Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-18.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
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 0.628 ΔGbinding 0.888
TOTAL
 1.516
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.545
Van der Waals -3.428 Backbone clash 0.892
Electrostatics 0.125 Helix dipole 0.000
Solvation Polar 3.719 Water bridges 0.002
Solvation Hyd -4.648 Disulfide 0.000
VdW clashes 2.291 Electrost. Kon 0.163
Entropy sc 0.611 Part.cov.bonds 0.000
Entropy mc

2.782

 ΔGstability

9.260
       

Predicted ligand sequences for model [MYO5_1ZUY-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 YFPLHGRRWR 0.0
2 RFPLHGRRWR 0.04
3 YFPIHGRRWR 0.1
4 YFPLHGRRFR 0.1
5 RFPLHGRRFR 0.15
6 RFPIHGRRWR 0.15
7 YFPIHGRRFR 0.21
8 WFPLHGRRWR 0.22
9 YFFLHGRRWR 0.23
10 YFLLHGRRWR 0.25
11 RFPIHGRRFR 0.25
12 RFFLHGRRWR 0.27
13 RFLLHGRRWR 0.3
14 WFPIHGRRWR 0.33
15 YFFLHGRRFR 0.33
16 WFPLHGRRFR 0.33
17 YFFIHGRRWR 0.33
18 YFLLHGRRFR 0.35
19 YFLIHGRRWR 0.36
20 RFFLHGRRFR 0.37
21 RFFIHGRRWR 0.38
22 RFLLHGRRFR 0.4
23 RFLIHGRRWR 0.4
24 WFPIHGRRFR 0.43
25 YFFIHGRRFR 0.43
26 WFFLHGRRWR 0.45
27 YYPLHGRRWR 0.46
28 YFLIHGRRFR 0.46
29 RFFIHGRRFR 0.48
30 WFLLHGRRWR 0.48
31 YHPLHGRRWR 0.49
32 RFLIHGRRFR 0.5
33 YFPLHGHRWR 0.5
34 RYPLHGRRWR 0.51
35 RHPLHGRRWR 0.53
36 RFPLHGHRWR 0.54
37 WFFLHGRRFR 0.55
38 WFFIHGRRWR 0.56
39 YYPLHGRRFR 0.57
40 YYPIHGRRWR 0.57
41 WFLLHGRRFR 0.58
42 WFLIHGRRWR 0.58
43 YHPLHGRRFR 0.59
44 YHPIHGRRWR 0.59
45 YFPLHGHRFR 0.6
46 YFPIHGHRWR 0.6
47 RYPIHGRRWR 0.61
48 RYPLHGRRFR 0.61
49 RHPLHGRRFR 0.63
50 RFPLHGHRFR 0.64
51 RHPIHGRRWR 0.64
52 RFPIHGHRWR 0.65
53 WFFIHGRRFR 0.66
54 YYPIHGRRFR 0.67
55 WFLIHGRRFR 0.68
56 YYFLHGRRWR 0.69
57 YHPIHGRRFR 0.69
58 WYPLHGRRWR 0.69
59 YFPIHGHRFR 0.7
60 RYPIHGRRFR 0.71
61 WHPLHGRRWR 0.71
62 YHFLHGRRWR 0.71
63 WFPLHGHRWR 0.72
64 YYLLHGRRWR 0.72
65 YFFLHGHRWR 0.72
66 YHLLHGRRWR 0.74
67 RHPIHGRRFR 0.74
68 RYFLHGRRWR 0.74
69 RFPIHGHRFR 0.75
70 YFLLHGHRWR 0.75
71 RHFLHGRRWR 0.76
72 RYLLHGRRWR 0.76
73 RFFLHGHRWR 0.77
74 RHLLHGRRWR 0.78
75 YYFLHGRRFR 0.79
76 RFLLHGHRWR 0.79
77 WYPIHGRRWR 0.79
78 WYPLHGRRFR 0.79
79 YYFIHGRRWR 0.8
80 WHPIHGRRWR 0.81
81 WHPLHGRRFR 0.81
82 YHFLHGRRFR 0.81
83 YYLIHGRRWR 0.82
84 YHFIHGRRWR 0.82
85 WFPLHGHRFR 0.82
86 WFPIHGHRWR 0.82
87 YFFLHGHRFR 0.82
88 YYLLHGRRFR 0.82
89 YFFIHGHRWR 0.83
90 YHLLHGRRFR 0.84
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFPLHGRRWR

1.64

-7.78

-6.14
2 RFLLHGRRWR

1.48

-7.41

-5.93
3 YYPLHGRRWR

1.25

-7.16

-5.91
4 WFPLHGRRWR

1.41

-7.28

-5.87
5 YFPLHGRRWR

1.03

-6.79

-5.76
6 RFLIHGRRWR

1.77

-7.13

-5.36
7 WFFLHGRRWR

1.49

-6.82

-5.33
8 YFFLHGRRWR

1.38

-6.61

-5.23
9 WFLLHGRRWR

1.33

-6.47

-5.14
10 RFFIHGRRWR

1.51

-6.52

-5.01
11 RFFLHGRRWR

1.75

-6.68

-4.93
12 YFFIHGRRWR

1.68

-6.6

-4.92
13 YFFLHGRRFR

1.85

-6.71

-4.86
14 YFLLHGRRWR

2.2

-7.0

-4.8
15 YFPIHGRRWR

1.5

-6.11

-4.61
16 RFPIHGRRWR

1.79

-6.36

-4.57
17 YFLIHGRRWR

2.18

-6.69

-4.51
18 YFLIHGRRFR

2.28

-6.75

-4.47
19 RFPIHGRRFR

2.21

-6.6

-4.39
20 YFPLHGRRFR

2.47

-6.83

-4.36
21 YFPIHGRRFR

2.05

-6.37

-4.32
22 YFLLHGRRFR

2.24

-6.55

-4.31
23 WFPIHGRRFR

2.22

-6.44

-4.22
24 YFFIHGRRFR

2.38

-6.5

-4.12
25 WFPIHGRRWR

2.15

-6.22

-4.07
26 RFFIHGRRFR

2.54

-6.55

-4.01
27 RFLLHGRRFR

2.26

-6.15

-3.89
28 RFPLHGRRFR

2.73

-6.56

-3.83
29 RFFLHGRRFR

2.28

-6.01

-3.73
30 WFPLHGRRFR

2.19

-5.59

-3.4

 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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