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. 2022 Mar 17;12:4645. doi: 10.1038/s41598-022-08506-4

Table 5.

The interactions involved docking the epitope HLGYKCSIRK with its corresponding MHC allele(HLA-A*03:01).

Type of Interaction Amino Acid (Position) Bond Length (Angstrom)
Conventional Hydrogen Bonds ASP77 2.15 Å
ASP77 1.69  Å
TRP147 1.89  Å
LYS146 1.65  Å
GLU152 2.61  Å
GLU152 2.32  Å
ARG114 2.00  Å
ARG114 1.76 Å
GLN70 1.84 Å
GLN155 1.68 Å
GLN155 1.71 Å
THR163 3.01 Å
GLU63 2.04 Å
Hydrophobic Interactions TYR84 5.29 Å 3.76 Å 4.74 Å
LYS146 3.76  Å
ALA69 4.74  Å
PHE9 5.23  Å
TYR99 5.46 Å
TYR7 5.36 Å
LEU 4.96 Å
Salt Bridge, attractive charge interactions GLU152 ASP77 1.89 Å 2.87 Å
GLU152 5.04 Å
GLU152 2.74 Å
Donor-Donor Clash THR143 1.30 Å
TYR99 2.50 Å
Cation-Pi Interaction LYS146 4.32 Å
TRP147 4.36 Å
Carbon Hydrogen Bond LEU156 3.53 Å
Pi Donor Hydrogen Bond TYR84 2.34 Å