Predicted ligand sequences


ADAN-name: 1QZ02.PDB (view again the scoring matrix)

PDB name: [1QZ0.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D A D E Y
position 1 2 3 4 5
poly-Ala 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 1.527 ΔGbinding -7.099
TOTAL
 -5.572
Backbone Hb -2.162 Cis_bond 0.000
Sidechain Hb -4.212 Torsional clash 0.170
Van der Waals -5.441 Backbone clash 0.052
Electrostatics -2.816 Helix dipole 0.035
Solvation Polar 9.927 Water bridges -0.220
Solvation Hyd -6.195 Disulfide 0.000
VdW clashes 0.060 Electrost. Kon -3.170
Entropy sc 4.791 Part.cov.bonds 0.000
Entropy mc

2.133

 ΔGstability

-44.061
       

Predicted ligand sequences for template [1QZ02.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).
 
  1QZ02.PDB  

(data)
# Predicted Sequences Value Calculate
1 DNDDy 0.0
2 PNDDy 0.01
3 sNDDy 0.02
4 ENDDy 0.09
5 DNDMy 0.16
6 sNDMy 0.18
7 PNDMy 0.18
8 DWDDy 0.25
9 DMDDy 0.26
10 ENDMy 0.26
11 sWDDy 0.27
12 PWDDy 0.27
13 DNDyy 0.28
14 sMDDy 0.28
15 PMDDy 0.28
16 PNDyy 0.29
17 sNDyy 0.3
18 DNDFy 0.3
19 PNDFy 0.31
20 sNDFy 0.32
21 EWDDy 0.35
22 EMDDy 0.36
23 yNDDy 0.38
24 ENDyy 0.38
25 ENDFy 0.39
26 DWDMy 0.42
27 DMDMy 0.42
28 PWDMy 0.43
29 PMDMy 0.44
30 sWDMy 0.44
31 sMDMy 0.44
32 DFDDy 0.46
33 DNDEy 0.46
34 PNDEy 0.47
35 PFDDy 0.47
36 sNDEy 0.48
37 sFDDy 0.48
38 EWDMy 0.51
39 EMDMy 0.52
40 yNDMy 0.54
41 DMDyy 0.54
42 DWDyy 0.54
43 ENDEy 0.55
44 EFDDy 0.55
45 DWDFy 0.55
46 PWDyy 0.55
47 PMDyy 0.56
48 PWDFy 0.56
49 sMDyy 0.56
50 sWDyy 0.56
51 DMDFy 0.56
52 sWDFy 0.57
53 PMDFy 0.57
54 sMDFy 0.58
55 DFDMy 0.62
56 PFDMy 0.63
57 EWDyy 0.63
58 yWDDy 0.63
59 sFDMy 0.64
60 EMDyy 0.64
61 yMDDy 0.64
62 EMDFy 0.65
63 EWDFy 0.65
64 yNDyy 0.66
65 yNDFy 0.67
66 EFDMy 0.71
67 DWDEy 0.71
68 DMDEy 0.72
69 PWDEy 0.73
70 sWDEy 0.73
71 sMDEy 0.74
72 DFDyy 0.74
73 PMDEy 0.74
74 DFDFy 0.75
75 PFDyy 0.75
76 sFDyy 0.76
77 sFDFy 0.77
78 PFDFy 0.77
79 yWDMy 0.79
80 yMDMy 0.8
81 EWDEy 0.81
82 EMDEy 0.82
83 EFDyy 0.83
84 yFDDy 0.83
85 yNDEy 0.84
86 EFDFy 0.85
87 yWDyy 0.91
88 yMDyy 0.92
89 DFDEy 0.92
90 PFDEy 0.93
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sMDDy

1.64

-8.65

-7.01
2 PMDDy

1.39

-8.21

-6.82
3 ENDFy

1.27

-8.05

-6.78
4 PNDyy

1.26

-7.73

-6.47
5 DNDDy

1.28

-7.72

-6.44
6 DNDFy

1.35

-7.67

-6.32
7 PNDFy

1.26

-7.49

-6.23
8 ENDDy

1.29

-7.44

-6.15
9 DWDDy

1.03

-7.15

-6.12
10 sWDDy

1.27

-7.36

-6.09
11 DMDDy

1.61

-7.63

-6.02
12 yNDDy

1.34

-7.26

-5.92
13 sNDFy

1.04

-6.86

-5.82
14 ENDyy

1.27

-7.02

-5.75
15 PNDDy

1.27

-6.99

-5.72
16 sNDyy

1.28

-6.91

-5.63
17 EMDDy

1.5

-7.07

-5.57
18 sNDDy

1.29

-6.85

-5.56
19 PNDMy

1.26

-6.77

-5.51
20 PWDDy

1.28

-6.57

-5.29
21 DNDyy

1.28

-6.55

-5.27
22 EWDDy

1.51

-6.74

-5.23
23 DWDMy

1.28

-6.34

-5.06
24 DMDMy

1.31

-6.31

-5.0
25 PWDMy

1.31

-6.28

-4.97
26 PMDMy

1.26

-6.06

-4.8
27 ENDMy

1.28

-5.96

-4.68
28 sWDMy

1.27

-5.91

-4.64
29 DNDMy

1.34

-5.97

-4.63
30 sNDMy

1.28

-5.38

-4.1

 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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