Novel Concepts for Drug Hypersensitivity Based on the Use of Long-Time Scale Molecular Dynamic Simulation

Table 1

Self-peptides used for this study.

Peptides	Protein name; (human)
LSSPVTKSF (LF9); (PDB ID: 3VH8)	Ig kappa chain C region
IAVKVNHSY (IY9)	E3 SUMO-protein ligase P1AS4
VAKVCQYTF (VF9)	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11
VTYKNVPNW (VW9)	GTF-binding nuclear protein Ran

Protein name represents the proteins bound to HLA before processing into the self-peptides [8]. LF9 is the peptide derived from the crystal structure and obtained from the Protein Data Bank (PDB) [14].