Predicted ligand sequences


ADAN-name: 2AZM2.PDB (view again the scoring matrix)

PDB name: [2AZM.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A s Q 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 0.878 ΔGbinding -8.451
TOTAL
 -7.573
Backbone Hb -2.163 Cis_bond 0.000
Sidechain Hb -4.238 Torsional clash 0.264
Van der Waals -5.695 Backbone clash 0.745
Electrostatics -2.816 Helix dipole -0.076
Solvation Polar 10.656 Water bridges -0.255
Solvation Hyd -6.772 Disulfide 0.000
VdW clashes 0.141 Electrost. Kon -1.268
Entropy sc 1.757 Part.cov.bonds 0.000
Entropy mc

2.015

 ΔGstability

-49.081
       

Predicted ligand sequences for template [2AZM2.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).
 
  2AZM2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KFWDW 0.0
2 KEWDW 0.0
3 FFWDW 0.23
4 FEWDW 0.23
5 EFWDW 0.24
6 KIWDW 0.25
7 EEWDW 0.25
8 IFWDW 0.29
9 IEWDW 0.29
10 KFWLW 0.36
11 KEWLW 0.36
12 KEWIW 0.41
13 KFWIW 0.41
14 KMWDW 0.44
15 KEMDW 0.46
16 KFMDW 0.46
17 FIWDW 0.48
18 EIWDW 0.49
19 IIWDW 0.54
20 FFWLW 0.58
21 FEWLW 0.59
22 EEWLW 0.6
23 EFWLW 0.6
24 KIWLW 0.61
25 FEWIW 0.64
26 IFWLW 0.64
27 FFWIW 0.64
28 EFWIW 0.65
29 IEWLW 0.65
30 EEWIW 0.65
31 KIWIW 0.66
32 FMWDW 0.67
33 EMWDW 0.68
34 FFMDW 0.69
35 FEMDW 0.69
36 IFWIW 0.69
37 EFMDW 0.7
38 IEWIW 0.7
39 KIMDW 0.71
40 EEMDW 0.71
41 IMWDW 0.73
42 IEMDW 0.75
43 IFMDW 0.75
44 KMWLW 0.8
45 KEMLW 0.82
46 KFMLW 0.82
47 FIWLW 0.83
48 EIWLW 0.85
49 KMWIW 0.85
50 KFMIW 0.87
51 KEMIW 0.87
52 IIWLW 0.89
53 FIWIW 0.89
54 EIWIW 0.9
55 KMMDW 0.9
56 FIMDW 0.94
57 IIWIW 0.94
58 EIMDW 0.95
59 IIMDW 1.0
60 FMWLW 1.02
61 EMWLW 1.04
62 FFMLW 1.04
63 FEMLW 1.05
64 EFMLW 1.06
65 EEMLW 1.06
66 KIMLW 1.07
67 FMWIW 1.08
68 IMWLW 1.08
69 EMWIW 1.09
70 FFMIW 1.1
71 FEMIW 1.1
72 IFMLW 1.1
73 IEMLW 1.11
74 EEMIW 1.11
75 EFMIW 1.11
76 KIMIW 1.12
77 FMMDW 1.13
78 IMWIW 1.13
79 EMMDW 1.14
80 IFMIW 1.15
81 IEMIW 1.16
82 IMMDW 1.19
83 KMMLW 1.26
84 FIMLW 1.29
85 EIMLW 1.31
86 KMMIW 1.31
87 FIMIW 1.35
88 IIMLW 1.35
89 EIMIW 1.36
90 IIMIW 1.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FFWIW

1.17

-9.52

-8.35
2 IIWDW

1.47

-9.04

-7.57
3 KFWIW

1.02

-8.23

-7.21
4 FFWDW

1.24

-7.57

-6.33
5 EFWIW

4.78

-7.23

-2.45
6 KFWLW

5.13

-7.49

-2.36
7 KEWLW

5.88

-6.7

-0.82
8 EEWIW

5.96

-6.74

-0.78
9 IFWLW

9.68

-2.96

6.72
10 KIWDW

3.92

3.08

7.0
11 KEWIW

6.01

1.72

7.73
12 IEWLW

4.09

4.89

8.98
13 FIWDW

4.75

4.33

9.08
14 EIWDW

5.73

3.48

9.21
15 FEWDW

6.78

2.49

9.27
16 EEWDW

5.1

4.25

9.35
17 KIWLW

5.7

3.67

9.37
18 KEMDW

5.01

4.37

9.38
19 KEWDW

6.11

3.79

9.9
20 FFWLW

7.61

3.27

10.88
21 KFMDW

1.44

10.6

12.04
22 EFWDW

9.29

3.45

12.74
23 FEWLW

7.08

5.73

12.81
24 IFWDW

5.36

8.86

14.22
25 FEWIW

1.0

13.64

14.64
26 KMWDW

1.25

13.61

14.86
27 IEWDW

8.68

7.76

16.44
28 EFWLW

9.38

7.12

16.5
29 EEWLW

8.64

8.12

16.76
30 KFWDW

10.03

6.94

16.97

 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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