Predicted ligand sequences


ADAN-name: 1V182.PDB (view again the scoring matrix)

PDB name: [1V18.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A D T L L H F A T E S T P D G
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
poly-Ala A
A
A
 A A A
A
 A A
A
A
A
 A A
G

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 3.691 ΔGbinding -29.966
TOTAL
 -26.275
Backbone Hb -8.475 Cis_bond 0.000
Sidechain Hb -14.162 Torsional clash 1.744
Van der Waals -16.019 Backbone clash 0.332
Electrostatics -12.098 Helix dipole 0.128
Solvation Polar 26.484 Water bridges -0.383
Solvation Hyd -19.373 Disulfide 0.000
VdW clashes 0.914 Electrost. Kon -4.176
Entropy sc 8.381 Part.cov.bonds 0.000
Entropy mc

7.070

 ΔGstability

-115.387
       

Predicted ligand sequences for template [1V182.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).
 
  1V182.PDB  

(data)
# Predicted Sequences Value Calculate
1 EDEyTNFFFEDyDDR 0.0
2 EDEyINFFFEDyDDR 0.01
3 EDEyTNFFVEDyDDR 0.01
4 EDEyINFFVEDyDDR 0.02
5 EDELTNFFFEDyDDR 0.08
6 EDELTNFFVEDyDDR 0.09
7 EDELINFFFEDyDDR 0.1
8 EDEyLNFFFEDyDDR 0.1
9 EDELINFFVEDyDDR 0.1
10 EDEyLNFFVEDyDDR 0.11
11 EDEyTNSFFEDyDDR 0.12
12 EDEyTNSFVEDyDDR 0.13
13 EDEyTNFFFEDyDsR 0.13
14 EDEyINSFFEDyDDR 0.14
15 EDEyINSFVEDyDDR 0.14
16 EDEyTNFFVEDyDsR 0.14
17 EDEyINFFVEDyDsR 0.15
18 EDEyINFFFEDyDsR 0.15
19 EDELLNFFFEDyDDR 0.18
20 EDELLNFFVEDyDDR 0.19
21 EDEyTNFFFEDyDER 0.19
22 EDEyTNFFVEDyDER 0.2
23 EDELTNSFFEDyDDR 0.2
24 EDEyINFFFEDyDER 0.2
25 EDEyTNFFVEsyDDR 0.21
26 EDELTNFFFEDyDsR 0.21
27 EDELTNSFVEDyDDR 0.21
28 EDEyTNFFFEsyDDR 0.21
29 EDEyINFFVEDyDER 0.21
30 EDELINSFFEDyDDR 0.22
31 EDELINSFVEDyDDR 0.22
32 EDEyINFFFEsyDDR 0.22
33 EDEyLNSFFEDyDDR 0.22
34 EDELTNFFVEDyDsR 0.22
35 EDEyINFFVEsyDDR 0.23
36 EDEyLNSFVEDyDDR 0.23
37 EDEyLNFFFEDyDsR 0.23
38 EDELINFFVEDyDsR 0.23
39 EDELINFFFEDyDsR 0.23
40 EDEyLNFFVEDyDsR 0.24
41 EDEyTNSFFEDyDsR 0.25
42 EDEyTNSFVEDyDsR 0.26
43 EDEyINSFVEDyDsR 0.27
44 EDEyINSFFEDyDsR 0.27
45 EDEyTNFFIEDyDDR 0.27
46 EDELTNFFFEDyDER 0.27
47 EDEyINFFIEDyDDR 0.28
48 EDELTNFFVEDyDER 0.28
49 DDEyTNFFFEDyDDR 0.28
50 EDELINFFVEDyDER 0.29
51 EDEyTNFRFEDyDDR 0.29
52 DDEyTNFFVEDyDDR 0.29
53 EDELINFFFEDyDER 0.29
54 EDELTNFFFEsyDDR 0.29
55 EDEyLNFFFEDyDER 0.29
56 EDEyLNFFVEDyDER 0.3
57 DDEyINFFVEDyDDR 0.3
58 EDEyTNFRVEDyDDR 0.3
59 EDELINFFFEsyDDR 0.3
60 EDEyTNFHVEDyDDR 0.3
61 EDEyTNFHFEDyDDR 0.3
62 EDELTNFFVEsyDDR 0.3
63 EDELLNSFFEDyDDR 0.3
64 DDEyINFFFEDyDDR 0.3
65 EDELLNSFVEDyDDR 0.31
66 EDEyTNSFFEDyDER 0.31
67 EDEyINFRFEDyDDR 0.31
68 EDEyLNFFVEsyDDR 0.31
69 EDELINFFVEsyDDR 0.31
70 EDELLNFFFEDyDsR 0.31
71 EDEyLNFFFEsyDDR 0.31
72 EDEyINFHFEDyDDR 0.31
73 EDEyTNSFVEDyDER 0.32
74 EDEyINFRVEDyDDR 0.32
75 EDEyINFHVEDyDDR 0.32
76 EDELLNFFVEDyDsR 0.32
77 EDEyINSFFEDyDER 0.32
78 EDEyTNFFFEDysDR 0.32
79 EDEyTNFFVEDysDR 0.32
80 EDELTNSFFEDyDsR 0.33
81 EDEyTNSFFEsyDDR 0.33
82 EDEyTNSFVEsyDDR 0.33
83 EDEyINSFVEDyDER 0.33
84 EDEyINFFFEDysDR 0.33
85 EDELTNSFVEDyDsR 0.34
86 EDEyINSFFEsyDDR 0.34
87 EDEyTNFFFEsyDsR 0.34
88 EDEyTNFFVEsyDsR 0.34
89 EDEyINFFVEDysDR 0.34
90 EDELTNFFIEDyDDR 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EDELLNFFVEDyDDR

