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Table 6 Interactions of the engineered vaccine with TLR2 and TLR4. Analysis of interactions was performed by DIMPLOT program from LigPlot + v2.2.4

From: In silico designing of a novel epitope-based candidate vaccine against Streptococcus pneumoniae with introduction of a new domain of PepO as adjuvant

ODAC -TLR2

ODAC -TLR4

ODAC residues

TLR2 residues

H-bond distance

ODAC residues

TLR4 residues

H-bond distance

Name

No

Name

No

Name

No

Name

No

Met

1

Pro

320

2.88

Thr

2

Asp

95

2. 90

Trp

50

Arg

321

2.97

Arg

3

Leu

119

2.83

Thr

2

Arg

321

2.61

Asp

59

Asn

143

2.91

Trp

50

Tyr

323

281

Arg

70

Glu

169

2.78

Asp

6

Lys

347

2.64

Trp

16

Asn

173

2.86

Asp

6

Lys

347

2.54

Arg

70

Gln

200

2.77

Glu

40

Glu

374

3.08

Arg

70

Gln

200

2.62

Tyr

9

Gln

396

2.74

His

368

Gln

200

2.99

Asp

10

Gln

396

2.75

His

369

Glu

225

2.78

Asp

34

Lys

404

2.75

His

372

Arg

227

2.84

Gln

37

Lys

404

2.77

Asp

10

Lys

150

2.64

Asp

36

Ser

424

2.82

Glu

15

Lys

150

2.71

Asn

13

Arg

447

2.69

     

Asn

13

Arg

447

2.71

     

Glu

58

Arg

321

2.69

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