Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-7.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
G
 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 0.974 ΔGbinding 3.852
TOTAL
 4.826
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.580
Van der Waals -3.547 Backbone clash 5.931
Electrostatics 0.118 Helix dipole 0.000
Solvation Polar 5.184 Water bridges -0.047
Solvation Hyd -4.298 Disulfide 0.000
VdW clashes 4.521 Electrost. Kon 0.154
Entropy sc 0.626 Part.cov.bonds 0.000
Entropy mc

3.111

 ΔGstability

14.653
       

Predicted ligand sequences for model [MYO3_1YP5-7.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).
 
  MYO3_1YP5-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 YFPIPPWW 0.0
2 YFPIPPWQ 0.04
3 YFPIPPWR 0.11
4 YFDIPPWW 0.15
5 YFPRPPWW 0.17
6 YFDIPPWQ 0.19
7 YFPRPPWQ 0.21
8 YFHIPPWW 0.22
9 YFDIPPWR 0.26
10 YFHIPPWQ 0.26
11 YFPRPPWR 0.28
12 YFPIPEWW 0.31
13 YFDRPPWW 0.32
14 YFHIPPWR 0.33
15 YFPIPEWQ 0.35
16 YFDRPPWQ 0.36
17 YFPIPRWW 0.37
18 YFPIIPWW 0.37
19 YFPKPPWW 0.38
20 YFHRPPWW 0.39
21 YFPIPRWQ 0.41
22 YFPIIPWQ 0.41
23 YFPIPEWR 0.42
24 YFPKPPWQ 0.42
25 YFHRPPWQ 0.43
26 YFDRPPWR 0.43
27 YFDIPEWW 0.46
28 YFPRPEWW 0.47
29 YYPIPPWW 0.47
30 YFPIPRWR 0.48
31 YFPIIPWR 0.48
32 YFPKPPWR 0.49
33 YFDIPEWQ 0.5
34 YFHRPPWR 0.5
35 YFPRPEWQ 0.51
36 YYPIPPWQ 0.51
37 YFDIIPWW 0.52
38 YFDIPRWW 0.52
39 YFDKPPWW 0.53
40 YFHIPEWW 0.53
41 YFPRPRWW 0.53
42 YFPRIPWW 0.54
43 YFDIIPWQ 0.56
44 YFDIPRWQ 0.56
45 YFDIPEWR 0.57
46 YFDKPPWQ 0.57
47 YFHIPEWQ 0.57
48 YFPRPRWQ 0.57
49 YYPIPPWR 0.58
50 YFPRPEWR 0.58
51 YFPRIPWQ 0.58
52 YFHIPRWW 0.59
53 YFHIIPWW 0.59
54 YFHKPPWW 0.6
55 YFDRPEWW 0.62
56 YYDIPPWW 0.62
57 YFDIIPWR 0.63
58 YFDIPRWR 0.63
59 YFHIPRWQ 0.63
60 YFHIIPWQ 0.63
61 YYPRPPWW 0.64
62 YFDKPPWR 0.64
63 YFHKPPWQ 0.64
64 YFHIPEWR 0.64
65 YFPRIPWR 0.65
66 YFPRPRWR 0.65
67 YYDIPPWQ 0.66
68 YFDRPEWQ 0.66
69 YYPRPPWQ 0.68
70 YFPIIEWW 0.68
71 YFDRPRWW 0.68
72 YFHRPEWW 0.69
73 YYHIPPWW 0.69
74 YFPKPEWW 0.69
75 YFDRIPWW 0.69
76 YFHIPRWR 0.7
77 YFHIIPWR 0.7
78 YFHKPPWR 0.71
79 YFPIIEWQ 0.72
80 YFDRPRWQ 0.72
81 YYDIPPWR 0.73
82 YYHIPPWQ 0.73
83 YFHRPEWQ 0.73
84 YFDRPEWR 0.73
85 YFPKPEWQ 0.73
86 YFDRIPWQ 0.73
87 YFPIIRWW 0.74
88 YFPKIPWW 0.75
89 YYPRPPWR 0.75
90 YFPKPRWW 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YFDIPPWW

1.4

-5.31

-3.91
2 YFDIPPWR

1.66

-4.85

-3.19
3 YFPRPPWQ

1.57

-4.66

-3.09
4 YFPIPPWQ

1.64

-4.64

-3.0
5 YFPKPPWQ

1.68

-4.63

-2.95
6 YFPIPPWW

1.54

-4.47

-2.93
7 YFHIPPWR

1.6

-4.44

-2.84
8 YFDRPPWR

1.61

-4.4

-2.79
9 YFPIPPWR

1.9

-4.55

-2.65
10 YFDIPPWQ

1.69

-4.28

-2.59
11 YFPIPEWR

1.75

-4.25

-2.5
12 YFHIPPWQ

1.66

-4.16

-2.5
13 YFPKPPWW

1.57

-4.0

-2.43
14 YFPRPPWW

1.58

-4.01

-2.43
15 YFHRPPWW

1.52

-3.88

-2.36
16 YFDRPPWQ

2.0

-4.34

-2.34
17 YFPIPEWQ

1.78

-4.09

-2.31
18 YFPIPRWR

1.93

-4.22

-2.29
19 YFPRPPWR

1.98

-4.25

-2.27
20 YFDRPPWW

1.49

-3.74

-2.25
21 YFPRPEWW

1.84

-4.04

-2.2
22 YYPIPPWW

1.48

-3.37

-1.89
23 YFPIPEWW

1.88

-3.7

-1.82
24 YFHRPPWQ

1.71

-3.52

-1.81
25 YFPIPRWW

1.79

-3.55

-1.76
26 YFPIIPWQ

2.49

-4.16

-1.67
27 YFPIPRWQ

2.31

-3.88

-1.57
28 YFDIPEWW

1.83

-3.38

-1.55
29 YFPIIPWW

2.36

-3.04

-0.68
30 YFHIPPWW

1.75

-2.34

-0.59

 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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