Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-2.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 1.005 ΔGbinding -3.351
TOTAL
 -2.346
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.766
Van der Waals -4.562 Backbone clash 0.025
Electrostatics -0.187 Helix dipole 0.000
Solvation Polar 4.956 Water bridges 0.061
Solvation Hyd -6.486 Disulfide 0.000
VdW clashes 0.492 Electrost. Kon -0.247
Entropy sc 0.783 Part.cov.bonds 0.000
Entropy mc

2.349

 ΔGstability

2.590
       

Predicted ligand sequences for model [MYO5_1ZUY-2.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_1ZUY-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRPRMFRERW 0.0
2 FRPRMFRERW 0.01
3 WRRRMFRERW 0.03
4 WRKRMFRERW 0.03
5 FRKRMFRERW 0.04
6 FRRRMFRERW 0.04
7 WRPRMFRDRW 0.06
8 FRPRMFRDRW 0.07
9 WRKRMFRDRW 0.09
10 WRRRMFRDRW 0.09
11 FRRRMFRDRW 0.1
12 FRKRMFRDRW 0.1
13 HRPRMFRERW 0.13
14 HRKRMFRERW 0.16
15 HRRRMFRERW 0.16
16 HRPRMFRDRW 0.19
17 HRRRMFRDRW 0.22
18 HRKRMFRDRW 0.22
19 WRPRRFRERW 0.26
20 FRPRRFRERW 0.26
21 WRPRDFRERW 0.27
22 FRPRDFRERW 0.28
23 WRRRRFRERW 0.29
24 FRRRRFRERW 0.29
25 FRPRMFRPRW 0.29
26 FRKRRFRERW 0.29
27 WRPRMFRPRW 0.29
28 WRKRRFRERW 0.29
29 WRRRDFRERW 0.3
30 WRKRDFRERW 0.3
31 FRRRDFRERW 0.31
32 FRKRDFRERW 0.31
33 FRKRMFRPRW 0.32
34 WRPRRFRDRW 0.32
35 WRKRMFRPRW 0.32
36 FRRRMFRPRW 0.32
37 WRRRMFRPRW 0.32
38 FRPRRFRDRW 0.33
39 FRPRDFRDRW 0.34
40 WRPRDFRDRW 0.34
41 WRRRRFRDRW 0.35
42 WRKRRFRDRW 0.35
43 FRKRRFRDRW 0.36
44 FRRRRFRDRW 0.36
45 WRRRDFRDRW 0.37
46 FRKRDFRDRW 0.37
47 FRRRDFRDRW 0.37
48 WRKRDFRDRW 0.37
49 HRPRRFRERW 0.39
50 HRPRDFRERW 0.4
51 HRKRRFRERW 0.41
52 HRRRRFRERW 0.42
53 HRPRMFRPRW 0.42
54 HRKRDFRERW 0.43
55 HRRRDFRERW 0.43
56 HRKRMFRPRW 0.44
57 HRPRRFRDRW 0.45
58 HRRRMFRPRW 0.45
59 WRPRMFRERH 0.46
60 FRPRMFRERH 0.46
61 HRPRDFRDRW 0.47
62 HRKRRFRDRW 0.48
63 WRKRMFRERH 0.48
64 HRRRRFRDRW 0.48
65 FRKRMFRERH 0.49
66 WRRRMFRERH 0.49
67 HRKRDFRDRW 0.49
68 FRRRMFRERH 0.49
69 HRRRDFRDRW 0.5
70 WRPRMFRDRH 0.52
71 FRPRMFRDRH 0.53
72 WRPRRFRPRW 0.54
73 WRKRMFRDRH 0.55
74 FRPRRFRPRW 0.55
75 WRRRMFRDRH 0.55
76 FRRRMFRDRH 0.56
77 FRKRMFRDRH 0.56
78 WRPRDFRPRW 0.56
79 FRPRDFRPRW 0.57
80 WRKRRFRPRW 0.57
81 WRRRRFRPRW 0.57
82 FRKRRFRPRW 0.58
83 HRPRMFRERH 0.58
84 FRRRRFRPRW 0.58
85 FRKRDFRPRW 0.59
86 WRRRDFRPRW 0.59
87 WRKRDFRPRW 0.59
88 FRRRDFRPRW 0.6
89 HRRRMFRERH 0.61
90 HRKRMFRERH 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WRKRMFRERW

2.45

-7.26

-4.81
2 WRRRMFRDRW

3.89

-8.42

-4.53
3 FRKRMFRDRW

2.57

-7.0

-4.43
4 FRKRRFRERW

3.16

-7.43

-4.27
5 FRRRRFRERW

2.71

-6.83

-4.12
6 HRRRMFRDRW

3.44

-7.08

-3.64
7 FRPRMFRERW

2.15

-5.68

-3.53
8 FRRRMFRDRW

3.73

-6.93

-3.2
9 WRKRDFRERW

3.48

-6.6

-3.12
10 WRKRRFRERW

2.61

-5.56

-2.95
11 WRRRRFRERW

3.65

-6.56

-2.91
12 FRPRDFRERW

3.61

-6.06

-2.45
13 WRPRDFRERW

3.5

-5.81

-2.31
14 FRPRMFRPRW

3.82

-5.53

-1.71
15 FRPRRFRERW

4.14

-5.78

-1.64
16 HRRRMFRERW

3.05

-4.14

-1.09
17 WRKRMFRDRW

3.17

-4.22

-1.05
18 FRPRMFRDRW

3.69

-4.71

-1.02
19 WRRRMFRERW

4.47

-5.43

-0.96
20 FRRRMFRERW

3.15

-4.05

-0.9
21 FRKRMFRERW

3.13

-4.01

-0.88
22 HRKRMFRDRW

3.45

-4.27

-0.82
23 WRRRDFRERW

3.99

-4.81

-0.82
24 HRPRMFRDRW

3.24

-3.81

-0.57
25 HRKRMFRERW

3.39

-3.84

-0.45
26 HRPRMFRERW

3.49

-3.73

-0.24
27 WRPRMFRPRW

3.63

-3.78

-0.15
28 WRPRRFRERW

4.15

-4.13

0.02
29 WRPRMFRDRW

3.22

-2.97

0.25
30 WRPRMFRERW

3.35

-2.06

1.29

 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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