKDL 0.41
54 KWPRRHWDL 0.41
55 KWFRRHWDL 0.41
56 KWFRKHKDL 0.42
57 RWFRRHKRL 0.42
58 MWMRIHKDL 0.42
59 RWPRRHKRL 0.42
60 KWPRKHKDL 0.43
61 KWMRIHRDL 0.45
62 RWFRIKRDL 0.45
63 MWMRRHKDL 0.45
64 RWMRIRKDL 0.45
65 RWPRIKRDL 0.45
66 RWFRIKWDL 0.47
67 RWMRRRKDL 0.47
68 RWMRKHRDL 0.47
69 RWFRRKRDL 0.47
70 KWMRIHWDL 0.48
71 KWMRRHRDL 0.48
72 RWPRRKRDL 0.48
73 MWFRIHRDL 0.48
74 RWMRIHKRL 0.48
75 RWPRIKWDL 0.48
76 MWPRIHRDL 0.48
77 KWFRIKKDL 0.5
78 RWMRKHWDL 0.5
79 RWFRRKWDL 0.5
80 KWPRIKKDL 0.5
81 KWMRRHWDL 0.5
82 RWPRRKWDL 0.5
83 MWPRRHRDL 0.51
84 RWPRIRRDL 0.51
85 MWFRRHRDL 0.51
86 RWFRIRRDL 0.51
87 RWMRRHKRL 0.51
88 MWFRIHWDL 0.51
89 MWPRIHWDL 0.51
90 KWPRRKKDL 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWFRIKKDL

2.31

-12.29

-9.98
2 RWMRRHRDL

1.71

-11.48

-9.77
3 RWFRRKKDL

1.36

-11.1

-9.74
4 RWFRKHKDL

1.36

-11.05

-9.69
5 RWMRRHKDL

1.48

-10.95

-9.47
6 RWMRIHRDL

1.53

-10.9

-9.37
7 KWFRRHKDL

1.27

-10.47

-9.2
8 RWFRRHKDL

1.77

-10.92

-9.15
9 RWPRKHKDL

1.85

-10.99

-9.14
10 RWPRIKKDL

1.75

-10.89

-9.14
11 RWPRRHWDL

2.57

-11.35

-8.78
12 KWMRIHKDL

1.81

-10.46

-8.65
13 RWFRIHKDL

2.28

-10.83

-8.55
14 KWPRRHKDL

1.79

-10.19

-8.4
15 RWFRIHRDL

2.27

-10.57

-8.3
16 RWFRRHRDL

1.36

-9.43

-8.07
17 RWPRRHRDL

1.84

-9.9

-8.06
18 RWMRKHKDL

1.33

-9.26

-7.93
19 RWFRRHWDL

2.43

-9.85

-7.42
20 RWFRIHWDL

1.91

-8.64

-6.73
21 RWPRIHKDL

1.61

-7.89

-6.28
22 KWPRIHKDL

1.72

-7.87

-6.15
23 RWMRIHWDL

2.15

-8.16

-6.01
24 RWMRRHWDL

1.73

-7.73

-6.0
25 RWPRIHWDL

1.53

-7.4

-5.87
26 KWFRIHKDL

2.85

-8.63

-5.78
27 RWPRIHRDL

1.92

-7.7

-5.78
28 KWMRRHKDL

1.2

-6.91

-5.71
29 RWPRRHKDL

2.15

-7.78

-5.63
30 RWMRIHKDL

1.86

-7.38

-5.52

 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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