Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1YP5-21.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
 G
G
 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 0.906 ΔGbinding 1.370
TOTAL
 2.276
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.073
Van der Waals -1.305 Backbone clash 0.111
Electrostatics 0.031 Helix dipole 0.000
Solvation Polar 1.806 Water bridges -0.026
Solvation Hyd -1.726 Disulfide 0.000
VdW clashes 1.280 Electrost. Kon 0.032
Entropy sc 0.255 Part.cov.bonds 0.000
Entropy mc

2.225

 ΔGstability

17.820
       

Predicted ligand sequences for model [MYO5_1YP5-21.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_1YP5-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EMKIGRPTMT 0.0
2 EFKIGRPTMT 0.01
3 EEKIGRPTMT 0.11
4 EMKMGRPTMT 0.3
5 EFKMGRPTMT 0.3
6 EFKIGRPTMM 0.31
7 EMKIGRPTMM 0.31
8 EMKIGRPTML 0.31
9 EFKIGRPTML 0.32
10 EMKIGRPTLT 0.32
11 EFKIGRPTLT 0.33
12 EMKIGRTTMT 0.35
13 EMKIGRETMT 0.35
14 EFKIGRETMT 0.36
15 EFKIGRTTMT 0.36
16 EMKIQRPTMT 0.36
17 EMKIHRPTMT 0.37
18 EFKIHRPTMT 0.37
19 EFKIQRPTMT 0.37
20 EEKMGRPTMT 0.41
21 EFKIGRPTRT 0.41
22 EMKIGRPTRT 0.41
23 EEKIGRPTML 0.42
24 EEKIGRPTMM 0.42
25 EEKIGRPTLT 0.43
26 EEKIGRETMT 0.46
27 EEKIGRTTMT 0.46
28 EEKIQRPTMT 0.47
29 EEKIHRPTMT 0.47
30 EEKIGRPTRT 0.52
31 EFKMGRPTMM 0.61
32 EMKMGRPTML 0.61
33 EMKMGRPTMM 0.61
34 EFKMGRPTML 0.62
35 EMKMGRPTLT 0.62
36 EMKIGRPTLM 0.63
37 EFKMGRPTLT 0.63
38 EMKIGRPTLL 0.64
39 EFKIGRPTLL 0.64
40 EFKIGRPTLM 0.64
41 EMKMGRETMT 0.65
42 EMKMGRTTMT 0.65
43 EFKMGRTTMT 0.66
44 EMKMHRPTMT 0.66
45 EMKIGRTTMM 0.66
46 EFKMQRPTMT 0.66
47 EMKIGRETMM 0.66
48 EFKMGRETMT 0.66
49 EMKMQRPTMT 0.66
50 EFKMHRPTMT 0.67
51 EFKIGRETML 0.67
52 EFKIGRETMM 0.67
53 EMKIGRTTML 0.67
54 EFKIGRTTMM 0.67
55 EFKIGRTTML 0.67
56 EMKIGRETML 0.67
57 EMKIQRPTMM 0.67
58 EFKIGRTTLT 0.68
59 EMKIGRETLT 0.68
60 EMKIQRPTLT 0.68
61 EFKIGRETLT 0.68
62 EMKIGRTTLT 0.68
63 EMKIHRPTMM 0.68
64 EMKIHRPTML 0.68
65 EFKIHRPTMM 0.68
66 EFKIQRPTMM 0.68
67 EFKIQRPTML 0.68
68 EMKIQRPTML 0.68
69 EFKIHRPTLT 0.69
70 EMKIHRPTLT 0.69
71 EFKIQRPTLT 0.69
72 EFKIHRPTML 0.69
73 EFKMGRPTRT 0.71
74 EMKMGRPTRT 0.71
75 EMKIQRETMT 0.71
76 EFKIHRETMT 0.72
77 EMKIQRTTMT 0.72
78 EMKIHRETMT 0.72
79 EEKMGRPTML 0.72
80 EEKMGRPTMM 0.72
81 EMKIHRTTMT 0.72
82 EFKIQRETMT 0.72
83 EFKIQRTTMT 0.72
84 EFKIGRPTRM 0.72
85 EMKIGRPTRM 0.72
86 EMKIGRPTRL 0.72
87 EEKMGRPTLT 0.73
88 EFKIGRPTRL 0.73
89 EFKIHRTTMT 0.73
90 EEKIGRPTLM 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EEKMGRPTMT

2.31

-4.77

-2.46
2 EFKIGRETMT

2.58

-4.85

-2.27
3 EEKIGRPTMT

2.42

-4.54

-2.12
4 EFKMGRPTMT

2.42

-4.54

-2.12
5 EFKIGRPTMT

2.59

-4.66

-2.07
6 EFKIGRTTMT

2.58

-4.43

-1.85
7 EEKIGRETMT

2.42

-4.24

-1.82
8 EFKIHRPTMT

3.36

-4.94

-1.58
9 EFKIGRPTMM

3.11

-4.62

-1.51
10 EEKIGRPTRT

2.7

-4.1

-1.4
11 EFKIGRPTML

3.01

-4.27

-1.26
12 EMKMGRPTMT

2.94

-3.87

-0.93
13 EFKIGRPTRT

2.65

-3.52

-0.87
14 EEKIHRPTMT

3.97

-4.82

-0.85
15 EFKIQRPTMT

4.32

-4.94

-0.62
16 EEKIGRPTMM

2.7

-3.03

-0.33
17 EFKIGRPTLT

3.4

-3.71

-0.31
18 EEKIGRPTLT

2.48

-2.69

-0.21
19 EMKIGRPTMM

3.41

-3.61

-0.2
20 EEKIGRPTML

3.42

-3.54

-0.12
21 EMKIGRPTML

3.31

-3.38

-0.07
22 EMKIGRTTMT

3.48

-3.52

-0.04
23 EMKIGRPTMT

3.66

-3.55

0.11
24 EEKIGRTTMT

3.15

-2.86

0.29
25 EMKIHRPTMT

4.02

-3.61

0.41
26 EMKIGRPTLT

3.64

-3.14

0.5
27 EMKIGRETMT

3.29

-2.72

0.57
28 EMKIGRPTRT

3.35

-2.58

0.77
29 EEKIQRPTMT

4.09

-2.73

1.36
30 EMKIQRPTMT

4.79

-3.42

1.37

 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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