Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-2.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
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 2.094 ΔGbinding -2.752
TOTAL
 -0.658
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.027
Van der Waals -4.870 Backbone clash 0.060
Electrostatics -0.229 Helix dipole 0.000
Solvation Polar 5.373 Water bridges 0.000
Solvation Hyd -6.895 Disulfide 0.000
VdW clashes 0.828 Electrost. Kon -0.306
Entropy sc 0.772 Part.cov.bonds 0.000
Entropy mc

2.823

 ΔGstability

5.920
       

Predicted ligand sequences for model [MYO5_1VA7-2.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).
 
  MYO5_1VA7-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FKKRMFRERW 0.0
2 FKRRMFRERW 0.01
3 FKPRMFRERW 0.05
4 FKMRMFRERW 0.07
5 FKKRMFRDRW 0.09
6 FKRRMFRDRW 0.1
7 FKPRMFRDRW 0.14
8 FKMRMFRDRW 0.16
9 FKRRDFRERW 0.18
10 FKKRDFRERW 0.18
11 FKKRRFRERW 0.21
12 FKRRRFRERW 0.22
13 FKPRDFRERW 0.23
14 FKMRDFRERW 0.25
15 FKPRRFRERW 0.26
16 FKKRDFRDRW 0.27
17 FKKRKFRERW 0.27
18 FKRRKFRERW 0.27
19 FKRRDFRDRW 0.28
20 FKMRRFRERW 0.28
21 FKKRRFRDRW 0.3
22 FKRRRFRDRW 0.31
23 FKPRDFRDRW 0.32
24 FKPRKFRERW 0.32
25 FKMRKFRERW 0.33
26 FKMRDFRDRW 0.34
27 FKPRRFRDRW 0.35
28 HKKRMFRERW 0.36
29 FKRRKFRDRW 0.36
30 HKRRMFRERW 0.36
31 FKKRKFRDRW 0.36
32 FKMRRFRDRW 0.37
33 FKKRMFRPRW 0.39
34 FKRRMFRPRW 0.39
35 HKPRMFRERW 0.41
36 FKPRKFRDRW 0.41
37 FKMRKFRDRW 0.42
38 HKMRMFRERW 0.43
39 FKPRMFRPRW 0.44
40 HKKRMFRDRW 0.45
41 HKRRMFRDRW 0.46
42 FKMRMFRPRW 0.46
43 FKKRMFRKRW 0.47
44 FKRRMFRKRW 0.47
45 HKPRMFRDRW 0.5
46 FKPRMFRKRW 0.52
47 HKMRMFRDRW 0.52
48 HKKRDFRERW 0.54
49 FKMRMFRKRW 0.54
50 HKRRDFRERW 0.54
51 HKKRRFRERW 0.57
52 FKRRDFRPRW 0.57
53 FKKRDFRPRW 0.57
54 HKRRRFRERW 0.58
55 HKPRDFRERW 0.59
56 FKKRRFRPRW 0.6
57 FKRRRFRPRW 0.6
58 HKMRDFRERW 0.61
59 HKPRRFRERW 0.62
60 FKPRDFRPRW 0.62
61 HKKRDFRDRW 0.63
62 HKRRKFRERW 0.63
63 HKKRKFRERW 0.63
64 HKMRRFRERW 0.64
65 HKRRDFRDRW 0.64
66 FKMRDFRPRW 0.64
67 FKRRDFRKRW 0.65
68 FKPRRFRPRW 0.65
69 FKKRKFRPRW 0.65
70 FKKRDFRKRW 0.65
71 FKRRKFRPRW 0.66
72 HKKRRFRDRW 0.66
73 FKMRRFRPRW 0.67
74 HKRRRFRDRW 0.67
75 HKPRDFRDRW 0.68
76 FKKRRFRKRW 0.68
77 HKPRKFRERW 0.68
78 FKRRRFRKRW 0.69
79 HKMRKFRERW 0.69
80 FKPRDFRKRW 0.7
81 FKPRKFRPRW 0.7
82 HKMRDFRDRW 0.7
83 HKPRRFRDRW 0.71
84 HKRRKFRDRW 0.72
85 HKKRKFRDRW 0.72
86 FKMRKFRPRW 0.72
87 FKMRDFRKRW 0.72
88 FKKRKFRKRW 0.73
89 FKPRRFRKRW 0.73
90 HKMRRFRDRW 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FKRRDFRDRW

3.73

-5.9

-2.17
2 FKRRRFRDRW

3.91

-6.05

-2.14
3 HKRRMFRERW

2.95

-5.08

-2.13
4 FKRRKFRERW

2.8

-4.72

-1.92
5 FKRRMFRERW

3.54

-5.28

-1.74
6 FKRRKFRDRW

3.92

-5.39

-1.47
7 HKKRMFRERW

3.73

-4.76

-1.03
8 FKPRDFRERW

3.45

-4.41

-0.96
9 FKRRMFRDRW

3.42

-4.37

-0.95
10 FKKRKFRERW

3.68

-4.22

-0.54
11 FKMRDFRDRW

2.98

-3.5

-0.52
12 FKMRDFRERW

3.7

-4.18

-0.48
13 FKRRDFRERW

3.59

-4.04

-0.45
14 FKPRRFRERW

3.02

-3.35

-0.33
15 FKKRDFRERW

3.1

-3.37

-0.27
16 FKMRMFRERW

3.63

-3.77

-0.14
17 FKKRDFRDRW

3.91

-4.03

-0.12
18 FKMRMFRDRW

3.29

-3.23

0.06
19 FKKRRFRERW

3.86

-3.78

0.08
20 FKKRMFRDRW

3.03

-2.89

0.14
21 FKMRKFRERW

3.79

-3.65

0.14
22 FKPRMFRDRW

2.73

-2.57

0.16
23 FKPRMFRERW

3.15

-2.86

0.29
24 FKPRKFRERW

3.77

-3.14

0.63
25 FKKRRFRDRW

5.46

-4.81

0.65
26 FKPRDFRDRW

5.14

-4.12

1.02
27 FKRRRFRERW

4.63

-3.1

1.53
28 FKPRRFRDRW

5.22

-3.12

2.1
29 FKMRRFRERW

5.24

-2.75

2.49
30 FKKRMFRERW

5.83

-1.57

4.26

 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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