Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-13.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
A
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 0.345 ΔGbinding -2.167
TOTAL
 -1.822
Backbone Hb -2.162 Cis_bond 0.000
Sidechain Hb -2.162 Torsional clash 0.600
Van der Waals -3.513 Backbone clash 0.013
Electrostatics 0.284 Helix dipole 0.000
Solvation Polar 4.081 Water bridges -0.221
Solvation Hyd -4.343 Disulfide 0.000
VdW clashes 0.011 Electrost. Kon 0.341
Entropy sc 1.755 Part.cov.bonds 0.000
Entropy mc

3.164

 ΔGstability

7.326
       

Predicted ligand sequences for model [SHO1_2VKN-13.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).
 
  SHO1_2VKN-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPRFDRF 0.0
2 RPPRFDRE 0.04
3 RRPRFDRF 0.07
4 RPKRFDRF 0.09
5 RPPRFDRD 0.09
6 RPFRFDRF 0.09
7 RRPRFDRE 0.1
8 RPPRFPRF 0.11
9 RPKRFDRE 0.12
10 RPFRFDRE 0.12
11 RRFRFDRF 0.15
12 RRKRFDRF 0.15
13 RRPRFDRD 0.15
14 RPPRFPRE 0.15
15 RPKRFDRD 0.17
16 RPFRFDRD 0.17
17 RRPRFPRF 0.18
18 RRFRFDRE 0.19
19 RRKRFDRE 0.19
20 RPFRFPRF 0.2
21 RPKRFPRF 0.2
22 RPPRFPRD 0.2
23 RPPRFKRF 0.2
24 RRPRFPRE 0.22
25 RPPRFKRE 0.23
26 RRFRFDRD 0.24
27 RRKRFDRD 0.24
28 RPFRFPRE 0.24
29 RPKRFPRE 0.24
30 RRPRFKRF 0.26
31 RPPRFDWF 0.27
32 RRPRFPRD 0.27
33 RRKRFPRF 0.27
34 RRFRFPRF 0.27
35 RPFRFKRF 0.28
36 RPPRFKRD 0.28
37 RPKRFKRF 0.28
38 RPFRFPRD 0.29
39 RPKRFPRD 0.29
40 RPPRFDWE 0.3
41 RRPRFKRE 0.3
42 RRKRFPRE 0.3
43 RRFRFPRE 0.3
44 RPFRFKRE 0.32
45 RPKRFKRE 0.32
46 RRPRFDWF 0.33
47 RPPRFDWD 0.35
48 RPKRFDWF 0.35
49 RRPRFKRD 0.35
50 RPFRFDWF 0.35
51 RRKRFKRF 0.35
52 RRFRFKRF 0.35
53 RRKRFPRD 0.35
54 RRFRFPRD 0.35
55 RRPRFDWE 0.37
56 RPFRFKRD 0.37
57 RPKRFKRD 0.37
58 RPPRFPWF 0.38
59 RRKRFKRE 0.38
60 RRFRFKRE 0.38
61 RPKRFDWE 0.39
62 RPFRFDWE 0.39
63 RPPRFPWE 0.41
64 RRPRFDWD 0.42
65 RRKRFDWF 0.42
66 RRFRFDWF 0.42
67 RPKRFDWD 0.44
68 RPFRFDWD 0.44
69 RRKRFKRD 0.44
70 RRFRFKRD 0.44
71 RRKRFDWE 0.45
72 RRPRFPWF 0.45
73 RRFRFDWE 0.45
74 RPFRFPWF 0.46
75 RPKRFPWF 0.46
76 RPPRFKWF 0.46
77 RPPRFPWD 0.47
78 RRPRFPWE 0.48
79 RPPRFKWE 0.5
80 RPFRFPWE 0.5
81 RPKRFPWE 0.5
82 RRKRFDWD 0.51
83 RRFRFDWD 0.51
84 RRFRFPWF 0.53
85 RRPRFKWF 0.53
86 RRPRFPWD 0.53
87 RRKRFPWF 0.53
88 RPKRFKWF 0.55
89 RPFRFKWF 0.55
90 RPFRFPWD 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRKRFDRE

1.46

-17.07

-15.61
2 RRKRFDRF

1.46

-16.44

-14.98
3 RPKRFPRE

1.26

-15.6

-14.34
4 RPPRFDRD

1.23

-15.27

-14.04
5 RPKRFDRE

1.1

-14.41

-13.31
6 RPPRFPRE

1.28

-14.35

-13.07
7 RRPRFDRE

1.59

-14.58

-12.99
8 RPPRFPRF

1.69

-14.59

-12.9
9 RPFRFDRE

1.45

-14.32

-12.87
10 RPPRFKRF

1.09

-13.88

-12.79
11 RPFRFDRD

1.54

-14.32

-12.78
12 RRFRFDRD

1.6

-14.26

-12.66
13 RPPRFKRE

1.06

-13.67

-12.61
14 RPPRFDRF

1.2

-13.78

-12.58
15 RPPRFPRD

1.15

-13.59

-12.44
16 RPFRFDRF

1.43

-13.76

-12.33
17 RPPRFDRE

1.21

-13.46

-12.25
18 RPFRFPRE

1.55

-13.73

-12.18
19 RPKRFDRF

1.19

-13.34

-12.15
20 RPKRFDRD

1.76

-13.79

-12.03
21 RPKRFPRF

1.2

-13.2

-12.0
22 RRPRFPRF

1.64

-13.57

-11.93
23 RRPRFPRE

2.1

-13.99

-11.89
24 RRKRFDRD

1.73

-13.56

-11.83
25 RPFRFPRF

1.09

-12.89

-11.8
26 RRPRFDRD

1.59

-13.33

-11.74
27 RRPRFDRF

1.54

-12.77

-11.23
28 RRPRFKRF

1.63

-12.74

-11.11
29 RRFRFDRF

1.45

-12.25

-10.8
30 RRFRFDRE

1.72

-12.47

-10.75

 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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