Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-17.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
poly-Ala
A
A
 A
A
A
G
 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 0.525 ΔGbinding -2.341
TOTAL
 -1.816
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.183
Van der Waals -4.374 Backbone clash 0.022
Electrostatics 0.190 Helix dipole 0.000
Solvation Polar 4.530 Water bridges -0.042
Solvation Hyd -6.058 Disulfide 0.000
VdW clashes 0.752 Electrost. Kon 0.235
Entropy sc 0.574 Part.cov.bonds 0.000
Entropy mc

4.220

 ΔGstability

7.206
       

Predicted ligand sequences for model [MYO5_1ZUY-17.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-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWMRGRHY 0.0
2 RRFMRGRHY 0.05
3 RRYMRGRHY 0.15
4 RRWIRGRHY 0.21
5 RRLMRGRHY 0.25
6 RRWMWGRHY 0.25
7 RRFIRGRHY 0.26
8 YRWMRGRHY 0.29
9 RRFMWGRHY 0.29
10 YRFMRGRHY 0.34
11 RRYIRGRHY 0.36
12 RRYMWGRHY 0.39
13 YRYMRGRHY 0.44
14 RRWMRGKHY 0.45
15 RRLIRGRHY 0.46
16 RRWIWGRHY 0.46
17 RRWMRGYHY 0.47
18 RRFIWGRHY 0.5
19 RRLMWGRHY 0.5
20 RRFMRGKHY 0.5
21 YRWIRGRHY 0.51
22 RRFMRGYHY 0.52
23 YRWMWGRHY 0.54
24 YRLMRGRHY 0.54
25 YRFIRGRHY 0.55
26 YRFMWGRHY 0.59
27 RRYMRGKHY 0.6
28 RRYIWGRHY 0.6
29 RRYMRGYHY 0.61
30 YRYIRGRHY 0.65
31 RRWIRGKHY 0.66
32 RRWIRGYHY 0.68
33 YRYMWGRHY 0.69
34 RRLMRGKHY 0.7
35 RRWMWGKHY 0.7
36 RRLIWGRHY 0.71
37 RRFIRGKHY 0.71
38 RRWMWGYHY 0.71
39 RRLMRGYHY 0.72
40 RRFIRGYHY 0.73
41 YRWMRGKHY 0.75
42 YRWIWGRHY 0.75
43 RRFMWGKHY 0.75
44 YRLIRGRHY 0.75
45 RRFMWGYHY 0.76
46 YRWMRGYHY 0.76
47 YRFMRGKHY 0.79
48 YRLMWGRHY 0.79
49 YRFIWGRHY 0.8
50 YRFMRGYHY 0.81
51 RRYIRGKHY 0.81
52 RRYIRGYHY 0.82
53 RRYMWGKHY 0.84
54 RRYMWGYHY 0.86
55 YRYMRGKHY 0.89
56 YRYIWGRHY 0.9
57 RRWIWGKHY 0.91
58 YRYMRGYHY 0.91
59 RRLIRGKHY 0.91
60 RRWIWGYHY 0.92
61 RRLIRGYHY 0.93
62 RRLMWGKHY 0.95
63 RRLMWGYHY 0.96
64 YRWIRGKHY 0.96
65 RRFIWGKHY 0.96
66 YRWIRGYHY 0.97
67 RRFIWGYHY 0.97
68 YRWMWGKHY 0.99
69 YRFIRGKHY 1.0
70 YRLMRGKHY 1.0
71 YRLIWGRHY 1.0
72 YRWMWGYHY 1.01
73 YRLMRGYHY 1.01
74 YRFIRGYHY 1.02
75 YRFMWGKHY 1.04
76 RRYIWGKHY 1.05
77 YRFMWGYHY 1.06
78 RRYIWGYHY 1.07
79 YRYIRGKHY 1.1
80 YRYIRGYHY 1.12
81 YRYMWGKHY 1.14
82 YRYMWGYHY 1.16
83 RRLIWGKHY 1.16
84 RRLIWGYHY 1.17
85 YRWIWGKHY 1.2
86 YRLIRGKHY 1.21
87 YRLIRGYHY 1.22
88 YRWIWGYHY 1.22
89 YRLMWGKHY 1.24
90 YRFIWGKHY 1.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRFMRGRHY

1.96

-10.77

-8.81
2 RRYIWGRHY

1.85

-10.43

-8.58
3 RRWMRGRHY

1.99

-10.5

-8.51
4 RRFIRGRHY

1.6

-9.75

-8.15
5 RRLIRGRHY

2.27

-10.23

-7.96
6 YRLMRGRHY

1.51

-9.36

-7.85
7 RRWIRGRHY

1.8

-9.62

-7.82
8 YRWMRGRHY

1.68

-9.4

-7.72
9 YRFIRGRHY

1.43

-9.05

-7.62
10 RRLMRGRHY

1.71

-9.33

-7.62
11 YRYIRGRHY

1.56

-9.06

-7.5
12 RRYMRGYHY

1.62

-8.93

-7.31
13 RRFMRGKHY

1.58

-8.79

-7.21
14 RRWMRGYHY

1.68

-8.82

-7.14
15 YRWIRGRHY

2.0

-9.04

-7.04
16 RRYMRGRHY

1.5

-8.54

-7.04
17 YRFMWGRHY

2.15

-9.18

-7.03
18 RRWMWGRHY

2.54

-9.43

-6.89
19 RRFIWGRHY

1.62

-8.35

-6.73
20 RRWIWGRHY

2.18

-8.9

-6.72
21 RRYMRGKHY

1.72

-8.18

-6.46
22 RRFMWGRHY

2.31

-8.51

-6.2
23 RRLMWGRHY

2.43

-8.4

-5.97
24 RRFMRGYHY

1.56

-7.3

-5.74
25 YRWMWGRHY

1.96

-7.67

-5.71
26 YRFMRGRHY

1.52

-7.07

-5.55
27 YRYMRGRHY

1.76

-7.19

-5.43
28 RRYIRGRHY

3.03

-8.4

-5.37
29 RRYMWGRHY

2.57

-7.85

-5.28
30 RRWMRGKHY

1.8

-6.79

-4.99

 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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