Predicted ligand sequences


ADAN-name: 2OQ12.PDB (view again the scoring matrix)

PDB name: [2OQ1.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G R R E E y D V L D
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
G
A
A
 A
A
y
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 1.532 ΔGbinding -18.500
TOTAL
 -16.968
Backbone Hb -3.440 Cis_bond 0.000
Sidechain Hb -5.760 Torsional clash 0.060
Van der Waals -9.390 Backbone clash 0.510
Electrostatics -9.120 Helix dipole -0.500
Solvation Polar 15.680 Water bridges -1.400
Solvation Hyd -10.320 Disulfide 0.000
VdW clashes 0.100 Electrost. Kon -5.530
Entropy sc 7.250 Part.cov.bonds 0.000
Entropy mc

3.870

 ΔGstability

39.930
       

Predicted ligand sequences for template [2OQ12.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).
 
  2OQ12.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDEEsyDWMy 0.0
2 DpEEsyDWMy 0.02
3 sDEEsyDWMy 0.02
4 DyEEsyDWMy 0.02
5 DDpEsyDWMy 0.03
6 PDEEsyDWMy 0.03
7 spEEsyDWMy 0.04
8 syEEsyDWMy 0.04
9 DDyEsyDWMy 0.04
10 sDpEsyDWMy 0.05
11 PpEEsyDWMy 0.05
12 DppEsyDWMy 0.05
13 DypEsyDWMy 0.05
14 PyEEsyDWMy 0.05
15 DpyEsyDWMy 0.06
16 PDpEsyDWMy 0.06
17 DyyEsyDWMy 0.06
18 sDyEsyDWMy 0.06
19 sppEsyDWMy 0.07
20 PDyEsyDWMy 0.07
21 sypEsyDWMy 0.07
22 spyEsyDWMy 0.08
23 syyEsyDWMy 0.08
24 PypEsyDWMy 0.08
25 PppEsyDWMy 0.08
26 PyyEsyDWMy 0.09
27 PpyEsyDWMy 0.09
28 DDEEsyEWMy 0.27
29 DDEEsyDyMy 0.29
30 DpEEsyEWMy 0.29
31 sDEEsyEWMy 0.29
32 DyEEsyEWMy 0.29
33 PDEEsyEWMy 0.3
34 DDpEsyEWMy 0.3
35 spEEsyEWMy 0.31
36 DpEEsyDyMy 0.31
37 sDEEsyDyMy 0.31
38 DDyEsyEWMy 0.31
39 syEEsyEWMy 0.31
40 DyEEsyDyMy 0.31
41 sDpEsyEWMy 0.32
42 PpEEsyEWMy 0.32
43 PDEEsyDyMy 0.32
44 DppEsyEWMy 0.32
45 DDEEsyDMMy 0.32
46 DypEsyEWMy 0.32
47 DDpEsyDyMy 0.32
48 PyEEsyEWMy 0.32
49 spEEsyDyMy 0.33
50 DpyEsyEWMy 0.33
51 DDyEsyDyMy 0.33
52 sDyEsyEWMy 0.33
53 PDpEsyEWMy 0.33
54 DyyEsyEWMy 0.33
55 syEEsyDyMy 0.33
56 DyEEsyDMMy 0.34
57 sppEsyEWMy 0.34
58 sDpEsyDyMy 0.34
59 PDyEsyEWMy 0.34
60 PyEEsyDyMy 0.34
61 DppEsyDyMy 0.34
62 DpEEsyDMMy 0.34
63 PpEEsyDyMy 0.34
64 sDEEsyDMMy 0.34
65 sypEsyEWMy 0.34
66 DypEsyDyMy 0.34
67 sDyEsyDyMy 0.35
68 spyEsyEWMy 0.35
69 DpyEsyDyMy 0.35
70 PDpEsyDyMy 0.35
71 PypEsyEWMy 0.35
72 syyEsyEWMy 0.35
73 PDEEsyDMMy 0.35
74 PppEsyEWMy 0.35
75 DyyEsyDyMy 0.35
76 DDpEsyDMMy 0.35
77 DDEssyDWMy 0.35
78 sppEsyDyMy 0.36
79 sypEsyDyMy 0.36
80 PDyEsyDyMy 0.36
81 PpyEsyEWMy 0.36
82 spEEsyDMMy 0.36
83 PyyEsyEWMy 0.36
84 DDyEsyDMMy 0.36
85 syEEsyDMMy 0.36
86 DyEssyDWMy 0.37
87 DppEsyDMMy 0.37
88 sDpEsyDMMy 0.37
89 PyEEsyDMMy 0.37
90 spyEsyDyMy 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DDyEsyDWMy

1.49

-24.71

-23.22
2 DyEEsyDWMy

1.64

-23.75

-22.11
3 DyyEsyDWMy

1.7

-23.31

-21.61
4 PpEEsyDWMy

1.7

-23.15

-21.45
5 DDEEsyDyMy

1.65

-23.09

-21.44
6 PDEEsyDWMy

1.67

-22.97

-21.3
7 spEEsyDWMy

1.81

-22.81

-21.0
8 DpEEsyDWMy

1.67

-22.04

-20.37
9 DypEsyDWMy

1.75

-21.91

-20.16
10 PpyEsyDWMy

1.81

-21.79

-19.98
11 sDpEsyDWMy

1.73

-21.69

-19.96
12 sypEsyDWMy

1.68

-21.62

-19.94
13 DppEsyDWMy

1.6

-21.35

-19.75
14 DpyEsyDWMy

1.71

-21.37

-19.66
15 syEEsyDWMy

2.77

-22.42

-19.65
16 syyEsyDWMy

1.53

-21.14

-19.61
17 sDyEsyDWMy

1.65

-21.02

-19.37
18 spyEsyDWMy

1.8

-20.94

-19.14
19 PyEEsyDWMy

1.57

-20.49

-18.92
20 PDyEsyDWMy

1.98

-20.81

-18.83
21 PypEsyDWMy

2.08

-20.88

-18.8
22 DDEEsyDWMy

1.81

-20.6

-18.79
23 DpEEsyEWMy

1.91

-20.55

-18.64
24 PppEsyDWMy

1.85

-20.42

-18.57
25 DDEEsyEWMy

1.78

-20.29

-18.51
26 PDpEsyDWMy

2.0

-20.39

-18.39
27 PyyEsyDWMy

1.91

-20.11

-18.2
28 sDEEsyDWMy

1.86

-19.71

-17.85
29 sppEsyDWMy

2.58

-20.04

-17.46
30 DDpEsyDWMy

2.72

-20.05

-17.33

 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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