Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-10.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 0.721 ΔGbinding 2.906
TOTAL
 3.627
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.763
Van der Waals -3.808 Backbone clash 2.570
Electrostatics 0.097 Helix dipole 0.000
Solvation Polar 4.244 Water bridges -0.064
Solvation Hyd -5.036 Disulfide 0.000
VdW clashes 4.305 Electrost. Kon 0.111
Entropy sc 0.451 Part.cov.bonds 0.000
Entropy mc

3.117

 ΔGstability

13.180
       

Predicted ligand sequences for model [MYO3_1YP5-10.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_1YP5-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKRKGMRH 0.0
2 RKRRGMRH 0.07
3 RKWKGMRH 0.09
4 RKFKGMRH 0.09
5 RKRIGMRH 0.14
6 RKRKGRRH 0.14
7 RKWRGMRH 0.16
8 RKFRGMRH 0.16
9 RKRKGFRH 0.17
10 RKRRGRRH 0.21
11 RKWIGMRH 0.23
12 RKFIGMRH 0.23
13 RKWKGRRH 0.23
14 RKFKGRRH 0.24
15 RKRRGFRH 0.24
16 RKWKGFRH 0.26
17 RKFKGFRH 0.27
18 RKRIGRRH 0.28
19 RKWRGRRH 0.3
20 RKFRGRRH 0.31
21 RKRIGFRH 0.32
22 RKRKGMHH 0.33
23 RKWRGFRH 0.33
24 RKFRGFRH 0.34
25 RKWIGRRH 0.37
26 RKFIGRRH 0.38
27 RKWIGFRH 0.4
28 RKRRGMHH 0.4
29 RKWKGMHH 0.41
30 RKFIGFRH 0.41
31 RKFKGMHH 0.42
32 RKRKGMRR 0.46
33 RKRKGRHH 0.47
34 YKRKGMRH 0.47
35 RKRIGMHH 0.47
36 RKWRGMHH 0.48
37 RKFRGMHH 0.49
38 RKRKGFHH 0.5
39 RKRRGMRR 0.53
40 RKRRGRHH 0.54
41 RKWKGMRR 0.54
42 YKRRGMRH 0.54
43 RKWKGRHH 0.55
44 RKWIGMHH 0.55
45 YKWKGMRH 0.55
46 RKFKGMRR 0.55
47 RKFKGRHH 0.56
48 RKFIGMHH 0.56
49 YKFKGMRH 0.56
50 RKRRGFHH 0.57
51 RKWKGFHH 0.58
52 RKFKGFHH 0.59
53 RKRIGMRR 0.6
54 RKRKGRRR 0.6
55 RKWRGMRR 0.61
56 YKRIGMRH 0.61
57 RKRIGRHH 0.61
58 YKRKGRRH 0.61
59 RKFRGMRR 0.62
60 RKWRGRHH 0.62
61 YKWRGMRH 0.62
62 RKRKGFRR 0.63
63 RKFRGRHH 0.63
64 YKFRGMRH 0.63
65 RKRIGFHH 0.64
66 YKRKGFRH 0.64
67 RKFRGFHH 0.66
68 RKWRGFHH 0.66
69 RKRRGRRR 0.67
70 RKWIGMRR 0.68
71 YKRRGRRH 0.68
72 RKFKGRRR 0.69
73 RKFIGMRR 0.69
74 RKWKGRRR 0.69
75 YKWKGRRH 0.7
76 RKFIGRHH 0.7
77 RKRRGFRR 0.7
78 YKFKGRRH 0.7
79 RKWIGRHH 0.7
80 YKWIGMRH 0.7
81 YKFIGMRH 0.7
82 YKRRGFRH 0.71
83 RKFKGFRR 0.72
84 RKWKGFRR 0.72
85 YKWKGFRH 0.73
86 RKFIGFHH 0.73
87 RKWIGFHH 0.73
88 YKFKGFRH 0.73
89 RKRIGRRR 0.74
90 YKRIGRRH 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKRKGFRH

1.15

-7.99

-6.84
2 RKRIGFRH

1.22

-8.04

-6.82
3 RKWIGFRH

1.32

-7.86

-6.54
4 RKFRGFRH

1.28

-7.55

-6.27
5 RKFKGFRH

1.73

-7.95

-6.22
6 RKWIGMRH

1.29

-7.51

-6.22
7 RKRKGMRH

1.67

-7.87

-6.2
8 RKWRGMRH

1.25

-7.41

-6.16
9 RKFIGMRH

1.63

-7.79

-6.16
10 RKRRGMRH

1.69

-7.78

-6.09
11 RKRKGRRH

1.7

-7.77

-6.07
12 RKWKGFRH

1.6

-7.66

-6.06
13 RKRIGMRH

1.78

-7.84

-6.06
14 RKFKGMRH

1.69

-7.72

-6.03
15 RKFIGRRH

1.91

-7.93

-6.02
16 RKFKGRRH

1.84

-7.85

-6.01
17 RKWRGFRH

1.62

-7.6

-5.98
18 RKFRGMRH

1.76

-7.72

-5.96
19 RKWRGRRH

1.75

-7.68

-5.93
20 RKRRGFRH

1.75

-7.66

-5.91
21 RKRRGRRH

1.72

-7.62

-5.9
22 RKWIGRRH

1.84

-7.71

-5.87
23 RKWKGMRH

1.56

-7.2

-5.64
24 RKWKGMHH

1.46

-7.09

-5.63
25 RKRRGMHH

1.47

-7.09

-5.62
26 RKFIGFRH

1.32

-6.46

-5.14
27 RKRIGRRH

1.79

-6.87

-5.08
28 RKRKGMHH

1.83

-6.69

-4.86
29 RKFRGRRH

1.41

-5.87

-4.46
30 RKWKGRRH

1.76

-6.01

-4.25

 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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