Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-16.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 3.877 ΔGbinding 3.247
TOTAL
 7.124
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.869
Van der Waals -4.119 Backbone clash 0.291
Electrostatics 0.785 Helix dipole 0.000
Solvation Polar 5.162 Water bridges -0.086
Solvation Hyd -5.802 Disulfide 0.000
VdW clashes 3.270 Electrost. Kon 0.563
Entropy sc 0.673 Part.cov.bonds 0.000
Entropy mc

3.208

 ΔGstability

14.389
       

Predicted ligand sequences for model [PEX13_1N5Z-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FMPLRSIRP 0.0
2 FPPLRSIRP 0.07
3 FMPIRSIRP 0.07
4 FPPIRSIRP 0.14
5 WMPLRSIRP 0.14
6 FMPLRSHRP 0.16
7 FMRLRSIRP 0.18
8 HMPLRSIRP 0.2
9 WMPIRSIRP 0.21
10 WPPLRSIRP 0.21
11 FMPIRSHRP 0.23
12 FPPLRSHRP 0.23
13 FMFLRSIRP 0.24
14 FPRLRSIRP 0.25
15 FMRIRSIRP 0.25
16 HMPIRSIRP 0.27
17 HPPLRSIRP 0.27
18 WPPIRSIRP 0.28
19 FPPIRSHRP 0.3
20 WMPLRSHRP 0.3
21 FDPLRSIRP 0.31
22 FPFLRSIRP 0.31
23 FMFIRSIRP 0.32
24 WMRLRSIRP 0.32
25 FPRIRSIRP 0.32
26 FMPLRGIRP 0.33
27 FMRLRSHRP 0.34
28 HPPIRSIRP 0.34
29 HMPLRSHRP 0.36
30 FMPKRSIRP 0.37
31 WMPIRSHRP 0.37
32 WPPLRSHRP 0.37
33 FMPLRSRRP 0.37
34 WMFLRSIRP 0.38
35 HMRLRSIRP 0.38
36 FDPIRSIRP 0.38
37 WPRLRSIRP 0.39
38 WMRIRSIRP 0.39
39 FPFIRSIRP 0.39
40 FMPIRGIRP 0.4
41 FPPLRGIRP 0.4
42 FMFLRSHRP 0.4
43 FMRIRSHRP 0.41
44 FPRLRSHRP 0.41
45 HMPIRSHRP 0.43
46 HPPLRSHRP 0.43
47 FPPLRSRRP 0.44
48 WPPIRSHRP 0.44
49 FPPKRSIRP 0.44
50 WPFLRSIRP 0.45
51 WDPLRSIRP 0.45
52 HMFLRSIRP 0.45
53 HPRLRSIRP 0.45
54 FMPIRSRRP 0.45
55 HMRIRSIRP 0.45
56 WMFIRSIRP 0.46
57 WPRIRSIRP 0.46
58 WMPLRGIRP 0.47
59 FPFLRSHRP 0.47
60 FDPLRSHRP 0.47
61 FPPIRGIRP 0.47
62 WMRLRSHRP 0.48
63 FPRIRSHRP 0.48
64 FMFIRSHRP 0.48
65 FMPLRGHRP 0.49
66 FDRLRSIRP 0.49
67 HPPIRSHRP 0.5
68 FMRLRGIRP 0.5
69 WMPLRSRRP 0.51
70 HDPLRSIRP 0.51
71 HPFLRSIRP 0.51
72 WMPKRSIRP 0.51
73 WDPIRSIRP 0.52
74 FPPIRSRRP 0.52
75 HPRIRSIRP 0.52
76 HMFIRSIRP 0.52
77 HMPLRGIRP 0.53
78 FMPKRSHRP 0.53
79 WPFIRSIRP 0.53
80 WPPLRGIRP 0.54
81 WMFLRSHRP 0.54
82 WMPIRGIRP 0.54
83 FDPIRSHRP 0.54
84 HMRLRSHRP 0.54
85 FMRKRSIRP 0.55
86 FPFIRSHRP 0.55
87 WPRLRSHRP 0.55
88 WMRIRSHRP 0.55
89 FDFLRSIRP 0.55
90 FMRLRSRRP 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPPLRSHRP

3.25

-10.12

-6.87
2 FPRIRSIRP

2.75

-8.74

-5.99
3 FPPIRSIRP

3.36

-9.26

-5.9
4 FPPLRSIRP

3.99

-9.78

-5.79
5 FPRLRSIRP

4.22

-9.92

-5.7
6 FPPIRSHRP

4.05

-9.63

-5.58
7 FMPLRGIRP

2.29

-7.68

-5.39
8 FPFLRSIRP

4.04

-9.18

-5.14
9 WPPLRSIRP

3.99

-8.81

-4.82
10 FMFLRSIRP

3.05

-7.79

-4.74
11 HPPLRSIRP

4.18

-8.87

-4.69
12 FMRLRSIRP

3.16

-7.65

-4.49
13 WPPIRSIRP

4.19

-8.58

-4.39
14 FMRLRSHRP

3.89

-8.25

-4.36
15 WMPLRSHRP

3.33

-7.55

-4.22
16 WMRLRSIRP

2.94

-7.13

-4.19
17 HPPIRSIRP

3.84

-7.97

-4.13
18 FMPLRSHRP

4.02

-7.9

-3.88
19 FMRIRSIRP

3.48

-7.32

-3.84
20 FDPLRSIRP

3.25

-6.91

-3.66
21 FMFIRSIRP

3.02

-6.68

-3.66
22 FMPLRSIRP

4.03

-7.46

-3.43
23 WMPLRSIRP

4.27

-7.65

-3.38
24 FMPKRSIRP

4.2

-7.48

-3.28
25 FMPIRSHRP

4.22

-7.48

-3.26
26 WMPIRSIRP

3.28

-6.51

-3.23
27 HMPLRSIRP

4.26

-7.48

-3.22
28 FMPIRSIRP

4.07

-7.17

-3.1
29 HMPLRSHRP

4.24

-7.34

-3.1
30 HMPIRSIRP

3.78

-6.09

-2.31

 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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