Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1RUW-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 1.336 ΔGbinding -1.730
TOTAL
 -0.394
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.653
Van der Waals -3.397 Backbone clash 0.191
Electrostatics 0.126 Helix dipole 0.000
Solvation Polar 3.488 Water bridges -0.018
Solvation Hyd -4.400 Disulfide 0.000
VdW clashes 0.108 Electrost. Kon 0.152
Entropy sc 0.621 Part.cov.bonds 0.000
Entropy mc

2.210

 ΔGstability

2.206
       

Predicted ligand sequences for model [MYO5_1RUW-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_1RUW-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 HKPFFPRH 0.0
2 MKPFFPRH 0.04
3 HKRFFPRH 0.07
4 HKKFFPRH 0.1
5 MKRFFPRH 0.11
6 HKPFFPRY 0.12
7 MKKFFPRH 0.14
8 MKPFFPRY 0.16
9 HKRFFPRY 0.19
10 HKKFFPRY 0.22
11 MKRFFPRY 0.23
12 HKPFFFRH 0.24
13 MKKFFPRY 0.26
14 MKPFFFRH 0.27
15 HKRFFFRH 0.31
16 HKPFFPRR 0.33
17 MKRFFFRH 0.34
18 HKKFFFRH 0.34
19 HKPFFYRH 0.35
20 HKPFFFRY 0.36
21 MKKFFFRH 0.37
22 MKPFFPRR 0.37
23 MKPFFYRH 0.38
24 HKPFPPRH 0.38
25 MKPFFFRY 0.39
26 HKRFFPRR 0.4
27 MKPFPPRH 0.41
28 HKRFFYRH 0.42
29 HKKFFPRR 0.43
30 HKRFFFRY 0.43
31 MKRFFPRR 0.44
32 MKRFFYRH 0.45
33 HKKFFYRH 0.45
34 HKRFPPRH 0.45
35 HKKFFFRY 0.46
36 MKRFFFRY 0.47
37 HKPFYPRH 0.47
38 MKKFFPRR 0.47
39 HKPFFYRY 0.47
40 HKKFPPRH 0.48
41 MKKFFYRH 0.48
42 MKKFFFRY 0.49
43 MKRFPPRH 0.49
44 MKPFFYRY 0.5
45 MKPFYPRH 0.5
46 HKPFPPRY 0.5
47 MKKFPPRH 0.52
48 HKRFYPRH 0.54
49 MKPFPPRY 0.54
50 HKRFFYRY 0.54
51 MKRFYPRH 0.57
52 HKPFFFRR 0.57
53 HKKFYPRH 0.57
54 HKKFFYRY 0.57
55 HKRFPPRY 0.57
56 MKRFFYRY 0.58
57 HKPFYPRY 0.59
58 MKKFFYRY 0.6
59 HKKFPPRY 0.6
60 MKPFFFRR 0.6
61 MKKFYPRH 0.6
62 MKRFPPRY 0.61
63 HKPFPFRH 0.62
64 MKPFYPRY 0.62
65 HKRFFFRR 0.64
66 MKKFPPRY 0.64
67 MKPFPFRH 0.65
68 HKRFYPRY 0.66
69 HKKFFFRR 0.67
70 MKRFFFRR 0.68
71 HKPFFYRR 0.68
72 MKRFYPRY 0.69
73 HKRFPFRH 0.69
74 HKKFYPRY 0.69
75 HKPFYFRH 0.7
76 MKKFFFRR 0.7
77 MKPFFYRR 0.71
78 HKPFPPRR 0.71
79 HKKFPFRH 0.72
80 MKRFPFRH 0.72
81 MKKFYPRY 0.72
82 HKPFPYRH 0.73
83 HKPFPFRY 0.74
84 MKPFPPRR 0.74
85 MKPFYFRH 0.74
86 HKRFFYRR 0.75
87 MKKFPFRH 0.75
88 MKPFPYRH 0.76
89 HKRFYFRH 0.77
90 MKPFPFRY 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MKPFFFRH

2.52

-9.27

-6.75
2 MKPFPPRH

2.85

-9.58

-6.73
3 MKRFFPRH

2.65

-8.88

-6.23
4 MKPFFPRH

2.95

-8.94

-5.99
5 HKPFPPRH

2.7

-8.42

-5.72
6 HKKFFPRH

1.61

-7.32

-5.71
7 MKRFFFRH

2.39

-8.1

-5.71
8 MKPFFPRR

2.91

-8.5

-5.59
9 MKKFFPRH

2.04

-7.63

-5.59
10 HKPFFPRY

1.96

-7.55

-5.59
11 MKRFFPRY

2.45

-7.7

-5.25
12 MKPFFFRY

2.39

-7.51

-5.12
13 MKKFFPRY

2.88

-7.99

-5.11
14 HKRFFFRH

2.53

-7.36

-4.83
15 MKPFFYRH

2.37

-7.19

-4.82
16 MKPFFPRY

2.38

-7.03

-4.65
17 HKKFFPRY

2.57

-7.13

-4.56
18 MKKFFFRH

2.51

-6.96

-4.45
19 HKKFFPRR

2.67

-7.08

-4.41
20 HKRFFYRH

2.7

-7.07

-4.37
21 HKRFFPRR

2.64

-6.87

-4.23
22 HKKFFFRH

2.6

-6.75

-4.15
23 HKPFFPRR

2.97

-7.09

-4.12
24 HKRFFPRY

1.56

-5.64

-4.08
25 HKPFFYRH

2.95

-6.99

-4.04
26 HKRFFFRY

2.34

-6.33

-3.99
27 HKRFFPRH

2.5

-6.49

-3.99
28 HKPFFFRY

1.61

-5.52

-3.91
29 HKPFFFRH

2.75

-6.42

-3.67
30 HKPFFPRH

2.82

-6.35

-3.53

 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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