Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1VA7-20.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 2.227 ΔGbinding 0.201
TOTAL
 2.428
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.125
Van der Waals -4.369 Backbone clash 0.076
Electrostatics 0.180 Helix dipole 0.000
Solvation Polar 4.691 Water bridges -0.053
Solvation Hyd -5.969 Disulfide 0.000
VdW clashes 2.548 Electrost. Kon 0.216
Entropy sc 0.644 Part.cov.bonds 0.000
Entropy mc

4.737

 ΔGstability

6.532
       

Predicted ligand sequences for model [MYO3_1VA7-20.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_1VA7-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMPMRGHLR 0.0
2 RMHMRGHLR 0.09
3 RMRMRGHLR 0.12
4 RMPMRGHMR 0.15
5 RMPKRGHLR 0.22
6 RMHMRGHMR 0.24
7 RMRMRGHMR 0.27
8 RMHKRGHLR 0.31
9 RMPMRGHLF 0.33
10 RMRKRGHLR 0.34
11 RKPMRGHLR 0.36
12 RMPKRGHMR 0.37
13 RMPMRGHLY 0.42
14 RMPMWGHLR 0.42
15 RMHMRGHLF 0.42
16 RMRMRGHLF 0.45
17 RKHMRGHLR 0.46
18 RMHKRGHMR 0.46
19 RMPMRGHMF 0.48
20 RKRMRGHLR 0.49
21 RMRKRGHMR 0.49
22 RMHMWGHLR 0.51
23 RKPMRGHMR 0.52
24 RMHMRGHLY 0.52
25 RMRMWGHLR 0.54
26 RMPKRGHLF 0.54
27 RMRMRGHLY 0.55
28 RMPMRGHMY 0.57
29 RMHMRGHMF 0.57
30 RMPMWGHMR 0.57
31 RKPKRGHLR 0.58
32 RMRMRGHMF 0.6
33 RKHMRGHMR 0.61
34 RMHKRGHLF 0.63
35 RKRMRGHMR 0.64
36 RMPKWGHLR 0.64
37 RMPKRGHLY 0.64
38 RMHMWGHMR 0.66
39 RKHKRGHLR 0.67
40 RMRKRGHLF 0.67
41 RMHMRGHMY 0.67
42 RMRMWGHMR 0.69
43 RKPMRGHLF 0.69
44 RMPKRGHMF 0.69
45 RKRKRGHLR 0.7
46 RMRMRGHMY 0.7
47 RMHKWGHLR 0.73
48 RMHKRGHLY 0.73
49 RKPKRGHMR 0.73
50 RMPMWGHLF 0.74
51 RMRKWGHLR 0.76
52 RMRKRGHLY 0.76
53 RKHMRGHLF 0.78
54 RMHKRGHMF 0.78
55 RKPMWGHLR 0.78
56 RKPMRGHLY 0.79
57 RMPKRGHMY 0.79
58 RMPKWGHMR 0.79
59 RKRMRGHLF 0.81
60 RKHKRGHMR 0.82
61 RMRKRGHMF 0.82
62 RKPMRGHMF 0.84
63 RMHMWGHLF 0.84
64 RMPMWGHLY 0.84
65 RKRKRGHMR 0.86
66 RMRMWGHLF 0.87
67 RKHMRGHLY 0.88
68 RMHKRGHMY 0.88
69 RKHMWGHLR 0.88
70 RMHKWGHMR 0.88
71 RMPMWGHMF 0.9
72 RKRMWGHLR 0.91
73 RKRMRGHLY 0.91
74 RKPKRGHLF 0.91
75 RMRKRGHMY 0.91
76 RMRKWGHMR 0.91
77 RKHMRGHMF 0.93
78 RKPMWGHMR 0.94
79 RKPMRGHMY 0.94
80 RMHMWGHLY 0.94
81 RKRMRGHMF 0.96
82 RMPKWGHLF 0.96
83 RMRMWGHLY 0.97
84 RMHMWGHMF 0.99
85 RMPMWGHMY 0.99
86 RKPKWGHLR 1.0
87 RKHKRGHLF 1.0
88 RKPKRGHLY 1.0
89 RMRMWGHMF 1.02
90 RKHMRGHMY 1.03
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMPMRGHLY

1.9

-9.82

-7.92
2 RMHMRGHLY

1.49

-9.22

-7.73
3 RMPMRGHMF

1.93

-9.46

-7.53
4 RMRMRGHLY

1.95

-9.32

-7.37
5 RMPMRGHMR

2.0

-9.12

-7.12
6 RMRMRGHMR

1.96

-8.81

-6.85
7 RMPMRGHLF

2.01

-8.8

-6.79
8 RMHMRGHMF

2.56

-9.34

-6.78
9 RMRMRGHLF

1.94

-8.63

-6.69
10 RMPMRGHMY

2.43

-9.05

-6.62
11 RMRKRGHMR

2.0

-8.37

-6.37
12 RMPMRGHLR

1.96

-8.3

-6.34
13 RMHMRGHLF

2.15

-8.44

-6.29
14 RMHMRGHMR

2.56

-8.76

-6.2
15 RMPMWGHMR

2.4

-8.56

-6.16
16 RMPKRGHLF

1.86

-7.97

-6.11
17 RMRMRGHLR

1.89

-7.98

-6.09
18 RMRMWGHLR

1.96

-7.8

-5.84
19 RKPMRGHMR

2.45

-8.23

-5.78
20 RMHMRGHLR

2.14

-7.91

-5.77
21 RMPKRGHMR

2.8

-8.52

-5.72
22 RKPMRGHLR

2.53

-8.17

-5.64
23 RMPMWGHLR

2.87

-8.47

-5.6
24 RMHMWGHLR

2.07

-7.54

-5.47
25 RKRMRGHLR

1.93

-7.28

-5.35
26 RMHKRGHLR

1.87

-7.18

-5.31
27 RMPKRGHLR

1.97

-7.21

-5.24
28 RMRKRGHLR

2.2

-7.19

-4.99
29 RKHMRGHLR

1.87

-6.82

-4.95
30 RMHKRGHMR

2.91

-7.83

-4.92

 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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