Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_1QKX-12.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    

(Help)

Intraclash 10.396 ΔGbinding -0.029
TOTAL
 10.367
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.457
Van der Waals -2.758 Backbone clash 0.000
Electrostatics 0.176 Helix dipole 0.000
Solvation Polar 2.534 Water bridges 0.000
Solvation Hyd -3.973 Disulfide 0.000
VdW clashes 2.162 Electrost. Kon 0.153
Entropy sc 0.182 Part.cov.bonds 0.000
Entropy mc

1.037

 ΔGstability

55.630
       

Predicted ligand sequences for model [SHO1_1QKX-12.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-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWGLRRNR 0.0
2 RWGMRRNR 0.09
3 RWGLRRRR 0.1
4 RWGLRRNK 0.11
5 RYGLRRNR 0.13
6 RWGLPRNR 0.13
7 RWGFRRNR 0.16
8 RWFLRRNR 0.19
9 RWGMRRRR 0.19
10 RWGMRRNK 0.2
11 RWGLRRNF 0.2
12 RWGLRRRK 0.21
13 RWGLRRKR 0.21
14 RWGMPRNR 0.22
15 RYGLRRRR 0.23
16 RWGLPRRR 0.23
17 RYGMRRNR 0.23
18 RWGLPRNK 0.24
19 RYGLRRNK 0.24
20 RWGFRRRR 0.26
21 RYGLPRNR 0.26
22 RWGLKRNR 0.27
23 RWGFRRNK 0.27
24 RWGFPRNR 0.29
25 RWFMRRNR 0.29
26 RWGMRRNF 0.29
27 RWFLRRRR 0.29
28 RYGFRRNR 0.29
29 RWGMRRKR 0.3
30 RWFLRRNK 0.3
31 RWGLRRRF 0.3
32 RWGMRRRK 0.3
33 RWFLPRNR 0.32
34 RYGMRRRR 0.32
35 RWGMPRRR 0.32
36 RWGLRRKK 0.32
37 RYGMRRNK 0.33
38 RWGLPRRK 0.33
39 RWGMPRNK 0.33
40 RWGLPRNF 0.33
41 RYFLRRNR 0.33
42 RYGLRRNF 0.33
43 RYGLRRRK 0.34
44 RWGLPRKR 0.34
45 RYGLRRKR 0.34
46 RWFFRRNR 0.35
47 RYGMPRNR 0.35
48 RYGLPRRR 0.36
49 RWGLKRRR 0.36
50 RWGFRRRK 0.36
51 RWGFRRNF 0.36
52 RWGMKRNR 0.36
53 RWGFRRKR 0.37
54 RWGLKRNK 0.37
55 RYGLPRNK 0.37
56 RWFMRRRR 0.38
57 RWFLRRNF 0.39
58 RYGFRRRR 0.39
59 RWFMRRNK 0.39
60 RWGFPRRR 0.39
61 RWGMRRRF 0.39
62 RWGFPRNK 0.4
63 RYGLKRNR 0.4
64 RWFLRRRK 0.4
65 RYGFRRNK 0.4
66 RWFLRRKR 0.4
67 RWGMRRKK 0.41
68 YWGLRRNR 0.41
69 RWFMPRNR 0.41
70 RWGLRRKF 0.41
71 RYGFPRNR 0.42
72 RWGMPRNF 0.42
73 RYFMRRNR 0.42
74 RWFLPRRR 0.42
75 RWGMPRRK 0.42
76 RWFLPRNK 0.43
77 RYGLRRRF 0.43
78 RYGMRRRK 0.43
79 RWGLPRRF 0.43
80 RYGMRRKR 0.43
81 RYFLRRRR 0.43
82 RYFLRRNK 0.43
83 RWGFKRNR 0.43
84 RYGMRRNF 0.43
85 RWGMPRKR 0.43
86 FWGLRRNR 0.44
87 RWGLPRKK 0.44
88 RWFFRRRR 0.45
89 RYGMPRRR 0.45
90 RYGLRRKK 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWGLRRNF

8.58

-6.02

2.56
2 RWFLRRNR

10.04

-7.44

2.6
3 RWGMRRKR

8.68

-5.89

2.79
4 RWGLRRRK

9.34

-6.5

2.84
5 RWGFRRNR

8.15

-5.27

2.88
6 RWGLPRNK

8.18

-5.27

2.91
7 RWGMPRNR

8.71

-5.76

2.95
8 RWGLPRNR

8.2

-5.17

3.03
9 RWGFPRNR

8.63

-5.59

3.04
10 RYGMRRNR

9.09

-5.99

3.1
11 RWGMRRNK

8.53

-5.41

3.12
12 RWGMRRNR

8.9

-5.69

3.21
13 RWGMRRRR

9.78

-6.51

3.27
14 RWGLPRRR

9.49

-6.16

3.33
15 RWFLRRRR

9.29

-5.91

3.38
16 RYGLPRNR

9.06

-5.64

3.42
17 RWGFRRRR

9.02

-5.56

3.46
18 RWGLRRRR

9.22

-5.76

3.46
19 RWGMRRNF

8.86

-5.34

3.52
20 RWGLKRNR

8.69

-5.15

3.54
21 RWGLRRNR

9.24

-5.45

3.79
22 RYGLRRNK

8.49

-4.52

3.97
23 RYGLRRRR

9.87

-5.82

4.05
24 RWGLRRKR

10.4

-6.25

4.15
25 RWGLRRNK

8.52

-4.15

4.37
26 RWGFRRNK

8.04

-3.66

4.38
27 RYGFRRNR

8.16

-3.38

4.78
28 RWFLRRNK

10.99

-5.26

5.73
29 RYGLRRNR

8.33

-1.25

7.08
30 RWFMRRNR

12.83

-4.52

8.31

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER