Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-3.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 2.364 ΔGbinding 4.899
TOTAL
 7.263
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 1.547
Van der Waals -4.583 Backbone clash 0.105
Electrostatics -0.562 Helix dipole 0.000
Solvation Polar 5.412 Water bridges 0.011
Solvation Hyd -6.429 Disulfide 0.000
VdW clashes 5.859 Electrost. Kon -0.560
Entropy sc 0.594 Part.cov.bonds 0.000
Entropy mc

3.611

 ΔGstability

15.905
       

Predicted ligand sequences for model [MYO5_1ZUY-3.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-3.PDB  

(data)
# Predicted Sequences Value Calculate
1 PKKRKFWPMR 0.0
2 PKKRKFWPQR 0.06
3 PKKRRFWPMR 0.08
4 PKKRFFWPMR 0.12
5 PKKRRFWPQR 0.14
6 PKKRKFWDMR 0.16
7 PKKRFFWPQR 0.17
8 PKKRKFMPMR 0.18
9 PKKRKHWPMR 0.22
10 PKKRKFWDQR 0.22
11 PKKRKFMPQR 0.23
12 PKGRKFWPMR 0.23
13 PKKRRFWDMR 0.24
14 PKKRRFMPMR 0.26
15 PKKRKFRPMR 0.26
16 PKKRFFWDMR 0.27
17 PKKRKHWPQR 0.28
18 PKKRFFMPMR 0.29
19 PKKRRFWDQR 0.29
20 PKGRKFWPQR 0.29
21 PKKRRHWPMR 0.3
22 PKGRRFWPMR 0.31
23 PKKRRFMPQR 0.31
24 PKKRKFWPKR 0.32
25 PKKRKFRPQR 0.32
26 PKKRFFWDQR 0.33
27 PKKRRFRPMR 0.34
28 PKKRKFMDMR 0.34
29 PKKRFHWPMR 0.34
30 PKSRKFWPMR 0.34
31 PKKRFFMPQR 0.35
32 PKGRFFWPMR 0.35
33 PKKRRHWPQR 0.36
34 PKGRRFWPQR 0.37
35 PKKRFFRPMR 0.37
36 PKKRKHWDMR 0.38
37 PKKRKFMDQR 0.39
38 PKGRKFWDMR 0.39
39 PKSRKFWPQR 0.39
40 PKKRRFWPKR 0.4
41 PKKRRFRPQR 0.4
42 PKKRFHWPQR 0.4
43 PKGRFFWPQR 0.4
44 PKKRKHMPMR 0.4
45 PKKRRFMDMR 0.41
46 PKSRRFWPMR 0.41
47 PKGRKFMPMR 0.41
48 PKKRKFRDMR 0.42
49 PKKRFFRPQR 0.43
50 PKKRKHWDQR 0.44
51 PKKRKYWPMR 0.44
52 PKKRFFWPKR 0.44
53 PKSRFFWPMR 0.45
54 PKGRKHWPMR 0.45
55 PKGRKFWDQR 0.45
56 PKKRFFMDMR 0.45
57 PKKRKFWSMR 0.46
58 PKKRRHWDMR 0.46
59 PKKRKHMPQR 0.46
60 PKKRRFMDQR 0.47
61 PKSRRFWPQR 0.47
62 PKGRKFMPQR 0.47
63 PKGRRFWDMR 0.47
64 PKKRKFWDKR 0.48
65 PKKRRHMPMR 0.48
66 PKKRKHRPMR 0.48
67 PKKRKFRDQR 0.48
68 PKGRKFRPMR 0.49
69 PKGRRFMPMR 0.49
70 PRKRKFWPMR 0.49
71 PKSRKFWDMR 0.49
72 PKKRFHWDMR 0.5
73 PKKRRFRDMR 0.5
74 PKKRKYWPQR 0.5
75 PKKRKFMPKR 0.5
76 PKGRFFWDMR 0.51
77 PKSRKFMPMR 0.51
78 PKSRFFWPQR 0.51
79 PKKRFFMDQR 0.51
80 PKGRKHWPQR 0.51
81 PKKRRYWPMR 0.52
82 PKKRFHMPMR 0.52
83 PKKRRHWDQR 0.52
84 PKGRFFMPMR 0.52
85 PKKRKFWSQR 0.52
86 PKGRRFWDQR 0.53
87 PKKRFFRDMR 0.53
88 PKGRRHWPMR 0.53
89 PKGRRFMPQR 0.54
90 PKKRKHRPQR 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 PKKRFFMPMR

5.13

-7.18

-2.05
2 PKGRKFWPQR

4.66

-5.93

-1.27
3 PKKRRFMPMR

6.02

-7.28

-1.26
4 PKKRRFRPMR

4.71

-5.84

-1.13
5 PKKRRFMPQR

5.46

-6.54

-1.08
6 PKKRRFWDMR

4.72

-5.79

-1.07
7 PKGRRFWPMR

5.34

-6.33

-0.99
8 PKKRKFWPMR

5.82

-6.59

-0.77
9 PKKRKFMPMR

5.0

-5.75

-0.75
10 PKKRKFRPQR

5.63

-6.34

-0.71
11 PKKRFFWPMR

5.42

-5.85

-0.43
12 PKKRKFWDMR

6.2

-6.51

-0.31
13 PKKRKFMPQR

5.76

-6.04

-0.28
14 PKKRRFWPMR

5.71

-5.87

-0.16
15 PKKRKFMDMR

5.92

-5.99

-0.07
16 PKKRFFWDMR

5.69

-5.66

0.03
17 PKKRKFWDQR

5.85

-5.78

0.07
18 PKGRKFWPMR

5.54

-5.44

0.1
19 PKKRRHWPMR

5.03

-4.75

0.28
20 PKKRKFRPMR

5.58

-5.16

0.42
21 PKKRRFWPQR

5.73

-5.31

0.42
22 PKKRKFWPQR

5.99

-5.48

0.51
23 PKKRRFWDQR

5.76

-5.08

0.68
24 PKKRFFWPQR

5.82

-5.12

0.7
25 PKKRFFWDQR

5.56

-4.74

0.82
26 PKKRFHWPMR

5.79

-4.94

0.85
27 PKKRKFWPKR

5.74

-4.81

0.93
28 PKSRKFWPMR

5.83

-4.5

1.33
29 PKKRKHWPMR

6.24

-4.9

1.34
30 PKKRKHWPQR

6.14

-4.62

1.52

 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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