Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-13.PDB (view again the scoring matrix)

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

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 1.495 ΔGbinding -1.558
TOTAL
 -0.063
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.768
Van der Waals -3.748 Backbone clash 0.192
Electrostatics 0.102 Helix dipole 0.000
Solvation Polar 4.088 Water bridges -0.011
Solvation Hyd -4.836 Disulfide 0.000
VdW clashes 0.268 Electrost. Kon 0.114
Entropy sc 0.597 Part.cov.bonds 0.000
Entropy mc

2.374

 ΔGstability

9.322
       

Predicted ligand sequences for model [MYO5_1VA7-13.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_1VA7-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 WKPFFWRH 0.0
2 WKRFFWRH 0.07
3 WKKFFWRH 0.1
4 WLPFFWRH 0.18
5 WKPFPWRH 0.22
6 WKPFFPRH 0.24
7 WLRFFWRH 0.26
8 WKPFFWRW 0.27
9 WLKFFWRH 0.28
10 WDPFFWRH 0.29
11 WKRFPWRH 0.29
12 WKRFFPRH 0.31
13 WKKFPWRH 0.32
14 WKKFFPRH 0.34
15 WKRFFWRW 0.35
16 WKPFFWRR 0.35
17 WDRFFWRH 0.37
18 WKKFFWRW 0.37
19 WLPFPWRH 0.4
20 WDKFFWRH 0.4
21 WKRFFWRR 0.42
22 WLPFFPRH 0.42
23 WKKFFWRR 0.45
24 WLPFFWRW 0.45
25 WKPFPPRH 0.46
26 WKPFLWRH 0.47
27 WKPMFWRH 0.47
28 WLRFPWRH 0.48
29 WKPFPWRW 0.49
30 WLRFFPRH 0.49
31 WLKFPWRH 0.51
32 WKPFFPRW 0.51
33 WDPFPWRH 0.52
34 WLKFFPRH 0.52
35 WLRFFWRW 0.53
36 WDPFFPRH 0.53
37 WKRFPPRH 0.53
38 WLPFFWRR 0.53
39 WKRFLWRH 0.54
40 WKRMFWRH 0.55
41 WLKFFWRW 0.55
42 WKKFPPRH 0.56
43 WDPFFWRW 0.56
44 WKPFPWRR 0.57
45 WKRFPWRW 0.57
46 WKKMFWRH 0.57
47 WKKFLWRH 0.57
48 WKPFFPRR 0.58
49 WKRFFPRW 0.58
50 WDRFPWRH 0.59
51 WKKFPWRW 0.59
52 WDRFFPRH 0.6
53 WLRFFWRR 0.6
54 WKKFFPRW 0.61
55 WDKFPWRH 0.62
56 WLKFFWRR 0.63
57 WDKFFPRH 0.63
58 WDRFFWRW 0.64
59 WLPFPPRH 0.64
60 WKRFPWRR 0.64
61 WDPFFWRR 0.64
62 WLPMFWRH 0.65
63 WLPFLWRH 0.65
64 WKRFFPRR 0.66
65 WDKFFWRW 0.67
66 WKKFPWRR 0.67
67 WLPFPWRW 0.67
68 WKKFFPRR 0.68
69 WKPMPWRH 0.69
70 WLPFFPRW 0.69
71 WKPFLPRH 0.7
72 WLRFPPRH 0.71
73 WKPMFPRH 0.71
74 WDRFFWRR 0.71
75 WLRFLWRH 0.72
76 WLRMFWRH 0.73
77 WKPFPPRW 0.73
78 WKPFLWRW 0.74
79 WLKFPPRH 0.74
80 WKPMFWRW 0.74
81 WDKFFWRR 0.74
82 WLPFPWRR 0.75
83 WDPFPPRH 0.75
84 WLKFLWRH 0.75
85 WLRFPWRW 0.75
86 WLKMFWRH 0.76
87 WLPFFPRR 0.76
88 WDPFLWRH 0.76
89 WLRFFPRW 0.76
90 WKRMPWRH 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WKPMFWRH

3.13

-9.42

-6.29
2 WKPFPPRH

2.77

-8.18

-5.41
3 WKKFFPRH

3.15

-8.39

-5.24
4 WKKFPWRH

2.68

-7.78

-5.1
5 WKRFFPRH

2.84

-7.85

-5.01
6 WLRFPWRH

2.79

-7.73

-4.94
7 WLRFFPRH

2.8

-7.72

-4.92
8 WLPFFWRW

1.79

-6.64

-4.85
9 WLPFFPRH

2.94

-7.64

-4.7
10 WKKFFWRW

2.17

-6.79

-4.62
11 WKPFFWRH

2.88

-7.44

-4.56
12 WKRFFWRH

2.81

-7.24

-4.43
13 WKPFPWRH

2.99

-7.24

-4.25
14 WKRFPWRH

2.89

-7.08

-4.19
15 WLKFFWRH

2.87

-7.04

-4.17
16 WLPFPWRH

2.58

-6.74

-4.16
17 WKKFFWRH

2.97

-7.11

-4.14
18 WKPFFPRH

3.05

-7.16

-4.11
19 WLRFFWRH

3.03

-7.11

-4.08
20 WKPFLWRH

3.18

-7.12

-3.94
21 WKRFFWRR

2.91

-6.66

-3.75
22 WKPFFWRW

2.9

-6.52

-3.62
23 WLPFFWRH

3.25

-6.85

-3.6
24 WKRFFWRW

2.68

-6.26

-3.58
25 WKPFPWRW

3.42

-6.97

-3.55
26 WDRFFWRH

2.9

-6.1

-3.2
27 WKPFFWRR

3.1

-6.06

-2.96
28 WKKFFWRR

2.74

-5.6

-2.86
29 WDKFFWRH

2.91

-5.74

-2.83
30 WDPFFWRH

3.04

-5.52

-2.48

 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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