Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-9.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 1.715 ΔGbinding -2.377
TOTAL
 -0.662
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.684
Van der Waals -4.120 Backbone clash 0.088
Electrostatics 0.875 Helix dipole 0.000
Solvation Polar 5.076 Water bridges -0.117
Solvation Hyd -5.342 Disulfide 0.000
VdW clashes 0.009 Electrost. Kon 0.475
Entropy sc 1.133 Part.cov.bonds 0.000
Entropy mc

2.774

 ΔGstability

13.586
       

Predicted ligand sequences for model [PEX13_1JQQ-9.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-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 YIFRPPRY 0.0
2 YRFRPPRY 0.06
3 YIPRPPRY 0.12
4 YIYRPPRY 0.18
5 YRPRPPRY 0.18
6 YIFRPRRY 0.21
7 YIFRFPRY 0.22
8 YRYRPPRY 0.24
9 YRFRPRRY 0.26
10 YIFRPLRY 0.27
11 YRFRFPRY 0.28
12 YIFRPFRY 0.28
13 YRFRPLRY 0.33
14 YRFRPFRY 0.33
15 YIPRPRRY 0.33
16 YIPRFPRY 0.34
17 YIFRRPRY 0.34
18 YRPRPRRY 0.38
19 YIIRPPRY 0.38
20 YIPRPLRY 0.39
21 YIYRPRRY 0.39
22 YPFRPPRY 0.4
23 YRFRRPRY 0.4
24 YIPRPFRY 0.4
25 YRPRFPRY 0.4
26 YIYRFPRY 0.41
27 YRIRPPRY 0.43
28 YIFRFRRY 0.43
29 YRYRPRRY 0.44
30 YRPRPLRY 0.45
31 YRPRPFRY 0.45
32 YIYRPLRY 0.45
33 YIPRRPRY 0.46
34 YRYRFPRY 0.46
35 YIYRPFRY 0.46
36 YRFRFRRY 0.49
37 YIFRFLRY 0.5
38 YIFRFFRY 0.5
39 YRYRPFRY 0.51
40 YRYRPLRY 0.51
41 YPPRPPRY 0.52
42 YRPRRPRY 0.52
43 YIYRRPRY 0.52
44 YIFRRRRY 0.55
45 YIPRFRRY 0.55
46 YRFRFLRY 0.55
47 YRFRFFRY 0.56
48 YRYRRPRY 0.58
49 YPYRPPRY 0.58
50 YIIRPRRY 0.58
51 YIIRFPRY 0.6
52 YRFRRRRY 0.6
53 YPFRPRRY 0.6
54 YIFRRLRY 0.61
55 YIYRFRRY 0.61
56 YRPRFRRY 0.61
57 YIPRFLRY 0.62
58 YPFRFPRY 0.62
59 YIFRRFRY 0.62
60 YIPRFFRY 0.62
61 YRIRPRRY 0.64
62 YIIRPFRY 0.65
63 YIIRPLRY 0.65
64 YRIRFPRY 0.66
65 YRFRRFRY 0.67
66 YIPRRRRY 0.67
67 YRFRRLRY 0.67
68 YRPRFLRY 0.67
69 YRYRFRRY 0.67
70 YPFRPLRY 0.67
71 YPFRPFRY 0.67
72 YIYRFFRY 0.68
73 YRPRFFRY 0.68
74 YIYRFLRY 0.68
75 YRIRPFRY 0.71
76 YRIRPLRY 0.71
77 YIIRRPRY 0.72
78 YPPRPRRY 0.72
79 YRPRRRRY 0.72
80 YRYRFLRY 0.73
81 YIYRRRRY 0.73
82 YPFRRPRY 0.74
83 YRYRFFRY 0.74
84 YIPRRFRY 0.74
85 YIPRRLRY 0.74
86 YPPRFPRY 0.74
87 YRIRRPRY 0.77
88 YPIRPPRY 0.77
89 YRPRRLRY 0.79
90 YRPRRFRY 0.79
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YRYRPPRY

1.26

-11.39

-10.13
2 YRPRPLRY

2.28

-12.34

-10.06
3 YRFRPRRY

1.48

-11.35

-9.87
4 YRPRFPRY

2.16

-11.92

-9.76
5 YRFRPPRY

1.57

-11.2

-9.63
6 YRFRPLRY

1.26

-10.78

-9.52
7 YRFRPFRY

1.4

-10.79

-9.39
8 YRPRPRRY

1.63

-10.71

-9.08
9 YIFRPRRY

2.22

-11.06

-8.84
10 YIYRPPRY

1.99

-10.54

-8.55
11 YRFRRPRY

2.27

-10.69

-8.42
12 YPFRPPRY

1.98

-10.28

-8.3
13 YRPRPPRY

1.34

-9.6

-8.26
14 YIYRPRRY

2.12

-10.36

-8.24
15 YIFRRPRY

2.14

-10.29

-8.15
16 YIPRPFRY

1.6

-9.7

-8.1
17 YIPRPRRY

2.84

-10.93

-8.09
18 YRYRPRRY

2.09

-10.16

-8.07
19 YIFRFPRY

3.13

-11.08

-7.95
20 YIIRPPRY

2.11

-10.02

-7.91
21 YIFRPPRY

2.2

-10.06

-7.86
22 YIPRFPRY

2.42

-10.15

-7.73
23 YRFRFPRY

3.3

-10.92

-7.62
24 YIFRFRRY

3.41

-10.93

-7.52
25 YIFRPLRY

2.38

-9.89

-7.51
26 YIPRPPRY

2.57

-9.88

-7.31
27 YIYRFPRY

3.32

-10.57

-7.25
28 YIFRPFRY

3.34

-10.56

-7.22
29 YIPRPLRY

2.14

-9.29

-7.15
30 YRIRPPRY

2.55

-9.56

-7.01

 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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