Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-10.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.778 ΔGbinding 2.094
TOTAL
 2.872
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.882
Van der Waals -3.860 Backbone clash 2.537
Electrostatics 0.112 Helix dipole 0.000
Solvation Polar 4.152 Water bridges 0.000
Solvation Hyd -5.125 Disulfide 0.000
VdW clashes 4.043 Electrost. Kon 0.136
Entropy sc 0.288 Part.cov.bonds 0.000
Entropy mc

2.740

 ΔGstability

10.804
       

Predicted ligand sequences for model [MYO5_1ZUY-10.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-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRRIGWMR 0.0
2 YKRIGWMR 0.03
3 YRWIGWMR 0.07
4 YRFIGWMR 0.09
5 YKWIGWMR 0.1
6 YKFIGWMR 0.12
7 YRRIGMMR 0.17
8 YKRIGMMR 0.2
9 YRRIGIMR 0.23
10 YRWIGMMR 0.23
11 YRFIGMMR 0.25
12 YKWIGMMR 0.26
13 YKRIGIMR 0.26
14 YRRIGWWR 0.28
15 YKFIGMMR 0.28
16 YRWIGIMR 0.3
17 YKRIGWWR 0.31
18 YERIGWMR 0.31
19 YRFIGIMR 0.32
20 YKWIGIMR 0.33
21 YRWIGWWR 0.34
22 YKFIGIMR 0.35
23 YRFIGWWR 0.36
24 YKWIGWWR 0.37
25 YRRIGWHR 0.38
26 YEWIGWMR 0.38
27 YKFIGWWR 0.39
28 YEFIGWMR 0.4
29 YKRIGWHR 0.41
30 YRRIGMWR 0.44
31 YRWIGWHR 0.44
32 YRFIGWHR 0.46
33 YKWIGWHR 0.47
34 YKRIGMWR 0.47
35 YERIGMMR 0.48
36 MRRIGWMR 0.49
37 YKFIGWHR 0.49
38 YRRIGIWR 0.51
39 YRWIGMWR 0.51
40 MKRIGWMR 0.52
41 YRFIGMWR 0.53
42 YKWIGMWR 0.54
43 YKRIGIWR 0.54
44 YRRIGMHR 0.54
45 YEWIGMMR 0.55
46 YERIGIMR 0.55
47 YKFIGMWR 0.56
48 MRWIGWMR 0.56
49 YEFIGMMR 0.57
50 YKRIGMHR 0.57
51 YRWIGIWR 0.57
52 MRFIGWMR 0.58
53 MKWIGWMR 0.59
54 YERIGWWR 0.59
55 YRFIGIWR 0.59
56 YKWIGIWR 0.6
57 MKFIGWMR 0.61
58 YEWIGIMR 0.61
59 YRRIGIHR 0.61
60 YRWIGMHR 0.61
61 YKFIGIWR 0.62
62 YEFIGIMR 0.63
63 YRFIGMHR 0.63
64 YKRIGIHR 0.64
65 YKWIGMHR 0.64
66 YKFIGMHR 0.66
67 MRRIGMMR 0.66
68 YEWIGWWR 0.66
69 YRWIGIHR 0.67
70 YEFIGWWR 0.68
71 YRFIGIHR 0.69
72 YERIGWHR 0.69
73 MKRIGMMR 0.69
74 YKWIGIHR 0.7
75 YKFIGIHR 0.72
76 MRRIGIMR 0.73
77 MRWIGMMR 0.73
78 MRFIGMMR 0.75
79 YERIGMWR 0.76
80 MKWIGMMR 0.76
81 YEWIGWHR 0.76
82 MKRIGIMR 0.76
83 MRRIGWWR 0.77
84 YEFIGWHR 0.78
85 MKFIGMMR 0.78
86 MRWIGIMR 0.79
87 MKRIGWWR 0.8
88 MERIGWMR 0.81
89 MRFIGIMR 0.81
90 YEWIGMWR 0.82
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YRRIGMMR

2.36

-7.45

-5.09
2 YRFIGWMR

2.16

-7.24

-5.08
3 YKRIGMMR

1.99

-6.88

-4.89
4 YKWIGWMR

1.88

-6.63

-4.75
5 YRRIGWWR

2.24

-6.98

-4.74
6 YKFIGMMR

1.94

-6.62

-4.68
7 YEWIGWMR

2.45

-7.08

-4.63
8 YKWIGIMR

1.91

-6.51

-4.6
9 YERIGWMR

2.04

-6.62

-4.58
10 YEFIGWMR

2.32

-6.87

-4.55
11 YRWIGWWR

2.41

-6.91

-4.5
12 YRRIGWMR

2.66

-7.14

-4.48
13 YKWIGMMR

2.2

-6.66

-4.46
14 YKRIGWMR

2.11

-6.53

-4.42
15 YRWIGMMR

2.09

-6.5

-4.41
16 YKRIGIMR

1.9

-6.27

-4.37
17 YRRIGWHR

1.99

-6.23

-4.24
18 YKFIGIMR

2.28

-6.52

-4.24
19 YRFIGIMR

2.04

-6.24

-4.2
20 YKFIGWMR

2.3

-6.5

-4.2
21 YRFIGMMR

2.28

-6.31

-4.03
22 YRWIGWMR

2.42

-6.44

-4.02
23 YKFIGWWR

2.61

-6.57

-3.96
24 YRFIGWWR

2.16

-6.1

-3.94
25 YRWIGIMR

2.33

-6.2

-3.87
26 YRRIGIMR

2.49

-6.19

-3.7
27 YKRIGWHR

1.93

-5.62

-3.69
28 YRRIGMWR

2.44

-6.12

-3.68
29 YKRIGWWR

2.47

-6.06

-3.59
30 YKWIGWWR

2.78

-6.26

-3.48

 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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