Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-15.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
 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 3.907 ΔGbinding 6.036
TOTAL
 9.943
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.732
Van der Waals -3.740 Backbone clash 0.172
Electrostatics 0.225 Helix dipole 0.000
Solvation Polar 5.253 Water bridges -0.011
Solvation Hyd -4.818 Disulfide 0.000
VdW clashes 6.024 Electrost. Kon 0.286
Entropy sc 0.778 Part.cov.bonds 0.000
Entropy mc

3.856

 ΔGstability

18.988
       

Predicted ligand sequences for model [MYO5_1ZUY-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGWIIWLIR 0.0
2 RGFIIWLIR 0.0
3 RGWIIWKIR 0.03
4 RGFIIWKIR 0.03
5 RDFIIWLIR 0.04
6 RDWIIWLIR 0.05
7 RGFIIWLTR 0.05
8 RGWIIWLTR 0.06
9 RGWIIWRIR 0.07
10 RGFIIWRIR 0.07
11 RDFIIWKIR 0.07
12 RDWIIWKIR 0.07
13 RGYIIWLIR 0.08
14 RGFIIWKTR 0.08
15 RGWIIWKTR 0.08
16 RDFIIWLTR 0.1
17 RGYIIWKIR 0.1
18 RDWIIWLTR 0.1
19 RDFIIWRIR 0.11
20 RGWIIWRTR 0.12
21 RDFIIWKTR 0.12
22 RDYIIWLIR 0.12
23 RGFIIWRTR 0.12
24 RDWIIWRIR 0.12
25 HGFIIWLIR 0.12
26 HGWIIWLIR 0.12
27 RDWIIWKTR 0.12
28 RGYIIWLTR 0.13
29 HGFIIWKIR 0.14
30 RGYIIWRIR 0.15
31 RGFIIKLIR 0.15
32 RDYIIWKIR 0.15
33 RGWIIKLIR 0.15
34 HGWIIWKIR 0.15
35 RGFIIFLIR 0.15
36 RDFIIWRTR 0.16
37 RGWIIFLIR 0.16
38 RGYIIWKTR 0.16
39 HDFIIWLIR 0.16
40 HDWIIWLIR 0.17
41 RDWIIWRTR 0.17
42 HGWIIWLTR 0.17
43 RGWIIKKIR 0.17
44 HGFIIWLTR 0.17
45 RGFIIKKIR 0.17
46 RDYIIWLTR 0.17
47 MGFIIWLIR 0.18
48 RGFIIFKIR 0.18
49 RGWIIFKIR 0.18
50 RGWIIWLSR 0.18
51 MGWIIWLIR 0.18
52 RGFIIWLSR 0.18
53 HGFIIWRIR 0.18
54 HDFIIWKIR 0.19
55 HGWIIWRIR 0.19
56 RDWIIKLIR 0.19
57 HDWIIWKIR 0.19
58 HGFIIWKTR 0.19
59 RDYIIWRIR 0.19
60 RDFIIKLIR 0.19
61 RGWIIKLTR 0.2
62 RGYIIWRTR 0.2
63 MGFIIWKIR 0.2
64 RDFIIFLIR 0.2
65 RGFIIKLTR 0.2
66 HGYIIWLIR 0.2
67 RDYIIWKTR 0.2
68 HGWIIWKTR 0.2
69 RDWIIFLIR 0.2
70 RGFIIFLTR 0.2
71 RGFIIWKSR 0.2
72 HDFIIWLTR 0.21
73 RGWIKWLIR 0.21
74 MGWIIWKIR 0.21
75 RGFIKWLIR 0.21
76 RGFIIKRIR 0.21
77 RGWIIWKSR 0.21
78 RGWIIFLTR 0.21
79 RDFIIKKIR 0.21
80 RGFIIKKTR 0.22
81 RDFIIFKIR 0.22
82 RGWIIKRIR 0.22
83 RDFIIWLSR 0.22
84 RGFIIFRIR 0.22
85 RGYIIKLIR 0.22
86 HGYIIWKIR 0.22
87 RGWIVWLIR 0.22
88 RGWIIFRIR 0.22
89 MDFIIWLIR 0.22
90 RDWIIKKIR 0.22
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGFIIWLTR

0.73

-6.33

-5.6
2 RGYIIWKIR

1.78

-6.43

-4.65
3 RGWIIWRTR

1.84

-6.39

-4.55
4 RGYIIWLIR

1.79

-6.28

-4.49
5 RGWIIWKTR

1.62

-5.97

-4.35
6 RGFIIWRTR

1.01

-5.15

-4.14
7 RGYIIWLTR

1.09

-5.04

-3.95
8 RGFIIWKIR

1.85

-5.78

-3.93
9 RGFIIWLIR

1.61

-5.54

-3.93
10 RGFIIWKTR

2.15

-5.64

-3.49
11 RGWIIWRIR

2.0

-5.23

-3.23
12 RDWIIWLTR

1.77

-4.56

-2.79
13 RDFIIWKTR

1.92

-4.7

-2.78
14 RGWIIWLTR

1.62

-4.39

-2.77
15 RGWIIWLIR

2.86

-5.59

-2.73
16 HGWIIWLIR

1.91

-4.61

-2.7
17 RDYIIWLIR

2.22

-4.91

-2.69
18 RDFIIWLTR

1.21

-3.85

-2.64
19 HGFIIWKIR

1.85

-4.27

-2.42
20 RGYIIWRIR

3.82

-6.22

-2.4
21 RDFIIWRIR

1.78

-4.15

-2.37
22 RGFIIWRIR

3.31

-5.67

-2.36
23 RGWIIWKIR

3.24

-5.48

-2.24
24 RDWIIWKTR

1.49

-3.28

-1.79
25 RDFIIWKIR

1.58

-3.19

-1.61
26 HGFIIWLIR

3.37

-4.91

-1.54
27 RDFIIWLIR

2.31

-3.62

-1.31
28 RDWIIWLIR

2.28

-3.41

-1.13
29 RDWIIWKIR

3.55

-4.26

-0.71
30 RDWIIWRIR

2.86

-2.95

-0.09

 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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