Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1R6S-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 1.470 ΔGbinding -4.260
TOTAL
 -2.790
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.935
Van der Waals -4.972 Backbone clash 0.052
Electrostatics -0.253 Helix dipole 0.000
Solvation Polar 5.462 Water bridges -0.011
Solvation Hyd -7.060 Disulfide 0.000
VdW clashes 0.273 Electrost. Kon -0.318
Entropy sc 0.837 Part.cov.bonds 0.000
Entropy mc

2.121

 ΔGstability

4.336
       

Predicted ligand sequences for model [MYO5_1R6S-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_1R6S-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 WKPRMFRERW 0.0
2 WKPRRFRERW 0.01
3 WKPRRFRPRW 0.07
4 WKPRMFRPRW 0.07
5 WKPRMFRDRW 0.07
6 WKPRRFRDRW 0.08
7 WKPRKFRERW 0.17
8 WKRRMFRERW 0.22
9 WKRRRFRERW 0.22
10 WKPRKFRPRW 0.23
11 WKPRKFRDRW 0.24
12 WKKRMFRERW 0.24
13 WKKRRFRERW 0.25
14 WKRRMFRPRW 0.28
15 WKRRRFRDRW 0.29
16 WKRRRFRPRW 0.29
17 WKRRMFRDRW 0.29
18 HKPRMFRERW 0.31
19 HKPRRFRERW 0.31
20 WKKRMFRDRW 0.31
21 WKKRMFRPRW 0.31
22 WKKRRFRPRW 0.31
23 WKKRRFRDRW 0.32
24 FKPRMFRERW 0.33
25 FKPRRFRERW 0.34
26 WKRRKFRERW 0.38
27 HKPRMFRPRW 0.38
28 HKPRMFRDRW 0.38
29 HKPRRFRPRW 0.38
30 HKPRRFRDRW 0.39
31 FKPRMFRPRW 0.4
32 FKPRMFRDRW 0.4
33 FKPRRFRPRW 0.4
34 WKKRKFRERW 0.41
35 FKPRRFRDRW 0.41
36 WKPRMFRERH 0.41
37 WKPRRFRERH 0.42
38 WKPRRFREMW 0.45
39 WKRRKFRPRW 0.45
40 WKRRKFRDRW 0.45
41 WKPRMFREMW 0.45
42 WKKRKFRPRW 0.47
43 HKPRKFRERW 0.47
44 WKPRRFRPRH 0.48
45 WKPRMFRPRH 0.48
46 WKPRMFRDRH 0.48
47 WKKRKFRDRW 0.48
48 WKPRRFRDRH 0.49
49 FKPRKFRERW 0.49
50 WKPRRFRPMW 0.52
51 HKRRMFRERW 0.52
52 WKPRMFRPMW 0.52
53 WKPRMFRDMW 0.52
54 HKRRRFRERW 0.53
55 WKPRRFRDMW 0.53
56 HKPRKFRDRW 0.54
57 HKPRKFRPRW 0.54
58 HKKRMFRERW 0.55
59 FKRRRFRERW 0.55
60 FKRRMFRERW 0.55
61 FKPRKFRPRW 0.56
62 HKKRRFRERW 0.56
63 FKKRMFRERW 0.57
64 FKPRKFRDRW 0.57
65 WKPRKFRERH 0.58
66 FKKRRFRERW 0.58
67 HKRRMFRPRW 0.59
68 HKRRMFRDRW 0.6
69 HKRRRFRDRW 0.6
70 HKRRRFRPRW 0.6
71 WKPRKFREMW 0.61
72 FKRRMFRPRW 0.61
73 FKRRMFRDRW 0.62
74 HKKRMFRPRW 0.62
75 FKRRRFRPRW 0.62
76 HKKRMFRDRW 0.62
77 FKRRRFRDRW 0.62
78 HKKRRFRPRW 0.62
79 WKRRMFRERH 0.63
80 WKRRRFRERH 0.63
81 HKKRRFRDRW 0.63
82 FKKRRFRPRW 0.64
83 FKKRMFRDRW 0.64
84 FKKRMFRPRW 0.64
85 WKPRKFRPRH 0.64
86 FKKRRFRDRW 0.65
87 WKPRKFRDRH 0.65
88 WKKRMFRERH 0.65
89 WKKRRFRERH 0.66
90 WKRRRFREMW 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HKPRMFRPRW

1.6

-4.94

-3.34
2 WKRRRFRERW

4.27

-7.26

-2.99
3 WKKRRFRPRW

2.12

-5.08

-2.96
4 WKKRRFRDRW

2.98

-5.66

-2.68
5 WKKRRFRERW

2.79

-5.4

-2.61
6 WKRRMFRPRW

3.08

-5.64

-2.56
7 WKKRMFRPRW

3.35

-5.53

-2.18
8 WKRRRFRDRW

4.92

-7.08

-2.16
9 WKPRMFRPRW

4.33

-6.25

-1.92
10 WKPRMFRERW

2.49

-4.39

-1.9
11 WKRRMFRERW

5.54

-7.31

-1.77
12 FKPRMFRERW

3.64

-5.39

-1.75
13 WKRRRFRPRW

3.68

-5.17

-1.49
14 WKRRKFRERW

3.35

-4.8

-1.45
15 WKPRRFRERW

3.61

-4.96

-1.35
16 WKPRRFRDRW

3.59

-4.88

-1.29
17 WKKRMFRERW

3.59

-4.8

-1.21
18 HKPRRFRDRW

3.65

-4.68

-1.03
19 HKPRRFRERW

3.64

-4.63

-0.99
20 HKPRMFRDRW

3.76

-4.58

-0.82
21 HKPRRFRPRW

3.57

-4.38

-0.81
22 WKPRKFRERW

3.94

-4.68

-0.74
23 WKPRKFRDRW

3.42

-4.02

-0.6
24 HKPRMFRERW

3.54

-4.11

-0.57
25 WKPRKFRPRW

5.16

-5.39

-0.23
26 WKPRRFRPRW

4.21

-4.39

-0.18
27 WKPRMFRDRW

4.04

-4.17

-0.13
28 WKKRMFRDRW

5.26

-5.34

-0.08
29 WKRRMFRDRW

3.3

-3.35

-0.05
30 FKPRRFRERW

4.15

-4.04

0.11

 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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