Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_1QKX-23.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 9.777 ΔGbinding -0.721
TOTAL
 9.056
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.418
Van der Waals -3.274 Backbone clash 0.000
Electrostatics -0.077 Helix dipole 0.000
Solvation Polar 3.487 Water bridges 0.000
Solvation Hyd -4.417 Disulfide 0.000
VdW clashes 1.916 Electrost. Kon -0.070
Entropy sc 0.591 Part.cov.bonds 0.000
Entropy mc

1.981

 ΔGstability

56.397
       

Predicted ligand sequences for model [SHO1_1QKX-23.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_1QKX-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 GKIRPWM 0.0
2 GEIRPWM 0.06
3 GKIRKWM 0.07
4 GKIRRWM 0.08
5 GEIRKWM 0.13
6 GEIRRWM 0.14
7 GRIRPWM 0.18
8 GDIRPWM 0.19
9 GKIRPMM 0.2
10 GKIREWM 0.22
11 GPIRPWM 0.22
12 GRIRKWM 0.25
13 GEIRPMM 0.25
14 GRIRRWM 0.26
15 GDIRKWM 0.26
16 GEIREWM 0.27
17 GDIRRWM 0.27
18 GKIRKMM 0.27
19 GKIRRMM 0.28
20 GPIRKWM 0.29
21 GPIRRWM 0.3
22 GEIRKMM 0.32
23 GKIRPRM 0.33
24 GEIRRMM 0.33
25 GKIRPHM 0.35
26 GKIRPYM 0.37
27 GRIRPMM 0.37
28 GDIRPMM 0.38
29 GEIRPRM 0.38
30 GRIREWM 0.39
31 GEIRPHM 0.4
32 GKIRKRM 0.4
33 GDIREWM 0.41
34 GPIRPMM 0.41
35 GKIREMM 0.41
36 GKIRRRM 0.41
37 GKIRKHM 0.42
38 GKIRHWM 0.42
39 GEIRPYM 0.42
40 GPIREWM 0.43
41 GKIRRHM 0.43
42 GRIRKMM 0.44
43 GKIRKYM 0.44
44 GKIRRYM 0.45
45 GRIRRMM 0.45
46 GEIRRRM 0.46
47 GDIRKMM 0.46
48 GEIRKRM 0.46
49 GDIRRMM 0.46
50 GEIRHWM 0.47
51 GEIREMM 0.47
52 GPIRKMM 0.48
53 GEIRKHM 0.48
54 GEIRRHM 0.48
55 GPIRRMM 0.49
56 GEIRKYM 0.49
57 GEIRRYM 0.5
58 GRIRPRM 0.5
59 GRIRPHM 0.52
60 GDIRPRM 0.52
61 GRIRPYM 0.54
62 GDIRPHM 0.54
63 GPIRPRM 0.55
64 GKIRERM 0.55
65 GDIRPYM 0.55
66 GPIRPHM 0.56
67 GKIREHM 0.57
68 GPIRPYM 0.58
69 GKIREYM 0.58
70 GRIRKRM 0.58
71 GRIRRRM 0.58
72 GRIREMM 0.59
73 GRIRHWM 0.59
74 GDIRKRM 0.59
75 GDIREMM 0.6
76 GRIRRHM 0.6
77 GEIRERM 0.6
78 GRIRKHM 0.6
79 GDIRRRM 0.6
80 GDIRHWM 0.61
81 GKIRHMM 0.61
82 GDIRKHM 0.61
83 GRIRKYM 0.61
84 GDIRRHM 0.62
85 GPIRRRM 0.62
86 GPIRKRM 0.62
87 GRIRRYM 0.62
88 GEIREHM 0.62
89 GPIREMM 0.63
90 GDIRKYM 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 GDIRKWM

3.2

-3.73

-0.53
2 GDIRPWM

3.29

-3.53

-0.24
3 GRIRRWM

3.34

-3.28

0.06
4 GEIRKMM

3.32

-3.09

0.23
5 GEIREWM

3.15

-2.89

0.26
6 GRIREWM

3.53

-3.25

0.28
7 GPIRKWM

3.2

-2.85

0.35
8 GKIRPMM

3.15

-2.76

0.39
9 GDIRRWM

3.32

-2.89

0.43
10 GDIRPMM

3.34

-2.6

0.74
11 GKIREWM

4.21

-3.41

0.8
12 GKIRKWM

3.82

-2.97

0.85
13 GKIRPWM

3.98

-3.1

0.88
14 GKIRKMM

4.12

-3.15

0.97
15 GEIRKWM

4.02

-3.03

0.99
16 GEIRRMM

4.09

-3.06

1.03
17 GPIRRWM

4.09

-3.0

1.09
18 GRIRKWM

4.09

-2.86

1.23
19 GRIRPWM

4.56

-3.28

1.28
20 GEIRPMM

3.27

-1.8

1.47
21 GKIRPHM

3.11

-1.64

1.47
22 GKIRRMM

4.19

-2.69

1.5
23 GEIRRWM

4.28

-2.71

1.57
24 GPIRPWM

4.06

-2.46

1.6
25 GKIRRWM

4.32

-2.63

1.69
26 GKIRPRM

4.03

-2.3

1.73
27 GEIRPRM

4.05

-2.24

1.81
28 GKIRPYM

4.01

-2.19

1.82
29 GRIRPMM

4.02

-2.15

1.87
30 GEIRPWM

4.68

-2.64

2.04

 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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