Table 4 Docking study of particular CTL and HTL epitopes with their associated, binding MHC alleles.

From: Development of a candidate mRNA vaccine based on Multi-Peptide targeting VP4 of rotavirus A: an immunoinformatics and molecular dynamics approach

Type of T Lymphocyte

Epitope

MHC Alleles

Docking score

Ligand RMSD (Å)

PDB ID

Binding affinity, ΔG (kcal mol−1)

CTL

KYGGRIWTF

HLA-A*24:02

−247.85

28.74

7K80

−8.2

CTL

SFDDISAAV

HLA-A*68:01

−175.55

169.05

6PBH

−8.4

HTL

STQFTDFVSLNSLRF

HLA-DRB1*04:01

−205.28

25.11

5NI9

−7.7

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