. 2022 Feb 28;13:820881. doi: 10.3389/fimmu.2022.820881

Table 2.

The interactions between the peptide and the PBG of pSLA-1*13:01_RW12.

Complex	Hydrogen bonds and salt bridges				van der Waals contactresidues
	Peptide		Heavy Chain
	Residue	Atom	Residue	Atom
*pSLA-113:01_RW12**	P-1-Arg	NH1	Glu⁵⁵	OE2	Glu⁵⁵, Tyr⁵⁹, Glu⁶², Glu⁶³, Leu¹⁶³, Glu¹⁶⁶, Ser¹⁶⁷, Arg¹⁷⁰, Tyr¹⁷¹
		N	Glu⁶²	OE2
			Glu⁶³	OE1
		O	Ser¹⁶⁷	OG
	P1-Val	N	Glu⁶³	OE2	Leu⁵, Tyr⁷, Phe³³, Tyr⁵⁹, Glu⁶³, Tyr¹⁵⁹, Leu¹⁶³, Ser¹⁶⁷, Tyr¹⁷¹
	P1-Val	O	Tyr¹⁵⁹	OH
	P2-Glu	OE1	Tyr⁷	OH	Tyr⁷, Tyr⁹, Met⁴⁵, Glu⁶³, Lys⁶⁶, Val⁶⁷, Asn⁷⁰, Phe⁹⁹, Tyr¹⁵⁹
		OE2	Tyr⁹	OH
		N	Glu⁶³	OE2
		O	Lys⁶⁶	NZ
	P3-Asp	OD2	Arg¹⁵⁶	NE	Asn⁷⁰, Phe⁹⁹, Arg¹¹⁴, Arg¹⁵⁶, Tyr¹⁵⁹
	P4-Val				Arg⁶⁵, Lys⁶⁶
	P5-Thr	OG1	Asp⁶⁹	OD1	Asp⁶⁹, Asn⁷⁰, Arg¹⁵⁵, Arg¹⁵⁶
	P5-Thr		Asn⁷⁰	OD2	Asp⁶⁹, Asn⁷⁰, Arg¹⁵⁵, Arg¹⁵⁶
	P6-Asn				Arg⁶⁵, Asp⁶⁹
	P7-Thr	OG1	Arg¹⁵⁵	NH1	Arg¹⁵⁵, Arg¹⁵⁶
	P8-Ala				Arg¹⁵⁶
	P9-Glu				Thr⁷³, Val⁷⁶, Gly⁷⁷, Thr⁸⁰
	P10-Tyr				Thr¹⁴³, Lys¹⁴⁶, Trp¹⁴⁷, Ala¹⁵⁰, Val¹⁵²
	P11-Trp	O	Tyr⁸⁴	OH	Thr⁷³, Tyr⁷⁴, Gly⁷⁷, Thr⁸⁰, Lue⁸¹, Tyr⁸⁴, Leu⁹⁵, Ser⁹⁷, Arg¹¹⁴, Asp¹¹⁶, Thr¹⁴³, Lys¹⁴⁶, Trp¹⁴⁷
			Lys¹⁴⁶	NZ
		NE1	Asp¹¹⁶	OD2