. Author manuscript; available in PMC: 2014 Nov 15.

Published in final edited form as: J Immunol. 2013 Oct 9;191(10):10.4049/jimmunol.1301958. doi: 10.4049/jimmunol.1301958

Table 2. Human F7 MAIT TCR contacts with hMR1-r-RL.

α chain	MR1	Contact	β chain	MR1	Contact
CDR1			CDR2
Gly28	Glu160	VDW	Tyr48	Arg61	VDW
Phe29	Glu160	VDW	Tyr48	Gln64	VDW
Phe29O	Asn155Nδ2	H-bond	Ala50	Gln64	VDW
Phe29N	Glu160Oε1	H-bond	Thr54	Gln64	VDW
Phe29O	Glu160Oε1	H-bond* (3.47)	Thr54	Arg67	VDW
Asn30	Tyr152	VDW	Thr54^Oγ	Gln64^Nε2	H-bond
Asn30	Asn155	VDW	Thr54^Oγ	Arg67^Nη1	H-bond
Asn30	Trp156	VDW	Thr55	Gln64	VDW
Asn30	Glu160	VDW	Asp56	Gln64	VDW
Asn30^Nδ2	Asn155^Nδ2	H-bond* (3.55)	CDR3
CDR2			Trp96	Met72	VDW
Tyr48	His148	VDW	Thr97	Trp69	VDW
Tyr48	Tyr152	VDW	Thr97O	Trp69^Nε1	H-bond* (3.65)
Val50	Leu151	VDW	Gly98	Trp69	VDW
Val50	Tyr152	VDW	Gly98O	Trp69^Nε1	H-bond
Val50	Asn155	VDW	Glu99	Glu149	VDW
Leu51	Leu151	VDW	Gly100	Tyr152	VDW
Leu51	Lys154	VDW	Ser101^Oγ	Glu149^Oε1	H-bond
Leu51	Asn155	VDW	Ser101N	Glu149Oε1	H-bond* (3.56)
Glu55^Oε2	His148Nε2	H-bond	Ser101	Glu149	VDW
Glu55	His148	VDW
Arg66	Asn155	VDW	β chain	r-RL	Contact
Arg66Nη1	Glu160Oε2	S-Bridge	Gly98	OAD,CAJ,	VDW
CDR3			Glu99	OAD	VDW
Ser93	Glu160	VDW	Glu99N	OAD	H-bond
Ser93^Oγ	Glu160Oε2	H-bond
Ser93	Trp164	VDW	MP1	r-RL	Contact
Asn94^Nδ2	Arg61Nε	HB(	Tyr7	C4A,C4,O4,N3,N5	VDW
Asn94	Arg61	VDW	Phe8	OAC	VDW
Asn94	Tyr62	VDW	Arg9	CAI,C7,CAJ	VDW
Asn94^Oδ1	Tyr62^OH	H-bond	Ser24	OAC,CAI	VDW
Tyr95	Leu65	VDW	Ser24^Oγ	OAC	H-bond
Tyr95	Tyr152	VDW	Lys43	O4,C4	VDW
Tyr95	Trp156	VDW	Lys43 Nζ	N3	H-bond* (3.50)
Tyr95^OH	Tyr152OH	H-bond	Lys43 Nζ	O4	H-bond
Tyr95^OH	Trp156Nε1	H-bond* (3.73)	Tyr62	O2,N3	VDW
			Trp69	CAJ,C8A,C4A,N5	VDW
α chain	r-RL	Contact	Arg94	CAV,C7,CAT	VDW
Tyr95	OAF,OAE,CAU	VDW	Arg94	OAG	H-bond* (3.35)
Tyr95OH	OAF	H-bond	Ile96	OAG	VDW
Tyr95OH	OAE	H-bond* (3.60)	Tyr152	OAE,OAF	VDW
			Tyr152	OAE	H-bond
			Gln153	OAG	VDW
			Trp156	OAF,N1,CAK	VDW