Predicted ligand sequences


ADAN-name: 1XXP2.PDB (view again the scoring matrix)

PDB name: [1XXP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A D E y
position 1 2 3 4
poly-Ala
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 1.523 ΔGbinding -6.839
TOTAL
 -5.316
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -6.162 Torsional clash 0.281
Van der Waals -5.338 Backbone clash 0.667
Electrostatics -5.380 Helix dipole 0.124
Solvation Polar 11.539 Water bridges -0.500
Solvation Hyd -5.293 Disulfide 0.000
VdW clashes 0.442 Electrost. Kon -4.116
Entropy sc 5.199 Part.cov.bonds 0.000
Entropy mc

3.253

 ΔGstability

39.476
       

Predicted ligand sequences for template [1XXP2.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).
 
  1XXP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HDFy 0.0
2 HEFy 0.39
3 HDYy 0.51
4 HLFy 0.56
5 yDFy 0.57
6 HNFy 0.61
7 HsFy 0.64
8 EDFy 0.7
9 sDFy 0.73
10 PDFy 0.8
11 HEYy 0.89
12 yEFy 0.96
13 HDMy 0.97
14 HDWy 1.07
15 HLYy 1.07
16 yDYy 1.08
17 EEFy 1.09
18 HNYy 1.12
19 sEFy 1.12
20 yLFy 1.14
21 HsYy 1.15
22 yNFy 1.19
23 PEFy 1.19
24 EDYy 1.21
25 ysFy 1.22
26 sDYy 1.23
27 ELFy 1.27
28 sLFy 1.29
29 PDYy 1.3
30 ENFy 1.32
31 sNFy 1.34
32 EsFy 1.35
33 PLFy 1.36
34 HEMy 1.36
35 ssFy 1.37
36 PNFy 1.41
37 PsFy 1.44
38 HEWy 1.46
39 yEYy 1.47
40 HLMy 1.53
41 yDMy 1.54
42 HNMy 1.58
43 EEYy 1.6
44 HsMy 1.61
45 sEYy 1.62
46 HLWy 1.63
47 yDWy 1.64
48 yLYy 1.64
49 EDMy 1.67
50 HNWy 1.68
51 yNYy 1.69
52 PEYy 1.69
53 sDMy 1.7
54 HsWy 1.71
55 ysYy 1.72
56 ELYy 1.77
57 EDWy 1.77
58 PDMy 1.77
59 sLYy 1.79
60 sDWy 1.79
61 ENYy 1.82
62 sNYy 1.85
63 EsYy 1.85
64 PDWy 1.86
65 PLYy 1.86
66 ssYy 1.88
67 PNYy 1.92
68 yEMy 1.93
69 PsYy 1.95
70 yEWy 2.03
71 EEMy 2.06
72 sEMy 2.09
73 yLMy 2.11
74 PEMy 2.15
75 yNMy 2.16
76 EEWy 2.16
77 sEWy 2.18
78 ysMy 2.19
79 yLWy 2.2
80 ELMy 2.23
81 PEWy 2.25
82 yNWy 2.25
83 sLMy 2.26
84 ysWy 2.28
85 ENMy 2.29
86 sNMy 2.31
87 EsMy 2.32
88 PLMy 2.33
89 ELWy 2.33
90 ssMy 2.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HDWy

1.37

-3.99

-2.62
2 HDFy

1.26

-3.85

-2.59
3 HDMy

1.37

-3.19

-1.82
4 sEFy

1.54

-2.51

-0.97
5 PDYy

1.68

-2.02

-0.34
6 yDYy

1.75

-1.77

-0.02
7 sDYy

1.73

-1.48

0.25
8 EDFy

1.42

-1.1

0.32
9 HNYy

1.28

-0.94

0.34
10 EEFy

1.29

-0.85

0.44
11 EDYy

1.3

-0.77

0.53
12 yDFy

1.44

-0.78

0.66
13 PEFy

1.56

-0.36

1.2
14 HEFy

1.48

-0.07

1.41
15 HsFy

1.36

0.05

1.41
16 sDFy

1.59

-0.18

1.41
17 PDFy

1.43

0.11

1.54
18 ysFy

1.36

0.19

1.55
19 HDYy

1.4

0.22

1.62
20 HNFy

1.33

0.42

1.75
21 yLFy

1.79

0.1

1.89
22 ENFy

1.74

0.31

2.05
23 HsYy

1.41

0.78

2.19
24 sLFy

2.16

0.16

2.32
25 yNFy

1.44

1.03

2.47
26 ELFy

1.78

0.7

2.48
27 yEFy

1.78

1.0

2.78
28 HLFy

1.8

1.05

2.85
29 HEYy

1.47

1.63

3.1
30 HLYy

1.42

2.59

4.01

 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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