Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-4.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
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 0.342 ΔGbinding 1.647
TOTAL
 1.989
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.777
Van der Waals -4.997 Backbone clash 0.049
Electrostatics -0.219 Helix dipole 0.000
Solvation Polar 5.406 Water bridges 0.000
Solvation Hyd -7.024 Disulfide 0.000
VdW clashes 5.186 Electrost. Kon -0.295
Entropy sc 0.731 Part.cov.bonds 0.000
Entropy mc

3.358

 ΔGstability

7.295
       

Predicted ligand sequences for model [MYO5_1VA7-4.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_1VA7-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPRRFRPPH 0.0
2 FRPRMFRPPH 0.01
3 FRPRRFRDPH 0.06
4 FRPRMFRDPH 0.07
5 FRPRRFRPPF 0.1
6 FRPRMFRPPF 0.11
7 FRPRKFRPPH 0.11
8 FRPRRFRDPF 0.16
9 FRPRKFRDPH 0.17
10 FRPRIFRPPH 0.17
11 FRPRMFRDPF 0.17
12 FRPRRFRRPH 0.17
13 FRPRMFRRPH 0.18
14 FRPRKFRPPF 0.21
15 FRPRIFRDPH 0.23
16 FRPRKFRDPF 0.27
17 FRPRIFRPPF 0.27
18 FRPRRFRRPF 0.27
19 FRPRKFRRPH 0.28
20 FRPRMFRRPF 0.29
21 FRPRIFRDPF 0.33
22 FRRRRFRPPH 0.34
23 FRPRRFRMPH 0.34
24 FRPRMFRMPH 0.35
25 FRRRMFRPPH 0.35
26 FRPRIFRRPH 0.35
27 FRPRKFRRPF 0.38
28 FRRRRFRDPH 0.4
29 FRKRRFRPPH 0.4
30 FRRRMFRDPH 0.41
31 FRKRMFRPPH 0.41
32 FRIRRFRPPH 0.44
33 FRRRRFRPPF 0.44
34 FRPRRFRMPF 0.44
35 FRPRMFRMPF 0.45
36 FRPRKFRMPH 0.45
37 FRRRKFRPPH 0.45
38 FRRRMFRPPF 0.45
39 FRIRMFRPPH 0.45
40 FRPRIFRRPF 0.45
41 FRKRRFRDPH 0.46
42 FRKRMFRDPH 0.47
43 FRRRRFRDPF 0.5
44 FRIRRFRDPH 0.5
45 FRKRRFRPPF 0.5
46 FRRRMFRDPF 0.51
47 FRPRIFRMPH 0.51
48 FRRRKFRDPH 0.51
49 FRIRMFRDPH 0.51
50 FRRRRFRRPH 0.51
51 FRRRIFRPPH 0.51
52 FRKRKFRPPH 0.51
53 FRKRMFRPPF 0.51
54 FRRRMFRRPH 0.53
55 FRIRRFRPPF 0.54
56 FRPRKFRMPF 0.55
57 FRRRKFRPPF 0.55
58 FRIRMFRPPF 0.55
59 FRIRKFRPPH 0.55
60 FRKRRFRDPF 0.56
61 FRKRKFRDPH 0.57
62 FRRRIFRDPH 0.57
63 FRKRIFRPPH 0.57
64 FRKRRFRRPH 0.57
65 FRKRMFRDPF 0.57
66 FRKRMFRRPH 0.58
67 FRIRRFRDPF 0.6
68 FRIRRFRRPH 0.61
69 FRPRIFRMPF 0.61
70 FRRRKFRDPF 0.61
71 FRIRMFRDPF 0.61
72 FRRRRFRRPF 0.61
73 FRKRKFRPPF 0.61
74 FRRRIFRPPF 0.61
75 FRIRKFRDPH 0.61
76 FRIRIFRPPH 0.61
77 FRIRMFRRPH 0.62
78 FRRRMFRRPF 0.62
79 FRRRKFRRPH 0.62
80 FRKRIFRDPH 0.63
81 FRIRKFRPPF 0.65
82 FRKRKFRDPF 0.67
83 FRIRIFRDPH 0.67
84 FRKRIFRPPF 0.67
85 FRRRIFRDPF 0.67
86 FRKRRFRRPF 0.67
87 FRRRRFRMPH 0.68
88 FRKRMFRRPF 0.68
89 FRKRKFRRPH 0.68
90 FRRRIFRRPH 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRPRRFRMPH

1.95

-9.78

-7.83
2 FRRRMFRDPH

2.72

-7.16

-4.44
3 FRRRRFRDPH

2.76

-7.15

-4.39
4 FRPRIFRPPF

2.01

-6.33

-4.32
5 FRPRKFRPPH

2.57

-6.86

-4.29
6 FRRRMFRPPH

2.37

-6.61

-4.24
7 FRPRRFRRPF

2.23

-6.37

-4.14
8 FRPRMFRPPF

2.82

-6.93

-4.11
9 FRPRIFRRPH

2.41

-6.45

-4.04
10 FRPRKFRRPH

2.77

-6.75

-3.98
11 FRRRRFRPPH

2.46

-6.34

-3.88
12 FRPRKFRDPF

2.17

-6.04

-3.87
13 FRPRKFRRPF

2.12

-5.78

-3.66
14 FRPRMFRMPH

2.42

-5.89

-3.47
15 FRPRRFRPPF

2.34

-5.8

-3.46
16 FRPRIFRDPF

2.46

-5.91

-3.45
17 FRPRKFRPPF

2.23

-5.68

-3.45
18 FRKRRFRPPH

2.53

-5.89

-3.36
19 FRPRRFRPPH

2.4

-5.69

-3.29
20 FRPRMFRRPH

2.64

-5.92

-3.28
21 FRPRKFRDPH

2.68

-5.92

-3.24
22 FRPRMFRRPF

2.23

-5.4

-3.17
23 FRPRRFRDPF

2.8

-5.9

-3.1
24 FRPRMFRDPH

3.32

-6.33

-3.01
25 FRPRMFRPPH

2.42

-5.25

-2.83
26 FRPRRFRDPH

2.56

-5.32

-2.76
27 FRPRMFRDPF

2.39

-4.84

-2.45
28 FRPRRFRRPH

2.64

-5.07

-2.43
29 FRPRIFRPPH

2.49

-4.85

-2.36
30 FRPRIFRDPH

3.14

-5.39

-2.25

 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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