Predicted ligand sequences


ADAN-name: 1D4W2.PDB (view again the scoring matrix)

PDB name: [1D4W.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S L T I y A Q V Q K
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
A
 A
y
 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 4.189 ΔGbinding -23.600
TOTAL
 -19.411
Backbone Hb -10.110 Cis_bond 0.000
Sidechain Hb -9.940 Torsional clash 0.470
Van der Waals -19.940 Backbone clash 2.270
Electrostatics -6.510 Helix dipole -0.100
Solvation Polar 29.960 Water bridges -0.480
Solvation Hyd -23.540 Disulfide 0.000
VdW clashes 0.550 Electrost. Kon -2.930
Entropy sc 11.250 Part.cov.bonds 0.000
Entropy mc

7.730

 ΔGstability

117.580
       

Predicted ligand sequences for template [1D4W2.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).
 
  1D4W2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yLVIyMRVWA 0.0
2 yLVIyLRVWA 0.03
3 yLVIyMRVWG 0.08
4 yLVIyMRVWs 0.1
5 yLVIyLRVWG 0.11
6 yLVIyLRVWs 0.13
7 yLVIyYRVWA 0.16
8 yLVEyMRVWA 0.21
9 yLVMyMRVWA 0.23
10 yLVIyMLVWA 0.24
11 yLVIyYRVWG 0.24
12 yLVEyLRVWA 0.24
13 yLVIyYRVWs 0.26
14 yLVMyLRVWA 0.26
15 yLVIyLLVWA 0.27
16 yLVIyMRLWA 0.28
17 yLVEyMRVWG 0.29
18 yLVIyMMVWA 0.29
19 yLVMyMRVWG 0.31
20 yLVIyLRLWA 0.31
21 yLVEyMRVWs 0.31
22 yLVIyLMVWA 0.32
23 yLVIyMLVWG 0.32
24 yLVEyLRVWG 0.32
25 yLVMyMRVWs 0.33
26 yLVIyMLVWs 0.34
27 yLVMyLRVWG 0.34
28 yLVEyLRVWs 0.34
29 yLVIyLLVWG 0.35
30 yLVIyMRLWG 0.36
31 yLVMyLRVWs 0.36
32 yLVIyMMVWG 0.37
33 yLVEyYRVWA 0.37
34 yLVIyLLVWs 0.37
35 yLVIyMRLWs 0.38
36 yLVIyLRLWG 0.39
37 yLVMyYRVWA 0.39
38 yLVIyMMVWs 0.39
39 yLVIyYLVWA 0.4
40 yLVIyLMVWG 0.4
41 yLVIyLRLWs 0.41
42 yLVIyLMVWs 0.42
43 yLVIyMRVMA 0.43
44 yLVIyYRLWA 0.44
45 yLVEyYRVWG 0.45
46 yLVIyYMVWA 0.45
47 yLVEyMLVWA 0.46
48 yLVIyLRVMA 0.46
49 yLVMyMLVWA 0.47
50 yLVMyYRVWG 0.47
51 yLVEyYRVWs 0.47
52 yLVIyYLVWG 0.48
53 yLVEyLLVWA 0.48
54 yLTIyMRVWA 0.48
55 yLVMyYRVWs 0.49
56 yLVEyMRLWA 0.49
57 yLVIyYLVWs 0.5
58 yLVMyLLVWA 0.5
59 yLVEyMMVWA 0.51
60 yLVIyMRVMG 0.51
61 yLTIyLRVWA 0.51
62 yLVMyMRLWA 0.51
63 yLVMyMMVWA 0.52
64 yLVIyYRLWG 0.52
65 yLVEyLRLWA 0.52
66 yLVIyMRVMs 0.53
67 yLVIyYMVWG 0.53
68 yLVEyLMVWA 0.53
69 yLVIyMLLWA 0.53
70 yLVIyYRLWs 0.54
71 yLVEyMLVWG 0.54
72 yLVIyLRVMG 0.54
73 yLVMyLRLWA 0.54
74 yLVIyLLLWA 0.55
75 yLVMyMLVWG 0.55
76 yLVIyYMVWs 0.55
77 yLVMyLMVWA 0.55
78 yLTIyMRVWG 0.56
79 yLVEyMLVWs 0.56
80 yLVIyLRVMs 0.56
81 yLVEyLLVWG 0.56
82 yLVMyMLVWs 0.57
83 yLVIyMMLWA 0.57
84 yLVEyMRLWG 0.57
85 yLVEyMMVWG 0.58
86 yLTIyLRVWG 0.58
87 yLVMyLLVWG 0.58
88 yLTIyMRVWs 0.58
89 yLVEyLLVWs 0.58
90 yLVMyMRLWG 0.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yLVMyLRVWA

3.26

-27.68

-24.42
2 yLVIyLMVWA

2.75

-26.33

-23.58
3 yLVMyMRVWA

4.06

-27.55

-23.49
4 yLVIyMRVWA

2.89

-26.28

-23.39
5 yLVMyLRVWG

3.78

-26.65

-22.87
6 yLVMyMRVWs

2.76

-25.52

-22.76
7 yLVIyYRVWs

3.71

-26.4

-22.69
8 yLVEyLRVWA

4.13

-26.74

-22.61
9 yLVEyMRVWA

3.36

-25.88

-22.52
10 yLVIyMRLWA

2.79

-25.19

-22.4
11 yLVEyLRVWG

3.22

-25.6

-22.38
12 yLVIyYRVWG

3.3

-25.62

-22.32
13 yLVIyMLVWs

2.8

-25.03

-22.23
14 yLVIyMRVWG

2.94

-24.78

-21.84
15 yLVIyMRLWG

4.15

-25.95

-21.8
16 yLVIyMLVWG

3.49

-25.2

-21.71
17 yLVIyLRVWs

3.58

-25.29

-21.71
18 yLVIyLRVWG

2.91

-24.4

-21.49
19 yLVIyLRVWA

2.77

-24.06

-21.29
20 yLVIyLLVWG

2.75

-23.79

-21.04
21 yLVIyMMVWA

3.29

-23.55

-20.26
22 yLVEyMRVWG

3.65

-23.79

-20.14
23 yLVEyLRVWs

2.87

-22.98

-20.11
24 yLVIyLLVWA

2.52

-22.52

-20.0
25 yLVIyYRVWA

2.96

-22.92

-19.96
26 yLVMyMRVWG

3.37

-23.22

-19.85
27 yLVIyLRLWA

4.3

-23.71

-19.41
28 yLVIyMLVWA

2.68

-22.05

-19.37
29 yLVIyMRVWs

3.64

-22.71

-19.07
30 yLVEyMRVWs

3.48

-21.75

-18.27

 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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