Predicted ligand sequences


ADAN-name: 1ZUK2.PDB (view again the scoring matrix)

PDB name: [1ZUK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R G P A P P P P P H R
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
G
 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    

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Intraclash 2.307 ΔGbinding -12.250
TOTAL
 -9.943
Backbone Hb -0.090 Cis_bond 0.000
Sidechain Hb -2.760 Torsional clash 0.040
Van der Waals -6.770 Backbone clash 0.330
Electrostatics -3.110 Helix dipole 0.000
Solvation Polar 5.800 Water bridges -0.250
Solvation Hyd -9.240 Disulfide 0.000
VdW clashes 0.160 Electrost. Kon -0.890
Entropy sc 3.650 Part.cov.bonds 0.000
Entropy mc

1.220

 ΔGstability

-4.550
       

Predicted ligand sequences for template [1ZUK2.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).
 
  1ZUK2.PDB  

(data)
# Predicted Sequences Value Calculate
1 VGMDMPRIHGR 0.0
2 EGMDMPRIHGR 0.01
3 VGMEMPRIHGR 0.01
4 DGMDMPRIHGR 0.01
5 DGMEMPRIHGR 0.02
6 EGMEMPRIHGR 0.02
7 VGMDMPRIHRR 0.03
8 VGMDMPRIHKR 0.03
9 VGMEMPRIHRR 0.04
10 VGMEMPRIHKR 0.04
11 DGMDMPRIHKR 0.04
12 EGMDMPRIHKR 0.04
13 EGMDMPRIHRR 0.04
14 DGMDMPRIHRR 0.04
15 VGMDMPHIHGR 0.05
16 DGMEMPRIHKR 0.05
17 EGMEMPRIHRR 0.05
18 EGMEMPRIHKR 0.05
19 DGMEMPRIHRR 0.05
20 VGMEMPHIHGR 0.06
21 EGMDMPHIHGR 0.06
22 DGMDMPHIHGR 0.06
23 EGMEMPHIHGR 0.07
24 DGMEMPHIHGR 0.07
25 VGMDMPHIHKR 0.08
26 VGMDMPHIHRR 0.08
27 DGMDMPHIHKR 0.09
28 EGMDMPHIHRR 0.09
29 VGMEMPHIHKR 0.09
30 DGMDMPHIHRR 0.09
31 VGMEMPHIHRR 0.09
32 EGMDMPHIHKR 0.09
33 EGMEMPHIHRR 0.1
34 DGMEMPHIHRR 0.1
35 DGMEMPHIHKR 0.1
36 EGMEMPHIHKR 0.1
37 VGMDMPKIHGR 0.12
38 VGMEMPKIHGR 0.13
39 EGMDMPKIHGR 0.13
40 DGMDMPKIHGR 0.13
41 DGMEMPKIHGR 0.14
42 EGMEMPKIHGR 0.14
43 VGMDMPKIHRR 0.15
44 VGMDMPKIHKR 0.15
45 DGMDMPKIHRR 0.16
46 VGMEMPKIHRR 0.16
47 EGMDMPKIHRR 0.16
48 DGMDMPKIHKR 0.16
49 EGMDMPKIHKR 0.16
50 VGMEMPKIHKR 0.16
51 VGMDMPRIPGR 0.17
52 EGMEMPKIHKR 0.17
53 EGMEMPKIHRR 0.17
54 DGMEMPKIHRR 0.17
55 DGMEMPKIHKR 0.17
56 VGMEMPRIPGR 0.18
57 VGMPMPRIHGR 0.18
58 EGMDMPRIPGR 0.18
59 DGMDMPRIPGR 0.18
60 DGMEMPRIPGR 0.19
61 DGMPMPRIHGR 0.19
62 EGMPMPRIHGR 0.19
63 VGMDMPRIPRR 0.19
64 EGMEMPRIPGR 0.19
65 VGMDMPRIPKR 0.19
66 VGMEMPRIPKR 0.2
67 DGMDMPRIPRR 0.2
68 DGMDMPRIPKR 0.2
69 EGMDMPRIPKR 0.2
70 VGMEMPRIPRR 0.2
71 EGMDMPRIPRR 0.2
72 VGMPMPRIHRR 0.21
73 VGMPMPRIHKR 0.21
74 VGFDMPRIHGR 0.21
75 DGMEMPRIPKR 0.21
76 EGMEMPRIPRR 0.21
77 DGMEMPRIPRR 0.21
78 EGMEMPRIPKR 0.21
79 VGMDMPHIPGR 0.22
80 DGMPMPRIHKR 0.22
81 EGFDMPRIHGR 0.22
82 EGMPMPRIHRR 0.22
83 EGMPMPRIHKR 0.22
84 VGFEMPRIHGR 0.22
85 DGFDMPRIHGR 0.22
86 DGMPMPRIHRR 0.22
87 EGFEMPRIHGR 0.23
88 EGMDMPHIPGR 0.23
89 DGFEMPRIHGR 0.23
90 VGMEMPHIPGR 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 VGMDMPRIHRR

1.83

-16.06

-14.23
2 EGMEMPRIHRR

2.58

-16.29

-13.71
3 DGMEMPRIHGR

2.08

-15.62

-13.54
4 EGMDMPRIHRR

1.85

-15.12

-13.27
5 EGMDMPHIHGR

2.18

-15.1

-12.92
6 DGMDMPRIHKR

1.91

-14.67

-12.76
7 EGMDMPRIHGR

2.61

-15.36

-12.75
8 DGMEMPRIHRR

2.16

-14.68

-12.52
9 DGMDMPHIHRR

1.97

-14.48

-12.51
10 VGMDMPHIHGR

2.13

-14.63

-12.5
11 VGMEMPRIHKR

1.98

-14.29

-12.31
12 EGMEMPHIHGR

1.79

-14.03

-12.24
13 DGMEMPHIHGR

1.72

-13.92

-12.2
14 DGMEMPRIHKR

1.81

-13.64

-11.83
15 VGMDMPRIHGR

3.38

-15.15

-11.77
16 VGMDMPHIHRR

3.02

-14.77

-11.75
17 VGMEMPHIHGR

1.96

-13.64

-11.68
18 DGMDMPRIHGR

2.14

-13.72

-11.58
19 DGMDMPRIHRR

2.41

-13.89

-11.48
20 VGMEMPRIHRR

2.65

-14.09

-11.44
21 EGMEMPRIHKR

2.5

-13.94

-11.44
22 VGMDMPRIHKR

2.73

-14.05

-11.32
23 EGMDMPRIHKR

2.46

-13.76

-11.3
24 DGMDMPHIHGR

2.49

-13.69

-11.2
25 VGMEMPHIHKR

1.89

-12.85

-10.96
26 VGMEMPRIHGR

2.55

-13.24

-10.69
27 VGMDMPHIHKR

2.45

-13.1

-10.65
28 EGMDMPHIHRR

2.89

-13.26

-10.37
29 EGMEMPRIHGR

2.56

-12.47

-9.91
30 DGMDMPHIHKR

3.84

-12.34

-8.5

 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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