3.62

-30.53

-26.91
2 EDEyINFFVEDyDsR

3.85

-30.23

-26.38
3 EDELLNFFFEDyDDR

4.08

-29.96

-25.88
4 EDEyTNFFVEDyDDR

4.46

-30.23

-25.77
5 EDEyINFFVEDyDDR

3.53

-29.1

-25.57
6 EDELINFFFEDyDDR

3.65

-29.02

-25.37
7 EDEyINSFFEDyDDR

3.3

-28.65

-25.35
8 EDEyTNSFVEDyDDR

4.05

-29.37

-25.32
9 EDELINSFFEDyDDR

3.3

-28.17

-24.87
10 EDELTNFFVEDyDDR

3.77

-28.45

-24.68
11 EDEyTNFFVEDyDER

4.11

-28.57

-24.46
12 EDELTNFFFEDyDDR

5.17

-29.52

-24.35
13 EDEyTNFFFEsyDDR

3.87

-28.09

-24.22
14 EDELINFFVEDyDDR

3.94

-28.04

-24.1
15 EDEyLNFFFEDyDDR

4.63

-28.3

-23.67
16 EDELTNSFFEDyDDR

3.61

-27.26

-23.65
17 EDEyLNFFVEDyDDR

4.39

-27.84

-23.45
18 EDEyTNSFFEDyDDR

4.37

-27.76

-23.39
19 EDEyINSFVEDyDDR

4.69

-27.63

-22.94
20 EDEyTNFFVEsyDDR

3.95

-26.56

-22.61
21 EDEyINFFFEDyDER

4.18

-26.7

-22.52
22 EDEyINFFVEDyDER

4.45

-26.71

-22.26
23 EDELTNFFFEDyDsR

4.67

-26.89

-22.22
24 EDEyTNFFFEDyDER

4.03

-26.12

-22.09
25 EDELTNSFVEDyDDR

4.15

-25.77

-21.62
26 EDEyINFFFEDyDDR

3.83

-25.38

-21.55
27 EDEyTNFFVEDyDsR

5.39

-26.48

-21.09
28 EDEyINFFFEDyDsR

4.32

-25.01

-20.69
29 EDEyTNFFFEDyDDR

5.14

-25.05

-19.91
30 EDEyTNFFFEDyDsR

6.42

-26.1

-19.68

 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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