Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_1QKX-15.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
poly-Ala A
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 17.633 ΔGbinding 12.323
TOTAL
 29.956
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.810
Van der Waals -5.107 Backbone clash 0.276
Electrostatics 0.327 Helix dipole 0.000
Solvation Polar 5.601 Water bridges 0.000
Solvation Hyd -6.933 Disulfide 0.000
VdW clashes 12.580 Electrost. Kon 0.306
Entropy sc 0.573 Part.cov.bonds 0.000
Entropy mc

4.166

 ΔGstability

77.567
       

Predicted ligand sequences for model [SHO1_1QKX-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 TGWHIRENA 0.0
2 TGEHIRENA 0.0
3 RGEHIRENA 0.04
4 RGWHIRENA 0.04
5 TGFHIRENA 0.05
6 TGWHLRENA 0.06
7 TGEHLRENA 0.07
8 RGFHIRENA 0.09
9 RGWHLRENA 0.1
10 RGEHLRENA 0.1
11 TGFHLRENA 0.11
12 TGEMIRENA 0.12
13 TGWMIRENA 0.12
14 TGEHWRENA 0.13
15 TGWHWRENA 0.13
16 TGEHIRELA 0.14
17 TGWHIRELA 0.14
18 RGFHLRENA 0.15
19 RGWMIRENA 0.16
20 RGEMIRENA 0.16
21 RGWHWRENA 0.17
22 RGEHWRENA 0.17
23 TGFMIRENA 0.17
24 TGWHIRFNA 0.18
25 RGWHIRELA 0.18
26 TGFHWRENA 0.18
27 TGEHIRFNA 0.18
28 RGEHIRELA 0.18
29 TGEMLRENA 0.19
30 TGWMLRENA 0.19
31 TGEHIRLNA 0.19
32 TGFHIRELA 0.19
33 TGWHIRLNA 0.19
34 TGWHLRELA 0.2
35 TGWFIRENA 0.21
36 TGEHLRELA 0.21
37 RGFMIRENA 0.21
38 RGEHIRFNA 0.22
39 TGEHIREEA 0.22
40 RGWHIRLNA 0.22
41 RGWHIRFNA 0.22
42 RGWMLRENA 0.22
43 TGWHIREEA 0.22
44 RGFHWRENA 0.22
45 TGEFIRENA 0.22
46 RGEHIRLNA 0.23
47 RGEMLRENA 0.23
48 RGFHIRELA 0.23
49 TGFHIRFNA 0.23
50 TGFHIRLNA 0.24
51 RGEHLRELA 0.24
52 TGEHLRFNA 0.24
53 TGWHLRFNA 0.24
54 RGWHLRELA 0.24
55 TGFMLRENA 0.24
56 RGEFIRENA 0.25
57 TGEHLRLNA 0.25
58 TGWMWRENA 0.25
59 TGFHLRELA 0.25
60 TGWHLRLNA 0.25
61 RGWFIRENA 0.25
62 TGFFIRENA 0.26
63 RGWHIREEA 0.26
64 TGWMIRELA 0.26
65 TGEMWRENA 0.26
66 RGEHIREEA 0.26
67 TGEMIRELA 0.26
68 TGWHWRELA 0.27
69 TGEHWRELA 0.27
70 RGFMLRENA 0.27
71 RGFHIRFNA 0.27
72 RGFHIRLNA 0.27
73 TGFHIREEA 0.27
74 TGEFLRENA 0.28
75 RGWHLRFNA 0.28
76 TGWHLREEA 0.28
77 TGWFLRENA 0.28
78 GGEHIRENA 0.28
79 GGWHIRENA 0.28
80 RGEHLRFNA 0.28
81 RGWHLRLNA 0.29
82 RGWMWRENA 0.29
83 TGEHLREEA 0.29
84 RGEMWRENA 0.29
85 RGFHLRELA 0.29
86 TGFHLRFNA 0.29
87 RGEHLRLNA 0.29
88 RGWMIRELA 0.3
89 RGEMIRELA 0.3
90 RGFFIRENA 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RGWHLRENA

8.3

-4.33

3.97
2 RGWMIRENA

8.75

-4.71

4.04
3 RGEMIRENA

9.35

-5.09

4.26
4 RGWHIRENA

8.34

-3.92

4.42
5 TGEMIRENA

8.47

-3.75

4.72
6 RGWHIRELA

8.43

-3.58

4.85
7 RGEHLRENA

8.94

-3.93

5.01
8 TGWMLRENA

8.62

-3.58

5.04
9 RGFHLRENA

8.63

-3.49

5.14
10 TGFMIRENA

8.85

-3.49

5.36
11 RGEHIRENA

8.91

-3.23

5.68
12 TGFHIRENA

8.28

-2.59

5.69
13 RGEHWRENA

8.41

-2.72

5.69
14 TGWHWRENA

8.69

-2.68

6.01
15 RGWHWRENA

8.64

-2.57

6.07
16 TGWHIRELA

9.4

-3.22

6.18
17 TGWMIRENA

8.91

-2.69

6.22
18 TGWHIRFNA

8.36

-2.13

6.23
19 TGEHIRENA

8.62

-2.38

6.24
20 TGFHLRENA

8.79

-2.5

6.29
21 TGWHLRENA

8.41

-2.03

6.38
22 RGEHIRELA

8.95

-2.45

6.5
23 RGFHIRENA

9.23

-2.7

6.53
24 TGEMLRENA

8.77

-2.22

6.55
25 TGEHIRELA

8.73

-2.06

6.67
26 TGEHLRENA

8.81

-1.93

6.88
27 TGEHWRENA

8.69

-1.73

6.96
28 TGFHWRENA

9.04

-2.07

6.97
29 TGWHIRENA

8.78

-1.7

7.08
30 TGEHIRFNA

8.63

-0.97

7.66

 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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