. 2016 Nov 30;292(3):802–813. doi: 10.1074/jbc.M116.741603

TABLE 3.

ILA1-A2-ILA contacts

A 3.4 Å cutoff was used for H-bonds and salt bridges, and a 4 Å cutoff was used for van der Waals (vdW). FW, framework region.

CDR loop	Gene usage	TCR residue	Peptide residue	MHC residue	vdW (≤4 Å)	H-bonds (≤3.4 Å)
CDR1α	TRAV22	Asp-27^Oδ2		Thr-163^Oγ1	4	1
	TRAV22	Asp-27^Oδ1		Glu-166^Oϵ2	2	1
	TRAV22	Ser-28		Ala-158	1
	TRAV22	Val-29		Gln-155	4
	TRAV22	Val-29	Lys-4		4
	TRAV22	Asn-30		Gln-155	1
CDR2α	TRAV22	Tyr-48		Glu-154	1
	TRAV22	Tyr-48		Gln-155	2
	TRAV22	Ser-51^O		Glu-154^Oδ	1	1
	TRAV22	Ser-51		Arg-157	1
	TRAV22	Gln-55^Oϵ1		Glu-154^Oϵ2		1
FWα	TRAV22	Arg-68^NH1/NH2		Glu-166^Oϵ1/Oϵ2	4	2 salt bridges
CDR3α	TRAJ40	Asp-91^Oδ1	Lys-4^Nζ		3	1 salt bridge
	TRAJ40	Ser-92^O	Lys-4^Nζ		2	1
	TRAJ40	Ala-93		Lys-66	1
	TRAJ40	Ala-93		Thr-163	2
	TRAJ40	Ala-93	Lys-4		2
	TRAJ40	Thr-94^O		Lys-66^Nζ	3	1
	TRAJ40	Thr-94		Trp-167	3
	TRAJ40	Ser-95	Lys-4		4
	TRAJ40	Gly-96		Arg-65	3
	TRAJ40	Thr-97^O	Lys-4^Nζ		3	1
	TRAJ40	Tyr-98		Lys-66	3
	TRAJ40	Tyr-98		Ala-69	2
	TRAJ40	Tyr-98	Lys-4		2
	TRAJ40	Tyr-98	Leu-6		4
CDR1β	TRBV6	Glu-30	Trp-8		13
CDR2β	TRBV6	Val-50		Val-152	1
	TRBV6	Val-50	Leu-6		1
	TRBV6	Val-50	Trp-8		1
	TRBV6	Ile-54		Gln-72	4
CDR3β	TRBJ1-1	Tyr-95		Lys-146	5
	TRBJ1-1	Tyr-95		Ala-150	2
	TRBJ1-1	Gln-96		Lys-146	2
	TRBJ1-1	Gln-96^Oϵ1		Trp-147^Nϵ1	4	1
	TRBJ1-1	Gln-96		Ala-150	1
	TRBJ1-1	Gln-96		Val-152	1
	TRBJ1-1	Gln-96	Leu-6		2
	TRBJ1-1	Gln-96	His-7		3
	TRBJ1-1	Gln-96^Oϵ1	Trp-8^N/O		5	2