Predicted ligand sequences


ADAN-name: 1AZE2.PDB (view again the scoring matrix)

PDB name: [1AZE.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V P P P V P P R R R
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
 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 1.926 ΔGbinding -9.290
TOTAL
 -7.364
Backbone Hb -0.380 Cis_bond 0.000
Sidechain Hb -3.500 Torsional clash 0.050
Van der Waals -7.850 Backbone clash 0.610
Electrostatics -2.990 Helix dipole 0.000
Solvation Polar 9.510 Water bridges -0.310
Solvation Hyd -9.640 Disulfide 0.000
VdW clashes 0.440 Electrost. Kon -2.100
Entropy sc 5.990 Part.cov.bonds 0.000
Entropy mc

1.490

 ΔGstability

13.370
       

Predicted ligand sequences for template [1AZE2.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).
 
  1AZE2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWFPMPRMGR 0.0
2 DWFPMPHMGR 0.01
3 EWFPMPRMGR 0.03
4 WWFPMPRMGR 0.03
5 WWFPMPHMGR 0.04
6 EWFPMPHMGR 0.04
7 DWFPMPKMGR 0.05
8 DFFPMPRMGR 0.06
9 DWFPMPRMGH 0.06
10 DWFPMPHMGH 0.07
11 DFFPMPHMGR 0.08
12 WWFPMPKMGR 0.08
13 EWFPMPKMGR 0.08
14 WFFPMPRMGR 0.09
15 EWFPMPRMGH 0.09
16 EFFPMPRMGR 0.09
17 WWFPMPRMGH 0.09
18 DMFPMPRMGR 0.09
19 WWFPMPHMGH 0.1
20 EWFPMPHMGH 0.1
21 WFFPMPHMGR 0.11
22 DMFPMPHMGR 0.11
23 DWFPMPRMGK 0.11
24 DWFPMPKMGH 0.11
25 EFFPMPHMGR 0.11
26 DWFPMPHMGK 0.12
27 DFFPMPKMGR 0.12
28 DFFPMPRMGH 0.12
29 EMFPMPRMGR 0.12
30 WMFPMPRMGR 0.12
31 WMFPMPHMGR 0.14
32 DFFPMPHMGH 0.14
33 EWFPMPRMGK 0.14
34 WWFPMPKMGH 0.14
35 WWFPMPRMGK 0.14
36 EMFPMPHMGR 0.14
37 EWFPMPKMGH 0.14
38 DMFPMPKMGR 0.15
39 WFFPMPRMGH 0.15
40 EFFPMPRMGH 0.15
41 DWFDMPRMGR 0.15
42 EFFPMPKMGR 0.15
43 WFFPMPKMGR 0.15
44 WWFPMPHMGK 0.15
45 EWFPMPHMGK 0.15
46 DMFPMPRMGH 0.15
47 DWFPMPKMGK 0.16
48 WFFPMPHMGH 0.17
49 DWFDMPHMGR 0.17
50 DMFPMPHMGH 0.17
51 DFFPMPRMGK 0.17
52 EFFPMPHMGH 0.17
53 EMFPMPKMGR 0.18
54 EWFDMPRMGR 0.18
55 DFFPMPKMGH 0.18
56 WWFDMPRMGR 0.18
57 WMFPMPKMGR 0.18
58 EMFPMPRMGH 0.18
59 DWFPMPRRGR 0.18
60 WMFPMPRMGH 0.18
61 DFFPMPHMGK 0.19
62 WWFPMPKMGK 0.19
63 EWFPMPKMGK 0.19
64 EWFDMPHMGR 0.2
65 WMFPMPHMGH 0.2
66 WWFDMPHMGR 0.2
67 WFFPMPRMGK 0.2
68 EFFPMPRMGK 0.2
69 DWFPIPRMGR 0.2
70 DWFPMPHRGR 0.2
71 EMFPMPHMGH 0.2
72 DMFPMPRMGK 0.2
73 WWFPMPRRGR 0.21
74 DMFPMPKMGH 0.21
75 DWFPIPHMGR 0.21
76 DWFDMPRMGH 0.21
77 EFFPMPKMGH 0.21
78 WFFPMPKMGH 0.21
79 EWFPMPRRGR 0.21
80 DWFDMPKMGR 0.21
81 WFFPMPHMGK 0.22
82 WWFPMPHRGR 0.22
83 EWFPMPHRGR 0.22
84 DMFPMPHMGK 0.22
85 DFFDMPRMGR 0.22
86 EFFPMPHMGK 0.22
87 DFFDMPHMGR 0.23
88 WWFPIPRMGR 0.23
89 EWFPIPRMGR 0.23
90 DFFPMPKMGK 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EWFPMPRMGR

1.16

-12.15

-10.99
2 WFFPMPHMGR

0.89

-11.57

-10.68
3 DFFPMPRMGR

0.99

-11.38

-10.39
4 WWFPMPHMGH

1.0

-11.32

-10.32
5 WFFPMPRMGR

0.98

-11.22

-10.24
6 EWFPMPKMGR

1.14

-11.27

-10.13
7 DMFPMPHMGR

1.03

-11.04

-10.01
8 WWFPMPRMGR

1.0

-10.88

-9.88
9 DWFPMPRMGR

1.19

-10.91

-9.72
10 EFFPMPRMGR

1.08

-10.8

-9.72
11 DWFPMPHMGR

0.86

-10.57

-9.71
12 DWFPMPHMGH

1.2

-10.9

-9.7
13 EWFPMPRMGH

1.04

-10.68

-9.64
14 DFFPMPKMGR

0.79

-10.42

-9.63
15 DMFPMPRMGR

0.96

-10.53

-9.57
16 DWFPMPKMGR

1.18

-10.69

-9.51
17 DFFPMPHMGR

0.74

-10.25

-9.51
18 EFFPMPHMGR

1.09

-10.59

-9.5
19 DWFPMPKMGH

1.14

-10.54

-9.4
20 WWFPMPKMGR

1.0

-10.35

-9.35
21 DWFPMPRMGK

1.02

-10.36

-9.34
22 EWFPMPHMGH

1.15

-10.46

-9.31
23 DWFPMPRMGH

1.44

-10.69

-9.25
24 WWFPMPHMGR

0.95

-10.17

-9.22
25 DFFPMPRMGH

0.89

-10.1

-9.21
26 WWFPMPRMGH

1.27

-10.44

-9.17
27 EWFPMPHMGR

1.07

-10.18

-9.11
28 WMFPMPRMGR

1.19

-10.24

-9.05
29 DWFPMPHMGK

1.0

-9.9

-8.9
30 EMFPMPRMGR

1.21

-9.98

-8.77

 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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