Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1R6S-25.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
poly-Ala 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 1.468 ΔGbinding 19.553
TOTAL
 21.021
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.245
Van der Waals -4.815 Backbone clash 4.691
Electrostatics 0.227 Helix dipole 0.000
Solvation Polar 5.310 Water bridges -0.000
Solvation Hyd -6.046 Disulfide 0.000
VdW clashes 20.177 Electrost. Kon 0.308
Entropy sc 0.863 Part.cov.bonds 0.000
Entropy mc

3.559

 ΔGstability

29.482
       

Predicted ligand sequences for model [MYO5_1R6S-25.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_1R6S-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPPKGTRG 0.0
2 RRPPKPTRG 0.01
3 RRPPKFTRG 0.04
4 RRPPKGDRG 0.08
5 RRPPKPDRG 0.09
6 RRPPKFDRG 0.12
7 RRPPKGPRG 0.15
8 RRPPKPPRG 0.16
9 RRPPKGERG 0.17
10 RRPPKPERG 0.18
11 RRPPKFPRG 0.19
12 RRPPKFERG 0.21
13 HRPPKGTRG 0.21
14 HRPPKPTRG 0.22
15 KRPPKGTRG 0.23
16 KRPPKPTRG 0.24
17 HRPPKFTRG 0.25
18 KRPPKFTRG 0.27
19 HRPPKGDRG 0.29
20 HRPPKPDRG 0.3
21 DRPPKGTRG 0.3
22 KRPPKGDRG 0.31
23 DRPPKPTRG 0.31
24 KRPPKPDRG 0.32
25 HRPPKFDRG 0.33
26 DRPPKFTRG 0.34
27 KRPPKFDRG 0.35
28 HRPPKGPRG 0.36
29 HRPPKPPRG 0.37
30 KRPPKGPRG 0.38
31 HRPPKGERG 0.38
32 DRPPKGDRG 0.38
33 DRPPKPDRG 0.39
34 HRPPKPERG 0.39
35 KRPPKPPRG 0.39
36 KRPPKGERG 0.4
37 HRPPKFPRG 0.4
38 RFPPKGTRG 0.4
39 RFPPKPTRG 0.41
40 KRPPKPERG 0.41
41 DRPPKFDRG 0.42
42 HRPPKFERG 0.42
43 KRPPKFPRG 0.42
44 RRPPKETRG 0.43
45 RFPPKFTRG 0.44
46 KRPPKFERG 0.44
47 DRPPKGPRG 0.45
48 DRPPKPPRG 0.46
49 DRPPKGERG 0.47
50 DRPPKPERG 0.48
51 RFPPKGDRG 0.48
52 DRPPKFPRG 0.49
53 RFPPKPDRG 0.49
54 RRPPKEDRG 0.51
55 DRPPKFERG 0.51
56 RFPPKFDRG 0.52
57 RFPPKGPRG 0.55
58 RFPPKPPRG 0.56
59 RFPPKGERG 0.57
60 RFPPKPERG 0.58
61 RRPPKEPRG 0.58
62 RFPPKFPRG 0.59
63 RRPPKEERG 0.6
64 HFPPKGTRG 0.61
65 RFPPKFERG 0.61
66 HFPPKPTRG 0.62
67 KFPPKGTRG 0.62
68 HRPPKETRG 0.64
69 KFPPKPTRG 0.64
70 HFPPKFTRG 0.65
71 KRPPKETRG 0.66
72 KFPPKFTRG 0.67
73 HFPPKGDRG 0.69
74 HFPPKPDRG 0.7
75 DFPPKGTRG 0.7
76 KFPPKGDRG 0.7
77 DFPPKPTRG 0.71
78 HRPPKEDRG 0.72
79 KFPPKPDRG 0.72
80 DRPPKETRG 0.73
81 HFPPKFDRG 0.73
82 DFPPKFTRG 0.74
83 KRPPKEDRG 0.74
84 KFPPKFDRG 0.75
85 HFPPKGPRG 0.76
86 KFPPKGPRG 0.77
87 HFPPKPPRG 0.77
88 DFPPKGDRG 0.78
89 HFPPKGERG 0.78
90 HFPPKPERG 0.79
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRPPKPDRG

1.99

-2.08

-0.09
2 RRPPKPPRG

3.19

-3.1

0.09
3 HRPPKPPRG

2.72

-2.48

0.24
4 KRPPKFDRG

3.06

-2.3

0.76
5 DRPPKFTRG

2.46

-1.38

1.08
6 RRPPKPERG

3.45

-2.29

1.16
7 HRPPKFDRG

2.86

-1.64

1.22
8 KRPPKGPRG

2.93

-1.7

1.23
9 RRPPKFERG

3.07

-1.64

1.43
10 HRPPKGPRG

2.59

-1.13

1.46
11 RRPPKFPRG

2.34

-0.87

1.47
12 KRPPKPTRG

3.05

-1.57

1.48
13 KRPPKGDRG

3.04

-1.32

1.72
14 RRPPKGTRG

2.6

-0.87

1.73
15 HRPPKGDRG

3.09

-1.28

1.81
16 RRPPKPTRG

3.21

-1.39

1.82
17 RRPPKFDRG

3.05

-1.2

1.85
18 RRPPKGPRG

2.42

-0.55

1.87
19 RRPPKFTRG

2.49

-0.54

1.95
20 HRPPKPDRG

3.11

-1.07

2.04
21 HRPPKGTRG

3.21

-1.03

2.18
22 KRPPKFTRG

2.62

-0.4

2.22
23 KRPPKPDRG

3.48

-1.23

2.25
24 DRPPKPTRG

2.98

-0.71

2.27
25 KRPPKGTRG

3.64

-0.91

2.73
26 HRPPKFTRG

3.75

-1.0

2.75
27 RRPPKGERG

3.08

-0.18

2.9
28 RRPPKGDRG

2.33

0.81

3.14
29 DRPPKGTRG

3.08

0.16

3.24
30 HRPPKPTRG

3.79

-0.48

3.31

 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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