Table.4.

Different types of interaction between TLR9 and CpG ODN_2395.

TLR9-CpG
Hydrogen bond	CpG ODN_2395	Atom	TLR9	Atom
	T1	N3	HIS203	NE2
	G3	N1	LYS207	NZ
		N2		NZ
		N2	SER205	OG
	T4	OP1	SER131	OG
		O3	TYR132	OH
	C5	O5	TYR179	OH
	G6	OP1	TYR180	OH
		OP1	ASN263	OD1
		O5		ND2
	C20	O2	TYR665	OH
		O4	ARG613	NH2
Salt bridge	CpG ODN_2395	Charge center	TLR9	Charge center
	G3	Purine ring	ASP175	carboxylic
	T4	P-backbone	LYS95	amine
	C5	P-backbone	HIS152	imidazole
	T9	P-backbone	ARG482	amine
	G13	P-backbone	HIS735	imidazole
	C21	P-backbone	ARG613	amine
	G22	P-backbone	HIS642	Imidazole
H-BOND DONOR		H-BOND ACCEPTOR