Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-25.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    

(Help)

Intraclash 0.380 ΔGbinding -1.186
TOTAL
 -0.806
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.438
Van der Waals -3.876 Backbone clash 0.000
Electrostatics 0.136 Helix dipole 0.000
Solvation Polar 4.417 Water bridges -0.037
Solvation Hyd -4.971 Disulfide 0.000
VdW clashes 0.936 Electrost. Kon 0.140
Entropy sc 0.599 Part.cov.bonds 0.000
Entropy mc

2.307

 ΔGstability

8.347
       

Predicted ligand sequences for model [SHO1_2VKN-25.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-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPPRFPRR 0.0
2 RRPPRFERR 0.01
3 RRPPRKPRR 0.13
4 RRPPRKERR 0.15
5 RRPPKFPRR 0.23
6 RRPPKFERR 0.24
7 KRPPRFPRR 0.25
8 HRPPRFPRR 0.26
9 KRPPRFERR 0.27
10 HRPPRFERR 0.28
11 RRPPRFDRR 0.29
12 RRPPRLPRR 0.34
13 RRDPRFPRR 0.34
14 RRPPRLERR 0.35
15 RRDPRFERR 0.35
16 RRPPKKPRR 0.36
17 RRPPKKERR 0.37
18 KRPPRKPRR 0.38
19 HRPPRKPRR 0.39
20 KRPPRKERR 0.4
21 HRPPRKERR 0.41
22 RRPPRKDRR 0.42
23 RRPIRFPRR 0.45
24 RRPRRFPRR 0.46
25 RRPIRFERR 0.46
26 RRDPRKPRR 0.47
27 KRPPKFPRR 0.48
28 RRDPRKERR 0.48
29 RRPRRFERR 0.48
30 KRPPKFERR 0.49
31 HRPPKFPRR 0.49
32 HRPPKFERR 0.5
33 RRPPKFDRR 0.52
34 KRPPRFDRR 0.54
35 HRPPRFDRR 0.55
36 RRDPKFPRR 0.56
37 RRPPKLPRR 0.56
38 RRPIRKPRR 0.58
39 RRPPKLERR 0.58
40 RRDPKFERR 0.58
41 KRDPRFPRR 0.59
42 KRPPRLPRR 0.59
43 RRPRRKPRR 0.59
44 RRPIRKERR 0.59
45 HRDPRFPRR 0.6
46 KRDPRFERR 0.6
47 HRPPRLPRR 0.6
48 KRPPRLERR 0.6
49 KRPPKKPRR 0.61
50 HRDPRFERR 0.61
51 RRPRRKERR 0.61
52 HRPPRLERR 0.61
53 HRPPKKPRR 0.62
54 KRPPKKERR 0.62
55 RRPPRLDRR 0.62
56 HRPPKKERR 0.63
57 RRDPRFDRR 0.63
58 RRPPKKDRR 0.65
59 KRPPRKDRR 0.67
60 RRPIKFPRR 0.67
61 RRDPRLPRR 0.67
62 HRPPRKDRR 0.68
63 RRDPRLERR 0.69
64 RRPRKFPRR 0.69
65 RRPIKFERR 0.69
66 RRPRKFERR 0.7
67 RRDPKKPRR 0.7
68 KRPIRFPRR 0.7
69 RRDPKKERR 0.71
70 KRPIRFERR 0.71
71 HRPIRFPRR 0.71
72 KRPRRFPRR 0.72
73 KRDPRKPRR 0.72
74 HRPIRFERR 0.72
75 RRPIRFDRR 0.73
76 HRDPRKPRR 0.73
77 HRPRRFPRR 0.73
78 KRDPRKERR 0.73
79 KRPRRFERR 0.73
80 HRPRRFERR 0.74
81 HRDPRKERR 0.75
82 RRPRRFDRR 0.75
83 RRDPRKDRR 0.76
84 KRPPKFDRR 0.77
85 RRPIRLPRR 0.78
86 RRDIRFPRR 0.78
87 HRPPKFDRR 0.78
88 RRPRRLPRR 0.8
89 RRPIRLERR 0.8
90 RRPIKKPRR 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRPPRFERR

1.15

-11.4

-10.25
2 RRPPRFPRR

1.52

-11.39

-9.87
3 RRPPRFERR

1.36

-11.13

-9.77
4 RRPPKFPRR

1.37

-10.82

-9.45
5 RRDPRFPRR

1.83

-11.09

-9.26
6 RRDPRFERR

2.92

-12.14

-9.22
7 RRPIRFERR

1.62

-10.54

-8.92
8 KRPPKFERR

1.46

-10.32

-8.86
9 RRPIRFPRR

1.67

-10.31

-8.64
10 KRPPRKPRR

1.58

-10.08

-8.5
11 RRPRRFPRR

1.75

-10.23

-8.48
12 HRPPRKERR

1.48

-9.83

-8.35
13 KRPPKFPRR

1.71

-10.01

-8.3
14 KRPPRFPRR

2.12

-10.39

-8.27
15 RRPPRFDRR

1.45

-9.69

-8.24
16 HRPPRFPRR

1.46

-9.68

-8.22
17 RRPPKFERR

1.67

-9.82

-8.15
18 RRPPKKPRR

1.72

-9.85

-8.13
19 RRPPRLERR

1.63

-9.75

-8.12
20 RRPPRLPRR

2.4

-10.39

-7.99
21 RRPPRKPRR

1.63

-9.61

-7.98
22 RRPPRKERR

1.45

-9.42

-7.97
23 KRPPRKERR

1.65

-9.55

-7.9
24 RRPPRKDRR

1.75

-9.34

-7.59
25 RRPPKKERR

1.85

-9.17

-7.32
26 RRPRRFERR

1.5

-8.81

-7.31
27 HRPPRFERR

1.67

-8.96

-7.29
28 HRPPRKPRR

1.73

-8.93

-7.2
29 RRDPRKPRR

1.89

-8.77

-6.88
30 RRDPRKERR

2.07

-8.27

-6.2

 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