Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-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 2.922 ΔGbinding -1.329
TOTAL
 1.593
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.238 Torsional clash 0.431
Van der Waals -2.738 Backbone clash 0.219
Electrostatics 0.107 Helix dipole 0.000
Solvation Polar 3.650 Water bridges -0.034
Solvation Hyd -3.507 Disulfide 0.000
VdW clashes 0.562 Electrost. Kon 0.097
Entropy sc 0.359 Part.cov.bonds 0.000
Entropy mc

2.257

 ΔGstability

22.003
       

Predicted ligand sequences for model [PEX13_1JQQ-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_1JQQ-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 YWRRGRPNWR 0.0
2 YWRRRRPNWR 0.12
3 YWRRGRPRWR 0.16
4 YWRRHRPNWR 0.18
5 YWRRGRPNWK 0.21
6 YWRRRRPRWR 0.29
7 YWRRGRTNWR 0.31
8 YWRIGRPNWR 0.33
9 YWRRRRPNWK 0.34
10 YWRRHRPRWR 0.34
11 YFRRGRPNWR 0.35
12 YWRMGRPNWR 0.36
13 YWRRGRPRWK 0.38
14 YYRRGRPNWR 0.39
15 YWRRHRPNWK 0.39
16 YWRRGRQNWR 0.42
17 YWRRRRTNWR 0.43
18 YWRIRRPNWR 0.46
19 YFRRRRPNWR 0.47
20 YWRRGRTRWR 0.47
21 YWRMRRPNWR 0.48
22 YWRRHRTNWR 0.49
23 YWRIGRPRWR 0.49
24 YWRRRRPRWK 0.5
25 YFRRGRPRWR 0.51
26 YWRIHRPNWR 0.51
27 YWRRGRTNWK 0.52
28 YYRRRRPNWR 0.52
29 YWRMGRPRWR 0.52
30 YWRMHRPNWR 0.53
31 YFRRHRPNWR 0.53
32 YWRIGRPNWK 0.54
33 YWRRRRQNWR 0.54
34 YWRRHRPRWK 0.55
35 YYRRGRPRWR 0.56
36 YFRRGRPNWK 0.56
37 YWRMGRPNWK 0.57
38 YYRRHRPNWR 0.57
39 YWRRGRQRWR 0.58
40 YWRRHRQNWR 0.59
41 YWRRRRTRWR 0.6
42 YYRRGRPNWK 0.61
43 YWRIRRPRWR 0.62
44 YWRRGRQNWK 0.63
45 YWRIGRTNWR 0.64
46 YFRRRRPRWR 0.64
47 YWRMRRPRWR 0.64
48 YWRRHRTRWR 0.65
49 YWRRRRTNWK 0.65
50 YFRRGRTNWR 0.66
51 YWRIHRPRWR 0.67
52 YWRIRRPNWK 0.67
53 YWRMGRTNWR 0.67
54 YWRRGRTRWK 0.68
55 YFRIGRPNWR 0.68
56 YYRRRRPRWR 0.68
57 YFRRRRPNWK 0.69
58 YFRRHRPRWR 0.69
59 YWRMRRPNWK 0.69
60 YWRMHRPRWR 0.7
61 YWRRHRTNWK 0.7
62 YYRRGRTNWR 0.7
63 YWRRRRQRWR 0.7
64 YFRMGRPNWR 0.71
65 YWRIGRPRWK 0.71
66 YFRRGRPRWK 0.72
67 YWRIHRPNWK 0.72
68 YYRIGRPNWR 0.73
69 YYRRRRPNWK 0.73
70 YWRMGRPRWK 0.73
71 YFRRHRPNWK 0.74
72 YYRRHRPRWR 0.74
73 YWRMHRPNWK 0.75
74 YWRRRRQNWK 0.75
75 YYRMGRPNWR 0.75
76 YWRIGRQNWR 0.75
77 YWRRHRQRWR 0.76
78 YWRIRRTNWR 0.77
79 YFRRGRQNWR 0.77
80 YWRMGRQNWR 0.77
81 YYRRGRPRWK 0.77
82 YYRRHRPNWK 0.78
83 YFRRRRTNWR 0.78
84 YWRRGRQRWK 0.79
85 YWRMRRTNWR 0.79
86 YWRIGRTRWR 0.8
87 YYRRGRQNWR 0.81
88 YWRRHRQNWK 0.81
89 YFRIRRPNWR 0.81
90 YWRRRRTRWK 0.81
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YWRIHRPNWR

4.85

-13.12

-8.27
2 YWRIGRPRWR

4.15

-12.29

-8.14
3 YWRIGRPNWR

3.17

-10.25

-7.08
4 YWRMGRPRWR

3.49

-10.33

-6.84
5 YFRRGRPRWR

4.13

-10.69

-6.56
6 YWRRGRPRWR

4.35

-10.32

-5.97
7 YFRRGRPNWR

5.5

-11.45

-5.95
8 YWRIRRPNWR

5.37

-11.29

-5.92
9 YWRRHRPNWR

4.99

-10.64

-5.65
10 YYRRGRPNWR

4.2

-9.62

-5.42
11 YWRRGRPRWK

4.55

-9.96

-5.41
12 YWRMHRPNWR

5.24

-10.45

-5.21
13 YWRRRRPRWK

6.11

-11.23

-5.12
14 YWRRHRTNWR

5.19

-10.29

-5.1
15 YWRRGRTNWR

4.29

-9.35

-5.06
16 YWRRRRPRWR

5.87

-10.72

-4.85
17 YWRRGRPNWK

3.91

-8.73

-4.82
18 YWRRRRPNWR

5.58

-10.18

-4.6
19 YFRRRRPNWR

6.19

-10.75

-4.56
20 YWRRHRPRWR

6.42

-10.96

-4.54
21 YWRRGRTRWR

4.3

-8.74

-4.44
22 YWRRGRTNWK

5.13

-9.3

-4.17
23 YWRRGRQNWR

4.12

-8.19

-4.07
24 YWRRRRPNWK

6.18

-10.12

-3.94
25 YWRRRRTNWR

6.3

-10.04

-3.74
26 YWRMRRPNWR

6.65

-10.06

-3.41
27 YYRRRRPNWR

6.43

-9.83

-3.4
28 YWRRGRPNWR

4.58

-7.86

-3.28
29 YWRMGRPNWR

4.78

-7.35

-2.57
30 YWRRHRPNWK

6.25

-7.49

-1.24

 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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