Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_1QKX-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 13.520 ΔGbinding 2.193
TOTAL
 15.713
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.232
Van der Waals -2.200 Backbone clash 0.095
Electrostatics 0.357 Helix dipole 0.000
Solvation Polar 2.611 Water bridges -0.163
Solvation Hyd -2.730 Disulfide 0.000
VdW clashes 3.095 Electrost. Kon 0.385
Entropy sc 0.108 Part.cov.bonds 0.000
Entropy mc

1.773

 ΔGstability

67.086
       

Predicted ligand sequences for model [SHO1_1QKX-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).
 
  SHO1_1QKX-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWWMGIPRRR 0.0
2 RWWMGFPRRR 0.03
3 RWWMGIPKRR 0.04
4 RWWMGYPRRR 0.06
5 RWWMGFPKRR 0.07
6 RWWMGYPKRR 0.1
7 RIWMGIPRRR 0.18
8 RWWMGIPRMR 0.21
9 RIWMGFPRRR 0.21
10 RWWMHIPRRR 0.22
11 RIWMGIPKRR 0.22
12 RIWMGYPRRR 0.24
13 RWWMHFPRRR 0.24
14 RWWMGFPRMR 0.24
15 RIWMGFPKRR 0.24
16 RWWMGIPKMR 0.25
17 RWMMGIPRRR 0.25
18 WWWMGIPRRR 0.26
19 RWWMHIPKRR 0.26
20 RWMMGFPRRR 0.27
21 RWEMGIPRRR 0.27
22 RWWMHFPKRR 0.28
23 RWWMHYPRRR 0.28
24 RWWMGFPKMR 0.28
25 RIWMGYPKRR 0.28
26 RWWMGYPRMR 0.28
27 WWWMGFPRRR 0.29
28 RWMMGIPKRR 0.29
29 RWEMGFPRRR 0.29
30 RWEMGIPKRR 0.3
31 WWWMGIPKRR 0.3
32 RWMMGYPRRR 0.31
33 RFWMGIPRRR 0.31
34 RWMMGFPKRR 0.31
35 RWWMGYPKMR 0.32
36 RWWMHYPKRR 0.32
37 RWEMGYPRRR 0.33
38 RWEMGFPKRR 0.33
39 WWWMGFPKRR 0.33
40 WWWMGYPRRR 0.33
41 RFWMGFPRRR 0.34
42 RFWMGIPKRR 0.35
43 RWMMGYPKRR 0.35
44 WWWMGYPKRR 0.36
45 RWWMGITRRR 0.36
46 RFWMGYPRRR 0.37
47 RWWIGIPRRR 0.37
48 RWEMGYPKRR 0.37
49 RFWMGFPKRR 0.38
50 RWWMGFTRRR 0.38
51 RIWMGIPRMR 0.39
52 RWWMGITKRR 0.39
53 RWWIGFPRRR 0.4
54 RIWMHIPRRR 0.4
55 RWWMGIERRR 0.4
56 RWWIGIPKRR 0.41
57 RFWMGYPKRR 0.41
58 RIWMHFPRRR 0.42
59 RWWMGYTRRR 0.42
60 RWWMGFTKRR 0.42
61 RIWMGFPRMR 0.42
62 RWWMHIPRMR 0.43
63 RWWIGYPRRR 0.43
64 RWWMGFERRR 0.43
65 RIWMGIPKMR 0.43
66 RIMMGIPRRR 0.43
67 RIWMHIPKRR 0.44
68 RWWMGIEKRR 0.44
69 WIWMGIPRRR 0.44
70 RWWIGFPKRR 0.44
71 RIEMGIPRRR 0.44
72 RIMMGFPRRR 0.45
73 RWWMGYERRR 0.46
74 RIWMGFPKMR 0.46
75 RIMMGIPKRR 0.46
76 RIWMHYPRRR 0.46
77 RWWMGYTKRR 0.46
78 RWMMHIPRRR 0.46
79 RWWMHFPRMR 0.46
80 RIWMGYPRMR 0.46
81 RWMMGIPRMR 0.46
82 RIWMHFPKRR 0.46
83 RIEMGFPRRR 0.47
84 RWWMGFEKRR 0.47
85 WIWMGFPRRR 0.47
86 RWWMHIPKMR 0.47
87 RWWIGYPKRR 0.47
88 RWEMHIPRRR 0.48
89 RWEMGIPRMR 0.48
90 WWWMGIPRMR 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RIWMGFPRRR

9.55

-7.81

1.74
2 WWWMGFPRRR

9.6

-7.48

2.12
3 RIWMGFPKRR

9.44

-7.18

2.26
4 RIWMGYPKRR

9.31

-6.78

2.53
5 RIWMGIPKRR

9.68

-7.13

2.55
6 RIWMGYPRRR

11.03

-7.89

3.14
7 RWWMGYPRRR

14.79

-11.33

3.46
8 RWEMGIPRRR

14.06

-10.33

3.73
9 WWWMGIPRRR

10.63

-6.88

3.75
10 RWMMGFPRRR

15.73

-11.33

4.4
11 RIWMGIPRRR

10.93

-6.19

4.74
12 RWWMGFPKMR

12.8

-6.9

5.9
13 RWWMGFPRMR

13.33

-7.15

6.18
14 RWEMGFPRRR

16.16

-9.91

6.25
15 RWMMGIPRRR

10.17

-3.92

6.25
16 RWWMGYPRMR

13.53

-6.97

6.56
17 RWWMGIPKRR

10.93

-3.65

7.28
18 RWWMGFPKRR

12.28

-4.84

7.44
19 RWMMGIPKRR

12.44

-4.84

7.6
20 RWWMHFPRRR

13.81

-6.15

7.66
21 RWWMHIPRRR

13.6

-5.72

7.88
22 RWWMGIPRRR

13.46

-5.55

7.91
23 RWEMGIPKRR

11.26

-3.34

7.92
24 RWWMGIPKMR

12.9

-4.72

8.18
25 RWWMGFPRRR

11.43

-3.07

8.36
26 RWWMGYPKRR

12.09

-3.25

8.84
27 RWWMGIPRMR

14.37

-5.5

8.87
28 RWWMHFPKRR

12.72

-3.37

9.35
29 RWWMHYPRRR

13.64

-4.28

9.36
30 RWWMHIPKRR

13.46

-3.76

9.7

 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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