Predicted ligand sequences


ADAN-name: 1T152.PDB (view again the scoring matrix)

PDB name: [1T15.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S T s P T F N K
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 3.084 ΔGbinding -10.942
TOTAL
 -7.858
Backbone Hb -3.900 Cis_bond 0.000
Sidechain Hb -4.700 Torsional clash 0.448
Van der Waals -7.923 Backbone clash 0.137
Electrostatics -2.264 Helix dipole -0.069
Solvation Polar 13.020 Water bridges 0.043
Solvation Hyd -10.218 Disulfide 0.000
VdW clashes 0.134 Electrost. Kon -0.947
Entropy sc 1.528 Part.cov.bonds 0.000
Entropy mc

3.905

 ΔGstability

-9.746
       

Predicted ligand sequences for template [1T152.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).
 
  1T152.PDB  

(data)
# Predicted Sequences Value Calculate
1 yyEMRMWR 0.0
2 yyEHRMWR 0.07
3 yyEWRMWR 0.2
4 yyEMRMWY 0.21
5 yyEMRMLR 0.28
6 yyEHRMWY 0.28
7 yyEFRMWR 0.32
8 yyEMRMWF 0.33
9 yyEHRMLR 0.34
10 yyEHRMWF 0.39
11 yyEMRMMR 0.4
12 yyEMMMWR 0.4
13 yyEWRMWY 0.41
14 yyEyRMWR 0.42
15 yyEHMMWR 0.47
16 yyEHRMMR 0.47
17 yyEWRMLR 0.47
18 yyEMRMLY 0.49
19 yyEWRMWF 0.52
20 yyEFRMWY 0.53
21 yyEHRMLY 0.55
22 yyEWRMMR 0.59
23 yyEMRMLF 0.6
24 yyEFRMLR 0.6
25 yyEWMMWR 0.6
26 yyEMRMMY 0.61
27 yyEMMMWY 0.61
28 yyEyRMWY 0.63
29 yyEFRMWF 0.65
30 yyEHRMLF 0.67
31 yyEHMMWY 0.68
32 yyEMMMLR 0.68
33 yyEHRMMY 0.68
34 yyEWRMLY 0.68
35 yyEyRMLR 0.7
36 yyEFRMMR 0.72
37 yyEFMMWR 0.72
38 yyEMRMMF 0.73
39 yyEMMMWF 0.73
40 yyEHMMLR 0.74
41 yyEyRMWF 0.75
42 yyEHRMMF 0.79
43 yyEHMMWF 0.8
44 yyEMMMMR 0.8
45 yyEWRMLF 0.8
46 yyEFRMLY 0.81
47 yyEWMMWY 0.81
48 yyEWRMMY 0.81
49 yyEyMMWR 0.82
50 yyEyRMMR 0.82
51 yyEHMMMR 0.87
52 yyEWMMLR 0.87
53 yyEMMMLY 0.89
54 yyEyRMLY 0.91
55 yyEFRMLF 0.92
56 yyEWRMMF 0.92
57 yyEFRMMY 0.93
58 yyEFMMWY 0.93
59 yyEWMMWF 0.93
60 yyEHMMLY 0.95
61 yyEFMMLR 1.0
62 yyEWMMMR 1.0
63 yyEMMMMY 1.01
64 yyEMMMLF 1.01
65 yyEyRMLF 1.02
66 yyEyRMMY 1.03
67 yyEyMMWY 1.04
68 yyEFRMMF 1.05
69 yyEFMMWF 1.05
70 yyEHMMLF 1.07
71 yyEHMMMY 1.08
72 yyEWMMLY 1.09
73 yyEyMMLR 1.1
74 yyEFMMMR 1.12
75 yyEMMMMF 1.13
76 yyEyMMWF 1.15
77 yyEyRMMF 1.15
78 yyEHMMMF 1.2
79 yyEWMMLF 1.2
80 yyEFMMLY 1.21
81 yyEWMMMY 1.21
82 yyEyMMMR 1.22
83 yyEyMMLY 1.31
84 yyEFMMLF 1.33
85 yyEWMMMF 1.33
86 yyEFMMMY 1.34
87 yyEyMMLF 1.43
88 yyEyMMMY 1.44
89 yyEFMMMF 1.45
90 yyEyMMMF 1.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yyEHRMWY

3.47

-18.12

-14.65
2 yyEHRMWR

3.67

-18.04

-14.37
3 yyEMMMWR

4.46

-18.0

-13.54
4 yyEWRMLR

3.28

-16.12

-12.84
5 yyEWRMMR

3.19

-16.0

-12.81
6 yyEWMMWR

3.87

-16.12

-12.25
7 yyEyRMWR

3.81

-16.06

-12.25
8 yyEHMMWR

3.47

-15.43

-11.96
9 yyEWRMWF

3.17

-15.05

-11.88
10 yyEHRMLF

3.07

-14.89

-11.82
11 yyEFRMWR

3.22

-15.02

-11.8
12 yyEMRMWY

3.36

-14.91

-11.55
13 yyEMMMWY

3.9

-15.45

-11.55
14 yyEHRMWF

3.72

-15.25

-11.53
15 yyEHRMMR

3.06

-14.49

-11.43
16 yyEMRMWF

4.67

-15.94

-11.27
17 yyEFRMLR

3.1

-14.3

-11.2
18 yyEFRMWY

3.45

-14.5

-11.05
19 yyEyRMWY

3.23

-14.22

-10.99
20 yyEWRMWY

3.17

-13.75

-10.58
21 yyEMRMMR

4.28

-14.8

-10.52
22 yyEHRMLY

3.16

-13.5

-10.34
23 yyEWRMWR

3.26

-13.6

-10.34
24 yyEMRMLR

3.96

-14.19

-10.23
25 yyEMRMLF

4.03

-14.12

-10.09
26 yyEHRMLR

3.36

-13.37

-10.01
27 yyEMRMMY

3.61

-13.33

-9.72
28 yyEMRMWR

4.34

-14.02

-9.68
29 yyEFRMWF

3.16

-12.46

-9.3
30 yyEMRMLY

4.21

-12.75

-8.54

 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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