Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1VA7-2.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 1.745 ΔGbinding -2.723
TOTAL
 -0.978
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.994
Van der Waals -4.877 Backbone clash 0.055
Electrostatics -0.228 Helix dipole 0.000
Solvation Polar 5.321 Water bridges 0.000
Solvation Hyd -6.934 Disulfide 0.000
VdW clashes 0.942 Electrost. Kon -0.311
Entropy sc 0.800 Part.cov.bonds 0.000
Entropy mc

2.845

 ΔGstability

0.586
       

Predicted ligand sequences for model [MYO3_1VA7-2.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).
 
  MYO3_1VA7-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FKKRMFRERW 0.0
2 FKRRMFRERW 0.0
3 FKPRMFRERW 0.03
4 WKKRMFRERW 0.04
5 WKRRMFRERW 0.05
6 FKKRMFRDRW 0.07
7 WKPRMFRERW 0.07
8 FKRRMFRDRW 0.08
9 FKPRMFRDRW 0.1
10 WKKRMFRDRW 0.12
11 WKRRMFRDRW 0.12
12 WKPRMFRDRW 0.15
13 FKRRRFRERW 0.18
14 FKKRRFRERW 0.18
15 FKKRMFREMW 0.21
16 FKPRRFRERW 0.21
17 FKRRMFREMW 0.21
18 WKKRRFRERW 0.22
19 WKRRRFRERW 0.22
20 FKPRMFREMW 0.24
21 FKRRDFRERW 0.24
22 FKKRDFRERW 0.24
23 WKPRRFRERW 0.25
24 FKKRRFRDRW 0.25
25 WKKRMFREMW 0.25
26 FKRRRFRDRW 0.26
27 WKRRMFREMW 0.26
28 FKPRDFRERW 0.27
29 WKKRDFRERW 0.28
30 FKPRRFRDRW 0.28
31 WKPRMFREMW 0.28
32 WKRRDFRERW 0.28
33 FKRRMFRDMW 0.29
34 WKKRRFRDRW 0.29
35 HKKRMFRERW 0.29
36 HKRRMFRERW 0.29
37 FKKRMFRDMW 0.29
38 WKRRRFRDRW 0.3
39 FKKRDFRDRW 0.31
40 WKPRDFRERW 0.31
41 FKRRDFRDRW 0.32
42 HKPRMFRERW 0.32
43 FKPRMFRDMW 0.32
44 WKPRRFRDRW 0.33
45 WKKRMFRDMW 0.33
46 WKRRMFRDMW 0.33
47 FKKRMFRPRW 0.33
48 FKRRMFRPRW 0.34
49 FKPRDFRDRW 0.34
50 FKRRMFREPW 0.35
51 FKKRMFREPW 0.35
52 WKKRDFRDRW 0.35
53 WKRRDFRDRW 0.36
54 HKKRMFRDRW 0.36
55 FKPRMFRPRW 0.36
56 WKPRMFRDMW 0.36
57 HKRRMFRDRW 0.37
58 FKPRMFREPW 0.38
59 WKKRMFRPRW 0.38
60 WKRRMFRPRW 0.38
61 WKPRDFRDRW 0.38
62 FKKRMYRERW 0.39
63 HKPRMFRDRW 0.39
64 FKRRMYRERW 0.39
65 FKRRRFREMW 0.39
66 FKKRRFREMW 0.39
67 WKKRMFREPW 0.39
68 WKRRMFREPW 0.39
69 WKPRMFRPRW 0.41
70 FKKRMFRDPW 0.42
71 FKPRMYRERW 0.42
72 WKPRMFREPW 0.42
73 FKPRRFREMW 0.42
74 WKKRRFREMW 0.43
75 WKRRRFREMW 0.43
76 FKRRMFRDPW 0.43
77 WKRRMYRERW 0.43
78 WKKRMYRERW 0.43
79 FKRRDFREMW 0.45
80 FKKRDFREMW 0.45
81 FKPRMFRDPW 0.45
82 FKKRMYRDRW 0.46
83 WKPRRFREMW 0.46
84 FKKRRFRDMW 0.46
85 WKPRMYRERW 0.46
86 FKRRMYRDRW 0.47
87 WKRRMFRDPW 0.47
88 HKKRRFRERW 0.47
89 FKRRRFRDMW 0.47
90 HKRRRFRERW 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WKRRRFRERW

3.56

-5.01

-1.45
2 WKKRDFRERW

3.45

-4.8

-1.35
3 FKRRDFRERW

3.44

-4.64

-1.2
4 WKRRMFRERW

3.43

-4.58

-1.15
5 FKPRDFRERW

3.4

-4.54

-1.14
6 FKRRMFREMW

3.56

-4.68

-1.12
7 WKKRRFRERW

3.64

-4.75

-1.11
8 FKRRRFRDRW

3.92

-4.94

-1.02
9 WKPRMFRERW

3.34

-4.14

-0.8
10 FKPRMFRERW

2.88

-3.59

-0.71
11 FKKRDFRERW

3.63

-4.28

-0.65
12 FKKRMFRDRW

3.38

-4.01

-0.63
13 WKRRMFREMW

3.43

-3.99

-0.56
14 FKPRRFRERW

2.85

-3.36

-0.51
15 FKKRMFREMW

3.5

-3.99

-0.49
16 FKPRRFRDRW

3.7

-4.09

-0.39
17 FKKRRFRERW

2.96

-3.32

-0.36
18 FKPRMFREMW

3.38

-3.71

-0.33
19 FKRRMFRERW

3.35

-3.51

-0.16
20 FKRRMFRDRW

3.9

-4.04

-0.14
21 WKRRMFRDRW

2.82

-2.84

-0.02
22 WKKRMFRDRW

3.93

-3.92

0.01
23 WKPRRFRERW

3.54

-3.36

0.18
24 FKRRRFRERW

3.66

-3.46

0.2
25 FKPRMFRDRW

3.84

-3.41

0.43
26 WKKRMFREMW

4.09

-3.49

0.6
27 WKKRMFRERW

3.4

-2.61

0.79
28 WKPRMFRDRW

3.26

-2.2

1.06
29 FKKRRFRDRW

2.81

-1.74

1.07
30 FKKRMFRERW

4.82

-3.23

1.59

 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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