Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-21.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
 G
G
 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 0.687 ΔGbinding -0.023
TOTAL
 0.664
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.080
Van der Waals -1.263 Backbone clash 0.219
Electrostatics 0.032 Helix dipole 0.000
Solvation Polar 1.634 Water bridges -0.213
Solvation Hyd -1.693 Disulfide 0.000
VdW clashes 0.161 Electrost. Kon 0.041
Entropy sc 0.281 Part.cov.bonds 0.000
Entropy mc

2.191

 ΔGstability

12.115
       

Predicted ligand sequences for model [MYO5_1ZUY-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EHKIGRPTRK 0.0
2 EFKIGRPTRK 0.01
3 EKKIGRPTRK 0.1
4 EHKIGRPTMK 0.12
5 EFKIGRPTMK 0.14
6 EHKMGRPTRK 0.17
7 EFKMGRPTRK 0.19
8 EKKIGRPTMK 0.22
9 EKKMGRPTRK 0.28
10 EHKIRRPTRK 0.3
11 EHKMGRPTMK 0.3
12 EFKMGRPTMK 0.31
13 EFKIRRPTRK 0.31
14 EHKIGRETRK 0.35
15 EHKIGRTTRK 0.35
16 EHKIGRPTFK 0.36
17 EFKIGRETRK 0.36
18 EFKIGRTTRK 0.37
19 EFKIGRPTFK 0.38
20 EHKIHRPTRK 0.38
21 EKKMGRPTMK 0.4
22 EKKIRRPTRK 0.4
23 EFKIHRPTRK 0.4
24 YHKIGRPTRK 0.4
25 YFKIGRPTRK 0.41
26 EHKIRRPTMK 0.42
27 EFKIRRPTMK 0.43
28 EKKIGRETRK 0.45
29 EKKIGRPTFK 0.46
30 EKKIGRTTRK 0.46
31 EHKMRRPTRK 0.47
32 EHKIGRETMK 0.47
33 EFKIGRETMK 0.48
34 EHKIGRTTMK 0.48
35 EFKMRRPTRK 0.48
36 EKKIHRPTRK 0.48
37 EFKIGRTTMK 0.49
38 YKKIGRPTRK 0.5
39 EHKIHRPTMK 0.51
40 YHKIGRPTMK 0.52
41 EHKMGRETRK 0.52
42 EKKIRRPTMK 0.52
43 EFKIHRPTMK 0.52
44 EHKMGRTTRK 0.53
45 YFKIGRPTMK 0.53
46 EHKMGRPTFK 0.54
47 EFKMGRTTRK 0.54
48 EFKMGRETRK 0.54
49 EFKMGRPTFK 0.55
50 EHKMHRPTRK 0.56
51 EFKMHRPTRK 0.57
52 YHKMGRPTRK 0.57
53 EKKMRRPTRK 0.57
54 EKKIGRETMK 0.57
55 EKKIGRTTMK 0.58
56 YFKMGRPTRK 0.58
57 EHKMRRPTMK 0.59
58 EFKMRRPTMK 0.61
59 EKKIHRPTMK 0.61
60 EKKMGRETRK 0.62
61 YKKIGRPTMK 0.62
62 EKKMGRTTRK 0.63
63 EHKIRRETRK 0.64
64 EKKMGRPTFK 0.64
65 EHKMGRETMK 0.65
66 EHKIRRTTRK 0.65
67 EHKMGRTTMK 0.65
68 EFKMGRETMK 0.66
69 EHKIRRPTFK 0.66
70 EFKIRRETRK 0.66
71 EKKMHRPTRK 0.66
72 EFKIRRTTRK 0.67
73 EFKMGRTTMK 0.67
74 YKKMGRPTRK 0.67
75 EFKIRRPTFK 0.67
76 EHKMHRPTMK 0.68
77 EFKMHRPTMK 0.69
78 YHKMGRPTMK 0.69
79 YHKIRRPTRK 0.69
80 EKKMRRPTMK 0.7
81 YFKIRRPTRK 0.71
82 EHKIGRETFK 0.71
83 YFKMGRPTMK 0.71
84 EFKIGRETFK 0.72
85 EHKIGRTTFK 0.72
86 EFKIGRTTFK 0.73
87 EHKIHRETRK 0.73
88 YHKIGRETRK 0.74
89 EHKIHRTTRK 0.74
90 EFKIHRETRK 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EFKMGRPTMK

2.13

-7.8

-5.67
2 EFKIGRPTMK

2.12

-6.89

-4.77
3 EKKMGRPTMK

2.13

-6.15

-4.02
4 EFKIGRTTRK

2.25

-6.27

-4.02
5 EFKMGRPTRK

2.2

-6.2

-4.0
6 EFKIGRPTFK

1.85

-5.81

-3.96
7 EHKMGRPTMK

1.98

-5.84

-3.86
8 EHKMGRPTRK

2.0

-5.79

-3.79
9 EFKIGRPTRK

2.18

-5.92

-3.74
10 EFKIRRPTMK

3.03

-6.75

-3.72
11 EFKIGRETRK

2.08

-5.68

-3.6
12 EHKIGRPTFK

2.01

-5.57

-3.56
13 EHKIGRPTMK

2.01

-5.43

-3.42
14 YFKIGRPTRK

2.41

-5.37

-2.96
15 EFKIHRPTRK

3.26

-6.06

-2.8
16 EKKIGRPTMK

2.05

-4.82

-2.77
17 EHKIHRPTRK

3.18

-5.87

-2.69
18 EHKIGRPTRK

2.11

-4.72

-2.61
19 EKKMGRPTRK

2.17

-4.76

-2.59
20 EHKIGRTTRK

1.95

-4.54

-2.59
21 YHKIGRPTRK

1.97

-4.28

-2.31
22 EHKIRRPTMK

3.44

-5.44

-2.0
23 EHKIGRETRK

2.29

-4.21

-1.92
24 EFKIRRPTRK

3.09

-4.95

-1.86
25 EKKIRRPTRK

3.39

-5.07

-1.68
26 EKKIGRETRK

2.29

-3.93

-1.64
27 EHKIRRPTRK

3.02

-4.54

-1.52
28 EKKIGRPTFK

2.9

-4.3

-1.4
29 EKKIGRPTRK

2.85

-4.22

-1.37
30 EKKIGRTTRK

2.99

-3.53

-0.54

 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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