Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1JQQ-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 1.222 ΔGbinding -1.855
TOTAL
 -0.633
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.057
Van der Waals -3.701 Backbone clash 0.088
Electrostatics 0.364 Helix dipole 0.000
Solvation Polar 3.976 Water bridges -0.133
Solvation Hyd -4.978 Disulfide 0.000
VdW clashes 0.003 Electrost. Kon 0.281
Entropy sc 0.972 Part.cov.bonds 0.000
Entropy mc

2.854

 ΔGstability

14.069
       

Predicted ligand sequences for model [PEX13_1JQQ-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YDKRRRK 0.0
2 YDKRRRL 0.03
3 YDPRRRK 0.06
4 YDWRRRK 0.07
5 YDKRRRN 0.09
6 YDPRRRL 0.09
7 YDWRRRL 0.1
8 YDPRRRN 0.15
9 YDWRRRN 0.16
10 YDKRRRM 0.18
11 YDPRRRM 0.24
12 YDWRRRM 0.24
13 YDERRRK 0.29
14 YDKRRRR 0.29
15 YDERRRL 0.32
16 YDPRRRR 0.34
17 YDRRRRK 0.35
18 YDWRRRR 0.35
19 YDKRLRK 0.35
20 YDERRRN 0.38
21 YDRRRRL 0.38
22 YDKRLRL 0.38
23 YDWRLRK 0.41
24 YDPRLRK 0.41
25 YDPRLRL 0.44
26 YDRRRRN 0.44
27 YDKRLRN 0.44
28 YDWRLRL 0.45
29 YDKRMRK 0.45
30 YDERRRM 0.47
31 YDKRMRL 0.48
32 YDPRMRK 0.5
33 YDPRLRN 0.5
34 YDWRLRN 0.51
35 YDWRMRK 0.51
36 YDRRRRM 0.52
37 YDKRLRM 0.53
38 YDKRMRN 0.54
39 YDPRMRL 0.54
40 YDWRMRL 0.54
41 YDERRRR 0.58
42 YDKRRPK 0.58
43 YDWRLRM 0.59
44 YDPRLRM 0.59
45 YDPRMRN 0.6
46 YDWRMRN 0.6
47 YDKRMRM 0.62
48 YDKRRPL 0.62
49 YDRRRRR 0.63
50 YDERLRK 0.64
51 YDPRRPK 0.64
52 YDKRLRR 0.64
53 YDWRRPK 0.65
54 YDERLRL 0.67
55 YDWRRPL 0.68
56 YDPRRPL 0.68
57 YDPRMRM 0.68
58 YDKRRPN 0.68
59 YDWRMRM 0.69
60 YDPRLRR 0.69
61 YDWRLRR 0.7
62 YDRRLRK 0.7
63 YDERLRN 0.73
64 YDRRLRL 0.73
65 YDKRMRR 0.73
66 YDERMRK 0.73
67 YDWRRPN 0.74
68 YDPRRPN 0.74
69 YDKRRPM 0.76
70 YDERMRL 0.77
71 YDRRLRN 0.79
72 YDPRMRR 0.79
73 YDRRMRK 0.79
74 YDWRMRR 0.8
75 YDERLRM 0.82
76 YDPRRPM 0.82
77 YDRRMRL 0.82
78 YDERMRN 0.83
79 YDWRRPM 0.83
80 YDKRRPR 0.87
81 YDERRPK 0.88
82 YDRRMRN 0.88
83 YDRRLRM 0.88
84 YDERRPL 0.91
85 YDERMRM 0.91
86 YDPRRPR 0.93
87 YDERLRR 0.93
88 YDRRRPK 0.93
89 YDKRLPK 0.93
90 YDWRRPR 0.94
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YDWRRRM

1.64

-11.19

-9.55
2 YDRRRRK

1.46

-10.66

-9.2
3 YDRRRRN

1.62

-10.74

-9.12
4 YDWRRRR

1.69

-10.66

-8.97
5 YDWRLRK

2.21

-11.13

-8.92
6 YDERRRN

1.75

-10.43

-8.68
7 YDKRLRN

1.63

-10.09

-8.46
8 YDKRRRN

1.64

-9.91

-8.27
9 YDRRRRL

1.61

-9.86

-8.25
10 YDKRRRL

1.57

-9.72

-8.15
11 YDERRRL

1.7

-9.79

-8.09
12 YDKRLRL

1.79

-9.85

-8.06
13 YDPRRRK

1.32

-9.26

-7.94
14 YDPRRRM

1.64

-9.21

-7.57
15 YDPRRRR

1.83

-9.35

-7.52
16 YDERRRM

1.63

-9.11

-7.48
17 YDKRRRM

1.56

-8.98

-7.42
18 YDWRRRL

1.79

-9.18

-7.39
19 YDKRRRR

1.87

-9.19

-7.32
20 YDERRRK

1.41

-8.7

-7.29
21 YDWRLRL

1.75

-8.88

-7.13
22 YDKRLRK

1.53

-8.48

-6.95
23 YDPRRRL

1.59

-8.5

-6.91
24 YDWRRRN

1.66

-8.57

-6.91
25 YDKRMRK

1.44

-7.8

-6.36
26 YDWRRRK

1.73

-7.9

-6.17
27 YDPRLRL

1.52

-7.62

-6.1
28 YDKRRRK

1.63

-7.5

-5.87
29 YDPRRRN

1.52

-7.2

-5.68
30 YDPRLRK

2.03

-6.97

-4.94

 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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