Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-17.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 1.675 ΔGbinding -2.010
TOTAL
 -0.335
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.129
Van der Waals -5.576 Backbone clash 0.308
Electrostatics 0.536 Helix dipole 0.000
Solvation Polar 6.476 Water bridges 0.000
Solvation Hyd -7.714 Disulfide 0.000
VdW clashes 1.484 Electrost. Kon 0.331
Entropy sc 1.164 Part.cov.bonds 0.000
Entropy mc

3.710

 ΔGstability

17.748
       

Predicted ligand sequences for model [PEX13_1JQQ-17.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-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRKRPGRSV 0.0
2 YRRRPGRSV 0.05
3 YRFRPGRSV 0.08
4 YRKRPGRRV 0.16
5 YRKRMGRSV 0.17
6 YRKRNGRSV 0.19
7 YRRRPGRRV 0.2
8 YVKRPGRSV 0.2
9 YPKRPGRSV 0.22
10 YRRRMGRSV 0.22
11 YRRRNGRSV 0.23
12 YRFRPGRRV 0.24
13 YVRRPGRSV 0.24
14 YRFRMGRSV 0.26
15 YRFRNGRSV 0.27
16 YPRRPGRSV 0.27
17 YVFRPGRSV 0.28
18 FRKRPGRSV 0.29
19 YPFRPGRSV 0.3
20 YRKRMGRRV 0.33
21 YRKRNGRRV 0.34
22 FRRRPGRSV 0.34
23 YVKRPGRRV 0.35
24 YVKRMGRSV 0.37
25 FRFRPGRSV 0.37
26 YPKRPGRRV 0.38
27 YRRRMGRRV 0.38
28 YVKRNGRSV 0.38
29 YRRRNGRRV 0.39
30 YPKRMGRSV 0.4
31 YVRRPGRRV 0.4
32 YPKRNGRSV 0.41
33 YRFRMGRRV 0.41
34 YRFRNGRRV 0.42
35 YPRRPGRRV 0.42
36 YVRRMGRSV 0.42
37 YVRRNGRSV 0.43
38 YVFRPGRRV 0.43
39 YRKRPGRHV 0.44
40 YPRRMGRSV 0.44
41 FRKRPGRRV 0.45
42 YVFRMGRSV 0.45
43 YPRRNGRSV 0.45
44 YPFRPGRRV 0.46
45 YVFRNGRSV 0.46
46 YRKMPGRSV 0.46
47 YPFRMGRSV 0.47
48 FRKRMGRSV 0.47
49 FRKRNGRSV 0.48
50 YRRRPGRHV 0.48
51 FRRRPGRRV 0.49
52 FVKRPGRSV 0.49
53 YPFRNGRSV 0.49
54 YRRMPGRSV 0.5
55 FRRRMGRSV 0.51
56 FPKRPGRSV 0.51
57 YRFRPGRHV 0.52
58 FRRRNGRSV 0.53
59 FVRRPGRSV 0.53
60 FRFRPGRRV 0.53
61 YVKRMGRRV 0.53
62 YRFMPGRSV 0.54
63 YVKRNGRRV 0.54
64 YPKRMGRRV 0.55
65 FRFRMGRSV 0.55
66 FPRRPGRSV 0.56
67 FRFRNGRSV 0.56
68 YPKRNGRRV 0.56
69 YVRRMGRRV 0.57
70 FVFRPGRSV 0.57
71 YVRRNGRRV 0.59
72 FPFRPGRSV 0.59
73 YPRRMGRRV 0.6
74 YRKRMGRHV 0.61
75 YRKMPGRRV 0.61
76 YPRRNGRRV 0.61
77 YVFRMGRRV 0.61
78 YRKRNGRHV 0.62
79 FRKRMGRRV 0.62
80 YVFRNGRRV 0.62
81 YPFRMGRRV 0.63
82 YVKRPGRHV 0.63
83 YRKMMGRSV 0.63
84 FRKRNGRRV 0.64
85 YPFRNGRRV 0.64
86 FVKRPGRRV 0.64
87 YRKMNGRSV 0.65
88 YVKMPGRSV 0.65
89 YPKRPGRHV 0.66
90 FVKRMGRSV 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPKRPGRRV

3.5

-14.09

-10.59
2 YRFRPGRRV

3.07

-13.21

-10.14
3 YRKRPGRRV

3.49

-13.61

-10.12
4 YPKRPGRSV

2.56

-12.65

-10.09
5 YVKRPGRRV

2.7

-11.34

-8.64
6 YRRRPGRRV

3.45

-11.96

-8.51
7 YPKRMGRSV

2.85

-11.21

-8.36
8 YRRRNGRRV

2.7

-11.06

-8.36
9 FRFRPGRSV

2.65

-11.01

-8.36
10 YRKRNGRSV

2.91

-11.19

-8.28
11 YRRRNGRSV

3.0

-11.19

-8.19
12 YPFRPGRSV

1.81

-9.97

-8.16
13 FRRRPGRSV

2.95

-11.04

-8.09
14 YRFRPGRSV

3.07

-11.09

-8.02
15 YRRRPGRSV

2.89

-10.26

-7.37
16 YRKRPGRSV

3.18

-10.43

-7.25
17 YRKRNGRRV

3.8

-10.96

-7.16
18 YPRRPGRSV

2.77

-9.81

-7.04
19 YRFRMGRSV

2.96

-9.75

-6.79
20 YVKRPGRSV

3.24

-10.01

-6.77
21 YRRRMGRSV

2.59

-9.31

-6.72
22 YVKRMGRSV

2.89

-9.56

-6.67
23 YRKRMGRRV

2.88

-9.42

-6.54
24 YVRRPGRSV

3.76

-10.14

-6.38
25 FRKRPGRSV

3.04

-9.4

-6.36
26 YVKRNGRSV

2.7

-8.9

-6.2
27 YVFRPGRSV

3.54

-9.6

-6.06
28 YRFRNGRSV

3.32

-9.05

-5.73
29 YRRRMGRRV

5.94

-11.55

-5.61
30 YRKRMGRSV

3.92

-8.84

-4.92

 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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