Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1YP5-8.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 1.837 ΔGbinding 1.387
TOTAL
 3.224
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.783
Van der Waals -3.923 Backbone clash 2.677
Electrostatics 0.130 Helix dipole 0.000
Solvation Polar 5.094 Water bridges 0.013
Solvation Hyd -4.923 Disulfide 0.000
VdW clashes 2.830 Electrost. Kon 0.168
Entropy sc 0.777 Part.cov.bonds 0.000
Entropy mc

3.488

 ΔGstability

12.216
       

Predicted ligand sequences for model [MYO5_1YP5-8.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_1YP5-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPPMMER 0.0
2 FWPPMMER 0.01
3 RWPPMLER 0.02
4 HWPPMMER 0.03
5 FWPPMLER 0.04
6 HWPPMLER 0.05
7 RWPPMMDR 0.11
8 RWPYMMER 0.12
9 FWPPMMDR 0.12
10 HWPPMMDR 0.13
11 RWPPMLDR 0.13
12 FWPYMMER 0.14
13 FWPPMLDR 0.15
14 HWPYMMER 0.15
15 RWPYMLER 0.15
16 FWPYMLER 0.16
17 HWPPMLDR 0.16
18 HWPYMLER 0.17
19 RWPPMMEE 0.18
20 FWPPMMEE 0.19
21 HWPPMMEE 0.2
22 RWPPMLEE 0.2
23 RWPPMHER 0.2
24 FWPPMLEE 0.21
25 FWPPMHER 0.21
26 RWPFMMER 0.23
27 HWPPMHER 0.23
28 RWPYMMDR 0.23
29 HWPPMLEE 0.23
30 FWPYMMDR 0.24
31 FWPFMMER 0.25
32 RWPYMLDR 0.25
33 HWPFMMER 0.26
34 HWPYMMDR 0.26
35 RWPPMMHR 0.26
36 RWPFMLER 0.26
37 FWPPMMHR 0.27
38 FWPFMLER 0.27
39 FWPYMLDR 0.27
40 HWPYMLDR 0.28
41 RWPPIMER 0.28
42 HWPFMLER 0.28
43 RWPPMMDE 0.28
44 RWPPMLHR 0.28
45 FWPPIMER 0.29
46 HWPPMMHR 0.29
47 RWPYMMEE 0.3
48 RWPPILER 0.3
49 HWPPIMER 0.3
50 RWPPMHDR 0.3
51 FWPPMMDE 0.3
52 FWPPMLHR 0.3
53 RWPPMLDE 0.31
54 FWPPILER 0.31
55 HWPPMLHR 0.31
56 FWPYMMEE 0.31
57 HWPPMMDE 0.31
58 RWPYMHER 0.32
59 HWPYMMEE 0.32
60 FWPPMHDR 0.32
61 FWPPMLDE 0.32
62 RWPYMLEE 0.32
63 HWPPMHDR 0.33
64 HWPPILER 0.33
65 HWPPMLDE 0.33
66 FWPYMLEE 0.34
67 RWPFMMDR 0.34
68 FWPYMHER 0.34
69 HWPYMHER 0.35
70 HWPYMLEE 0.35
71 FWPFMMDR 0.35
72 RWPFMLDR 0.36
73 RWPPMHEE 0.37
74 HWPFMMDR 0.37
75 FWPFMLDR 0.38
76 RWPPIMDR 0.38
77 RWPYMMHR 0.38
78 HWPFMLDR 0.39
79 FWPPMHEE 0.39
80 RWPPRMER 0.4
81 RWPYIMER 0.4
82 FWPPIMDR 0.4
83 HWPPMHEE 0.4
84 RWPYMMDE 0.4
85 FWPYMMHR 0.4
86 FWPYIMER 0.41
87 RWPYMLHR 0.41
88 RWPFMMEE 0.41
89 HWPYMMHR 0.41
90 HWPPIMDR 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HWPPMLER

2.28

-5.04

-2.76
2 RWPYMLER

3.23

-5.54

-2.31
3 RWPPMHER

3.55

-5.34

-1.79
4 HWPPMLDR

3.59

-5.32

-1.73
5 HWPPMMDR

2.43

-4.11

-1.68
6 RWPPMLER

2.84

-4.46

-1.62
7 FWPYMLER

3.42

-4.97

-1.55
8 RWPPMMDR

1.94

-3.33

-1.39
9 RWPPMMER

2.49

-3.87

-1.38
10 HWPYMLER

2.6

-3.82

-1.22
11 RWPYMMER

2.76

-3.77

-1.01
12 RWPFMMER

4.83

-5.78

-0.95
13 FWPYMMER

3.05

-3.95

-0.9
14 RWPYMMDR

2.73

-3.55

-0.82
15 RWPPMLEE

2.54

-3.03

-0.49
16 HWPPMMER

3.21

-3.63

-0.42
17 FWPPMMER

2.58

-2.96

-0.38
18 FWPPMMDR

2.6

-2.78

-0.18
19 FWPPMLDR

2.65

-2.8

-0.15
20 FWPPMLER

2.78

-2.8

-0.02
21 FWPYMMDR

3.18

-3.2

-0.02
22 RWPPMLDR

2.26

-2.08

0.18
23 FWPPMHER

2.16

-1.97

0.19
24 HWPPMLEE

2.5

-2.3

0.2
25 HWPYMMER

3.24

-3.02

0.22
26 RWPPMMEE

2.25

-1.93

0.32
27 HWPPMHER

2.44

-1.63

0.81
28 FWPPMMEE

2.46

-1.39

1.07
29 FWPPMLEE

2.52

-0.93

1.59
30 HWPPMMEE

2.5

0.96

3.46

 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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