Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-21.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
 G
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 1.737 ΔGbinding -0.630
TOTAL
 1.107
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.295
Van der Waals -1.880 Backbone clash 0.060
Electrostatics 0.138 Helix dipole 0.000
Solvation Polar 2.414 Water bridges -0.082
Solvation Hyd -2.677 Disulfide 0.000
VdW clashes 0.373 Electrost. Kon 0.087
Entropy sc 0.333 Part.cov.bonds 0.000
Entropy mc

1.645

 ΔGstability

13.968
       

Predicted ligand sequences for model [PEX13_1N5Z-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWRMGRPKRK 0.0
2 EWRMGRPKRR 0.02
3 EWRMGRPKLK 0.03
4 EWRMGRPKLR 0.06
5 EWRMHRPKRK 0.11
6 EWRMHRPKRR 0.13
7 EWRMHRPKLK 0.14
8 EWRMHRPKLR 0.17
9 EWRRGRPKRK 0.17
10 EWRRGRPKRR 0.2
11 EWRRGRPKLK 0.21
12 EFRMGRPKRK 0.23
13 EMRMGRPKRK 0.23
14 EWRRGRPKLR 0.23
15 EFRMGRPKRR 0.25
16 EMRMGRPKRR 0.26
17 EMRMGRPKLK 0.26
18 EFRMGRPKLK 0.26
19 EWRRHRPKRK 0.28
20 EFRMGRPKLR 0.28
21 EMRMGRPKLR 0.29
22 EWRRHRPKRR 0.31
23 EWRRHRPKLK 0.32
24 EMRMHRPKRK 0.34
25 EFRMHRPKRK 0.34
26 EWRRHRPKLR 0.34
27 EWRMGRTKRK 0.35
28 EFRMHRPKRR 0.36
29 EMRMHRPKLK 0.37
30 EFRMHRPKLK 0.37
31 EMRMHRPKRR 0.37
32 EWRMGRTKRR 0.38
33 EWRMKRPKRK 0.39
34 EFRMHRPKLR 0.39
35 EWRMGRTKLK 0.39
36 EFRRGRPKRK 0.4
37 EMRMHRPKLR 0.4
38 EMRRGRPKRK 0.4
39 EWRMGRTKLR 0.41
40 EWRMKRPKRR 0.42
41 EFRRGRPKRR 0.42
42 EFRRGRPKLK 0.43
43 EWRMKRPKLK 0.43
44 EMRRGRPKRR 0.43
45 EMRRGRPKLK 0.44
46 EWRMGRPKRF 0.44
47 EWRMKRPKLR 0.45
48 KWRMGRPKRK 0.45
49 EWRMHRTKRK 0.46
50 EMRRGRPKLR 0.46
51 EFRRGRPKLR 0.46
52 EWRMGRQKRK 0.46
53 EWRMGRPKLF 0.47
54 KWRMGRPKRR 0.47
55 KWRMGRPKLK 0.48
56 EWRMHRTKRR 0.49
57 EWRMGRQKRR 0.49
58 EWRMHRTKLK 0.5
59 EWRMGRQKLK 0.5
60 KWRMGRPKLR 0.5
61 EMRRHRPKRK 0.51
62 EFRRHRPKRK 0.51
63 EWRMHRTKLR 0.52
64 EWRMGRQKLR 0.52
65 EWRRGRTKRK 0.53
66 EFRRHRPKRR 0.53
67 EFRRHRPKLK 0.54
68 EMRRHRPKRR 0.54
69 EWRRGRTKRR 0.55
70 EMRRHRPKLK 0.55
71 EWRMHRPKRF 0.55
72 KWRMHRPKRK 0.56
73 EWRRKRPKRK 0.56
74 EWRRGRTKLK 0.56
75 EWRMHRQKRK 0.57
76 EMRRHRPKLR 0.57
77 EFRRHRPKLR 0.57
78 KWRMHRPKRR 0.58
79 EMRMGRTKRK 0.58
80 EWRMHRPKLF 0.58
81 EFRMGRTKRK 0.58
82 EWRRGRTKLR 0.58
83 EWRRKRPKRR 0.59
84 KWRMHRPKLK 0.59
85 EWRMHRQKRR 0.6
86 EWRRKRPKLK 0.6
87 EFRMGRTKRR 0.6
88 EMRMGRTKRR 0.61
89 KWRMHRPKLR 0.61
90 EWRMHRQKLK 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EMRMGRPKLR

3.21

-8.82

-5.61
2 EWRMGRPKRR

3.6

-8.57

-4.97
3 EWRMGRPKLR

4.43

-9.3

-4.87
4 EFRMGRPKRR

3.92

-8.74

-4.82
5 EMRMGRPKRK

3.21

-8.02

-4.81
6 EMRMGRPKRR

3.26

-8.05

-4.79
7 EFRMGRPKLR

3.44

-8.21

-4.77
8 EWRMGRTKRK

3.34

-8.11

-4.77
9 EWRMHRPKRR

4.69

-9.34

-4.65
10 EWRMGRPKRK

4.09

-8.64

-4.55
11 EFRMGRPKLK

4.02

-8.36

-4.34
12 EFRMGRPKRK

4.16

-8.13

-3.97
13 EWRRGRPKRK

4.03

-7.89

-3.86
14 EWRMHRPKRK

4.41

-8.25

-3.84
15 EFRMHRPKRR

5.46

-9.29

-3.83
16 EWRMGRPKLK

4.61

-8.44

-3.83
17 EMRMGRPKLK

4.38

-8.12

-3.74
18 EWRMHRPKLR

5.34

-8.94

-3.6
19 EFRMHRPKRK

5.51

-8.85

-3.34
20 EWRRGRPKLR

4.36

-7.61

-3.25
21 EMRMHRPKLK

5.04

-8.23

-3.19
22 EMRMHRPKRK

5.14

-8.21

-3.07
23 EWRRGRPKLK

4.34

-7.37

-3.03
24 EFRMHRPKLK

6.61

-9.31

-2.7
25 EWRMHRPKLK

6.66

-8.73

-2.07
26 EWRRGRPKRR

4.0

-4.81

-0.81
27 EWRRHRPKLK

6.71

-7.44

-0.73
28 EWRRHRPKRK

6.44

-6.99

-0.55
29 EWRRHRPKLR

7.05

-7.4

-0.35
30 EWRRHRPKRR

6.79

-6.9

-0.11

 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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