Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-18.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 10
poly-Ala
A
A
A
A
A
G
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 2.629 ΔGbinding 4.105
TOTAL
 6.734
Backbone Hb -0.188 Cis_bond 0.000
Sidechain Hb -0.150 Torsional clash 1.091
Van der Waals -5.953 Backbone clash 2.449
Electrostatics -0.298 Helix dipole 0.000
Solvation Polar 6.898 Water bridges -0.002
Solvation Hyd -8.181 Disulfide 0.000
VdW clashes 6.792 Electrost. Kon -0.111
Entropy sc 0.834 Part.cov.bonds 0.000
Entropy mc

3.373

 ΔGstability

20.492
       

Predicted ligand sequences for model [PEX13_1JQQ-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RIPIRRRRCF 0.0
2 RPPIRRRRCF 0.03
3 RIPIKRRRCF 0.04
4 RPPIKRRRCF 0.08
5 RIFIRRRRCF 0.15
6 RIKIRRRRCF 0.16
7 RIPLRRRRCF 0.16
8 RIPIRRRRPF 0.16
9 RIPIRSRRCF 0.18
10 RPFIRRRRCF 0.18
11 RPKIRRRRCF 0.19
12 RPPIRRRRPF 0.19
13 RIFIKRRRCF 0.19
14 RPPLRRRRCF 0.19
15 RIPIKRRRPF 0.2
16 RIPLKRRRCF 0.2
17 RIKIKRRRCF 0.2
18 RPPIRSRRCF 0.22
19 RPFIKRRRCF 0.22
20 RPPIKRRRPF 0.23
21 RPPLKRRRCF 0.23
22 RIPIKSRRCF 0.23
23 RPKIKRRRCF 0.24
24 RPPIKSRRCF 0.26
25 RIPIRRRRCM 0.3
26 RIFIRRRRPF 0.3
27 RIFLRRRRCF 0.31
28 RIKIRRRRPF 0.32
29 RIPLRRRRPF 0.32
30 RIKLRRRRCF 0.32
31 RIFIRSRRCF 0.33
32 RIPLRSRRCF 0.34
33 RIPIRRRRCL 0.34
34 RPFIRRRRPF 0.34
35 RPFLRRRRCF 0.34
36 RIKIRSRRCF 0.34
37 RIPIRSRRPF 0.34
38 RPPIRRRRCM 0.34
39 RIFLKRRRCF 0.35
40 RPPLRRRRPF 0.35
41 RPKLRRRRCF 0.35
42 RIFIKRRRPF 0.35
43 RIPIKRRRCM 0.35
44 RPKIRRRRPF 0.35
45 RIPLKRRRPF 0.36
46 RIKIKRRRPF 0.36
47 RPFIRSRRCF 0.36
48 RIKLKRRRCF 0.36
49 RIFIKSRRCF 0.37
50 RPPIRSRRPF 0.37
51 RIPIKSRRPF 0.38
52 RPKIRSRRCF 0.38
53 RIPIRRRKCF 0.38
54 RPPIKRRRCM 0.38
55 RPFLKRRRCF 0.38
56 RPPIRRRRCL 0.38
57 RPPLRSRRCF 0.38
58 RPFIKRRRPF 0.38
59 RIKIKSRRCF 0.39
60 RIPLKSRRCF 0.39
61 RPKLKRRRCF 0.39
62 RIPIKRRRCL 0.39
63 RPKIKRRRPF 0.39
64 RPPLKRRRPF 0.39
65 RPFIKSRRCF 0.41
66 RPPIRRRKCF 0.41
67 RPPLKSRRCF 0.42
68 RIPIKRRKCF 0.42
69 RPKIKSRRCF 0.42
70 RPPIKRRRCL 0.42
71 RPPIKSRRPF 0.42
72 RPPIKRRKCF 0.45
73 RIFIRRRRCM 0.45
74 RIKIRRRRCM 0.46
75 RIPLRRRRCM 0.46
76 RIPIRRRRPM 0.46
77 RIFLRRRRPF 0.46
78 RIKLRRRRPF 0.47
79 RPFIRRRRCM 0.48
80 RIFIRSRRPF 0.49
81 RPFLRRRRPF 0.49
82 RIFLRSRRCF 0.49
83 RPPIRRRRPM 0.49
84 RPPLRRRRCM 0.49
85 RIPIRSRRCM 0.49
86 RIFIKRRRCM 0.49
87 RIFIRRRRCL 0.49
88 RIKIRRRRCL 0.5
89 RIPLRSRRPF 0.5
90 RIPLRRRRCL 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPIRSRRCF

3.42

-9.7

-6.28
2 RPFIRRRRCF

2.74

-8.9

-6.16
3 RPPLRRRRCF

3.78

-9.83

-6.05
4 RPPLKRRRCF

3.52

-9.11

-5.59
5 RPPIRRRRPF

4.72

-9.88

-5.16
6 RPPIKRRRPF

4.85

-9.63

-4.78
7 RIPIRRRRCM

2.53

-7.23

-4.7
8 RIKIRRRRCF

4.45

-8.63

-4.18
9 RPKIRRRRCF

3.52

-7.66

-4.14
10 RPFIKRRRCF

3.61

-7.67

-4.06
11 RIPIRRRRCF

3.7

-7.6

-3.9
12 RIPLRRRRPF

3.62

-7.45

-3.83
13 RIKLRRRRCF

4.86

-8.63

-3.77
14 RPKIKRRRCF

5.49

-9.17

-3.68
15 RPPIKSRRCF

4.3

-7.88

-3.58
16 RPPIRRRRCF

6.25

-9.82

-3.57
17 RIPLRRRRCF

5.99

-9.45

-3.46
18 RIFLRRRRCF

5.32

-8.59

-3.27
19 RPPIKRRRCF

5.34

-8.44

-3.1
20 RIPIRRRRPF

5.14

-8.22

-3.08
21 RIKIKRRRCF

3.21

-6.18

-2.97
22 RIPIKRRRCF

6.63

-9.26

-2.63
23 RIKIRRRRPF

4.81

-7.36

-2.55
24 RIFIRRRRPF

5.17

-7.71

-2.54
25 RIFIRRRRCF

3.98

-6.04

-2.06
26 RIFIKRRRCF

2.26

-4.25

-1.99
27 RIPIRSRRCF

4.12

-6.1

-1.98
28 RIPLKRRRCF

5.29

-6.34

-1.05
29 RIPIKSRRCF

4.85

-5.82

-0.97
30 RIPIKRRRPF

4.94

-5.7

-0.76

 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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