Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1YP5-12.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    

(Help)

Intraclash 0.348 ΔGbinding -0.409
TOTAL
 -0.061
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.322
Van der Waals -1.915 Backbone clash 0.010
Electrostatics 0.067 Helix dipole 0.000
Solvation Polar 2.699 Water bridges 0.000
Solvation Hyd -2.312 Disulfide 0.000
VdW clashes 0.004 Electrost. Kon 0.067
Entropy sc 0.361 Part.cov.bonds 0.000
Entropy mc

1.574

 ΔGstability

9.985
       

Predicted ligand sequences for model [MYO5_1YP5-12.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_1YP5-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRIPPFWR 0.0
2 WRIPRFWR 0.0
3 WRIPDFWR 0.12
4 YRIPPFWR 0.13
5 YRIPRFWR 0.14
6 WRIPPFWK 0.15
7 WRIPRFWK 0.15
8 FRIPRFWR 0.19
9 FRIPPFWR 0.19
10 YRIPDFWR 0.26
11 WRIPDFWK 0.27
12 WRINPFWR 0.28
13 YRIPPFWK 0.28
14 WRINRFWR 0.28
15 YRIPRFWK 0.29
16 FRIPDFWR 0.31
17 WRIPPFWF 0.32
18 WRIPRFWF 0.32
19 WRIWPFWR 0.33
20 WRIWRFWR 0.33
21 FRIPRFWK 0.34
22 FRIPPFWK 0.34
23 WRINDFWR 0.4
24 YRINPFWR 0.41
25 YRINRFWR 0.41
26 YRIPDFWK 0.41
27 WRIPPWWR 0.43
28 WRINPFWK 0.43
29 WRIPRWWR 0.43
30 WRMPPFWR 0.43
31 WRINRFWK 0.43
32 WRMPRFWR 0.43
33 WRIPDFWF 0.45
34 WRIWDFWR 0.46
35 FRIPDFWK 0.46
36 YRIPRFWF 0.46
37 YRIPPFWF 0.46
38 FRINPFWR 0.47
39 YRIWPFWR 0.47
40 FRINRFWR 0.47
41 YRIWRFWR 0.47
42 WKIPRFWR 0.48
43 WKIPPFWR 0.48
44 WRIWPFWK 0.48
45 WRIWRFWK 0.48
46 FRIPRFWF 0.51
47 FRIPPFWF 0.51
48 FRIWPFWR 0.52
49 FRIWRFWR 0.52
50 YRINDFWR 0.53
51 WRIPDWWR 0.55
52 WRINDFWK 0.55
53 WRMPDFWR 0.55
54 YRINPFWK 0.56
55 YRMPPFWR 0.56
56 YRINRFWK 0.56
57 YRMPRFWR 0.56
58 YRIPPWWR 0.56
59 YRIPRWWR 0.56
60 WRIPPWWK 0.58
61 WRIPRWWK 0.58
62 WRMPPFWK 0.58
63 YRIPDFWF 0.58
64 WRMPRFWK 0.58
65 FRINDFWR 0.59
66 YRIWDFWR 0.59
67 WRINPFWF 0.6
68 WKIPDFWR 0.6
69 WRINRFWF 0.6
70 FRINPFWK 0.61
71 WRIWDFWK 0.61
72 YKIPPFWR 0.61
73 YRIWPFWK 0.62
74 FRIPPWWR 0.62
75 FRIPRWWR 0.62
76 FRMPPFWR 0.62
77 FRMPRFWR 0.62
78 FRINRFWK 0.62
79 YRIWRFWK 0.62
80 YKIPRFWR 0.62
81 WKIPPFWK 0.63
82 WKIPRFWK 0.63
83 FRIPDFWF 0.64
84 FRIWDFWR 0.65
85 WRIWPFWF 0.65
86 WRIWRFWF 0.66
87 FRIWPFWK 0.67
88 FRIWRFWK 0.67
89 FKIPRFWR 0.67
90 FKIPPFWR 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRMPPFWR

0.97

-5.07

-4.1
2 WRIPRFWK

2.97

-6.16

-3.19
3 WRIPDFWR

3.14

-6.28

-3.14
4 WRIPPFWR

1.69

-4.71

-3.02
5 YRIPPFWK

1.65

-4.66

-3.01
6 FRIPPFWR

2.96

-5.96

-3.0
7 YRIPPFWR

1.68

-4.62

-2.94
8 FRIPRFWR

2.97

-5.91

-2.94
9 WRIWPFWR

1.51

-4.44

-2.93
10 YRIPRFWK

1.71

-4.59

-2.88
11 FRIPPFWK

2.88

-5.71

-2.83
12 WRIPRFWR

1.94

-4.74

-2.8
13 FRIPDFWR

3.07

-5.86

-2.79
14 YRIPRFWR

1.54

-4.3

-2.76
15 WRIWRFWR

3.2

-5.96

-2.76
16 FRIPRFWK

1.78

-4.48

-2.7
17 WRIPPFWF

1.69

-4.36

-2.67
18 WRINRFWR

3.37

-5.98

-2.61
19 WRINPFWR

1.92

-4.46

-2.54
20 WRIPRFWF

2.06

-4.58

-2.52
21 WRIPRWWR

2.19

-4.68

-2.49
22 WRINPFWK

1.87

-4.3

-2.43
23 WRIPPFWK

1.72

-4.13

-2.41
24 WRIPDFWK

1.72

-4.03

-2.31
25 YRIPDFWK

1.69

-3.93

-2.24
26 WRINDFWR

1.78

-4.02

-2.24
27 WRIPPWWR

2.17

-4.4

-2.23
28 YRIPDFWR

1.72

-3.91

-2.19
29 YRINPFWR

2.0

-4.12

-2.12
30 YRINRFWR

2.09

-4.13

-2.04

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER