Predicted ligand sequences


ADAN-name: 1EEO2.PDB (view again the scoring matrix)

PDB name: [1EEO.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT L E F y M D Y E
position 1 2 3 4 5 6 7 8
poly-Ala 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 3.836 ΔGbinding -20.369
TOTAL
 -16.533
Backbone Hb -7.450 Cis_bond 0.000
Sidechain Hb -7.663 Torsional clash 0.288
Van der Waals -9.976 Backbone clash 0.596
Electrostatics -3.734 Helix dipole -0.131
Solvation Polar 15.544 Water bridges -0.326
Solvation Hyd -12.558 Disulfide 0.000
VdW clashes 0.526 Electrost. Kon -1.158
Entropy sc 2.002 Part.cov.bonds 0.000
Entropy mc

4.267

 ΔGstability

-45.870
       

Predicted ligand sequences for template [1EEO2.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).
 
  1EEO2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yLyFRFYE 0.0
2 yLyFRFYW 0.04
3 yLyYRFYE 0.1
4 yLyYRFYW 0.14
5 yLyyRFYE 0.17
6 yMyFRFYE 0.17
7 yLyFRWYE 0.19
8 yLyFRFYP 0.2
9 yLyyRFYW 0.21
10 yMyFRFYW 0.21
11 yLyFRWYW 0.23
12 ILyFRFYE 0.27
13 yMyYRFYE 0.28
14 yLyFRFRE 0.28
15 yLyYRWYE 0.29
16 yLyYRFYP 0.3
17 ILyFRFYW 0.31
18 yMyYRFYW 0.32
19 yLyFRFRW 0.32
20 yLyYRWYW 0.33
21 yMyyRFYE 0.34
22 yEyFRFYE 0.35
23 yLyFRFFE 0.35
24 yMyFRWYE 0.36
25 yLyyRWYE 0.36
26 yLyyRFYP 0.37
27 yMyFRFYP 0.37
28 ILyYRFYE 0.37
29 yLyYRFRE 0.38
30 yLyFRWYP 0.38
31 yMyyRFYW 0.38
32 yLyFRFFW 0.39
33 yEyFRFYW 0.39
34 yMyFRWYW 0.4
35 yLyyRWYW 0.4
36 ILyYRFYW 0.41
37 yLyYRFRW 0.42
38 ILyyRFYE 0.44
39 IMyFRFYE 0.44
40 ILyFRWYE 0.45
41 yEyYRFYE 0.45
42 yMyFRFRE 0.45
43 yLyYRFFE 0.45
44 yLyyRFRE 0.45
45 ILyFRFYP 0.46
46 yLyFRWRE 0.46
47 yMyYRWYE 0.46
48 yMyYRFYP 0.47
49 MLyFRFYE 0.47
50 yLyFRyYE 0.47
51 yLyFRFRP 0.47
52 ILyyRFYW 0.48
53 yLyYRWYP 0.48
54 IMyFRFYW 0.48
55 ILyFRWYW 0.49
56 yEyYRFYW 0.49
57 yMyFRFRW 0.49
58 yLyYRFFW 0.49
59 yLyyRFRW 0.49
60 yMyYRWYW 0.5
61 yLyFRWRW 0.5
62 MLyFRFYW 0.51
63 yLyFRyYW 0.51
64 yEyyRFYE 0.52
65 yMyFRFFE 0.52
66 yLyyRFFE 0.52
67 yLyFRWFE 0.53
68 yEyFRWYE 0.53
69 yMyyRWYE 0.53
70 ILyFRFRE 0.54
71 yLyFRFFP 0.54
72 yEyFRFYP 0.54
73 yMyyRFYP 0.54
74 IMyYRFYE 0.54
75 ILyYRWYE 0.55
76 yMyFRWYP 0.55
77 yLyyRWYP 0.55
78 yMyYRFRE 0.55
79 yEyyRFYW 0.56
80 yMyFRFFW 0.56
81 ILyYRFYP 0.56
82 yLyYRWRE 0.56
83 yLyyRFFW 0.56
84 yLyFRWFW 0.57
85 MLyYRFYE 0.57
86 yLyYRFRP 0.57
87 yMyyRWYW 0.57
88 ILyFRFRW 0.58
89 yEyFRWYW 0.58
90 IMyYRFYW 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yLyyRFYW

3.78

-21.44

-17.66
2 yLyyRFYP

4.28

-21.47

-17.19
3 yMyYRFYW

3.49

-19.5

-16.01
4 yLyYRFYE

3.06

-19.04

-15.98
5 yMyFRFYE

3.05

-18.93

-15.88
6 yLyYRFYW

3.05

-18.88

-15.83
7 yMyYRFYE

3.06

-18.88

-15.82
8 yLyFRFYE

3.05

-18.83

-15.78
9 yMyFRFYW

3.07

-18.79

-15.72
10 yLyYRFRE

3.51

-19.19

-15.68
11 yLyyRWYE

4.54

-20.2

-15.66
12 yLyFRFYW

3.05

-18.58

-15.53
13 yLyYRWYE

3.46

-18.93

-15.47
14 yLyYRFYP

3.66

-19.08

-15.42
15 yLyFRFRE

3.08

-18.45

-15.37
16 yLyFRWYW

3.45

-18.77

-15.32
17 yMyFRFYP

3.76

-19.08

-15.32
18 yLyFRWYE

3.46

-18.73

-15.27
19 yLyFRFRW

3.54

-18.81

-15.27
20 yLyFRFYP

3.67

-18.92

-15.25
21 yLyYRWYW

3.47

-18.72

-15.25
22 yLyFRWYP

4.01

-18.96

-14.95
23 yLyFRFFE

3.45

-18.35

-14.9
24 yMyFRWYE

3.45

-18.22

-14.77
25 ILyYRFYE

3.07

-17.5

-14.43
26 ILyFRFYW

3.2

-17.34

-14.14
27 ILyFRFYE

3.16

-16.79

-13.63
28 yEyFRFYE

3.04

-16.38

-13.34
29 yLyyRFYE

3.7

-16.55

-12.85
30 yMyyRFYE

3.69

-13.16

-9.47

 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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