Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-17.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
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 4.278 ΔGbinding 2.656
TOTAL
 6.934
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.187
Van der Waals -4.564 Backbone clash 0.025
Electrostatics 0.173 Helix dipole 0.000
Solvation Polar 4.776 Water bridges 0.000
Solvation Hyd -6.367 Disulfide 0.000
VdW clashes 3.491 Electrost. Kon 0.219
Entropy sc 0.576 Part.cov.bonds 0.000
Entropy mc

5.439

 ΔGstability

15.303
       

Predicted ligand sequences for model [MYO5_1VA7-17.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_1VA7-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDIMWGRHY 0.0
2 RDVMWGRHY 0.05
3 RDLMWGRHY 0.05
4 RDIMWGRRY 0.1
5 RDIMWRRHY 0.12
6 RDVMWGRRY 0.15
7 RDIMRGRHY 0.16
8 RDLMWGRRY 0.16
9 RDVMWRRHY 0.17
10 RDLMWRRHY 0.17
11 RDVMRGRHY 0.21
12 RDLMRGRHY 0.21
13 RDIMWRRRY 0.22
14 RDIMRGRRY 0.26
15 RDLMWRRRY 0.27
16 RDVMWRRRY 0.27
17 RDIMRRRHY 0.28
18 RDIMWGRLY 0.31
19 RDVMRGRRY 0.31
20 RDLMRGRRY 0.31
21 RDLMRRRHY 0.33
22 RDVMRRRHY 0.33
23 RDIMWGRHF 0.34
24 RDVMWGRLY 0.36
25 RDLMWGRLY 0.36
26 RDIRWGRHY 0.38
27 RDIMRRRRY 0.38
28 RDVMWGRHF 0.4
29 RDLMWGRHF 0.4
30 RDIMWRRLY 0.42
31 RDVMRRRRY 0.43
32 RDLMRRRRY 0.43
33 RDVRWGRHY 0.44
34 RDLRWGRHY 0.44
35 RDIMWGRRF 0.45
36 RDIMWRRHF 0.46
37 RMIMWGRHY 0.46
38 RDIMRGRLY 0.46
39 RRIMWGRHY 0.47
40 RDVMWRRLY 0.48
41 RDLMWRRLY 0.48
42 RDIRWGRRY 0.49
43 RDVMWGRRF 0.5
44 RDIRWRRHY 0.5
45 RDIMRGRHF 0.5
46 RDLMWGRRF 0.5
47 RDVMWRRHF 0.51
48 RMLMWGRHY 0.51
49 RMVMWGRHY 0.51
50 RDVMRGRLY 0.52
51 RRLMWGRHY 0.52
52 RRVMWGRHY 0.52
53 RDLMRGRLY 0.52
54 RDLMWRRHF 0.52
55 RDIRRGRHY 0.54
56 RDVRWGRRY 0.54
57 RDLRWGRRY 0.54
58 RDVRWRRHY 0.55
59 RDVMRGRHF 0.55
60 RMIMWGRRY 0.56
61 RDLRWRRHY 0.56
62 RDIMWRRRF 0.56
63 RDLMRGRHF 0.56
64 RMIMWRRHY 0.57
65 RRIMWGRRY 0.57
66 RDIMRRRLY 0.58
67 RRIMWRRHY 0.58
68 RDVRRGRHY 0.59
69 RDIMRGRRF 0.6
70 RDLRRGRHY 0.6
71 RDIRWRRRY 0.6
72 RMIMRGRHY 0.61
73 RMVMWGRRY 0.61
74 RMLMWGRRY 0.61
75 RDLMWRRRF 0.62
76 RDVMWRRRF 0.62
77 RRLMWGRRY 0.62
78 RDIMRRRHF 0.62
79 RRVMWGRRY 0.62
80 RRIMRGRHY 0.62
81 RMVMWRRHY 0.63
82 RMLMWRRHY 0.63
83 RDLMRRRLY 0.64
84 RRLMWRRHY 0.64
85 RDVMRRRLY 0.64
86 RDIRRGRRY 0.64
87 RRVMWRRHY 0.64
88 RDIMWGRLF 0.65
89 RDVRWRRRY 0.66
90 RDIRRRRHY 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RDVMWGRHY

2.94

-11.09

-8.15
2 RDLMWGRRY

3.45

-11.46

-8.01
3 RDIMWGRRY

2.75

-10.71

-7.96
4 RDVMWGRRY

2.99

-10.7

-7.71
5 RDLMWGRLY

2.87

-10.56

-7.69
6 RDIMWGRHF

3.07

-10.25

-7.18
7 RDLMWGRHY

2.96

-10.12

-7.16
8 RDVMRGRHY

3.39

-10.48

-7.09
9 RDVMWRRHY

4.37

-11.38

-7.01
10 RDIMWRRHY

3.97

-10.87

-6.9
11 RDIMWGRLY

3.18

-10.04

-6.86
12 RDIMWRRRY

4.33

-11.18

-6.85
13 RDVMWGRLY

3.24

-10.08

-6.84
14 RDIMWGRHY

2.8

-9.59

-6.79
15 RDIMRGRRY

3.02

-9.73

-6.71
16 RDLMRGRHY

2.99

-9.7

-6.71
17 RDVMRGRRY

3.05

-9.55

-6.5
18 RDLMWGRHF

3.03

-9.48

-6.45
19 RDLMRGRRY

3.49

-9.68

-6.19
20 RDIRWGRHY

3.42

-9.59

-6.17
21 RDIMWRRLY

4.29

-10.16

-5.87
22 RDLMWRRRY

4.41

-10.26

-5.85
23 RDVMWGRHF

2.93

-8.68

-5.75
24 RDIMRGRHY

1.87

-7.61

-5.74
25 RDLMWRRHY

4.37

-9.91

-5.54
26 RDVMWRRRY

4.15

-9.58

-5.43
27 RDLMRRRHY

4.77

-10.05

-5.28
28 RDIMRRRRY

4.45

-9.31

-4.86
29 RDVMRRRHY

4.54

-9.14

-4.6
30 RDIMRRRHY

4.38

-8.69

-4.31

 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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