. 2012 Oct 25;22(1):35–46. doi: 10.1002/pro.2181

Table I.

The TCR Docking Benchmark

Complex^a	TCR^a	TCR name	pMHC^a	pMHC name	Peptide sequence	RMSD^b	Difficulty^c
CD8+ TCR; Class I MHC
1AO7	3QH3	A6	1DUZ	Tax/HLA-A2	LLFGYPVYV	1.23	Rigid
1MI5	1KGC	LC13	1M05	EBV/HLA-B8	FLRGRAYGL	1.25	Medium
1MWA	1TCR	2C	1LEK	dEV8/H2-K^bm3	EQYKFYSV	1.14	Rigid
1OGA	2VLM	JM22	2VLL	flu/HLA-A2	GILGFVFTL	1.36	Medium
2BNR	2BNU	1G4	1S9W	NY-ESO9C/HLA-A2	SLLMWITQC	0.72	Rigid
2CKB	1TCR	2C	1LEG	dEV8/H2-K^b	EQYKFYSV	1.17	Rigid
2NX5	2NW2	ELS4	2NW3	EBV/HLA-B^*3501	EPLPQGQLTAY	1.14	Rigid
2OI9	1TCR	2C	3ERY	QL9/H2-L^d	QLSPFPFDL	1.10	Medium
2PYE	2PYF	1G4 c5c1	1S9W	NY-ESO9C/HLA-A2	SLLMWITQC	0.88	Rigid
3H9S	3QH3	A6	3H7B	Tel1p/HLA-A2	MLWGYLQYV	1.31	Medium
3KPR	1KGC	LC13	3KPQ	ABCD3/HLA-B^*4405	EEYLKAWTF	1.37	Medium
3KPS	1KGC	LC13	3KPP	ABCD3/HLA-B^*4405	EEYLQAFTY	1.31	Medium
3PWP	3QH3	A6	3PWL	HuD/HLA-A2	LGYGFVNYI	1.24	Rigid
3QDG	3QEU	DMF5	1JF1	MART1-ELA/HLA-A2	ELAGIGILTV	0.96	Medium
3QDJ	3QEU	DMF5	2GUO	MART1-AAG/HLA-A2	AAGIGILTV	0.94	Medium
3SJV	3SKN	RL42	1M05	EBV/HLA-B8	FLRGRAYGL	0.96	Rigid
3UTT	3UTP	1E6	3UTQ	Insulin/HLA-A2	ALWGPDPAAA	0.75	Rigid
CD4+ TCR; Class II MHC
2IAM	2IAL	E8	1KLG	TPImut/HLA-DR1	GELIGILNAAKVPAD	0.87	Rigid
2IAN	2IAL	E8	1KLU	TPI/HLA-DR1	GELIGTLNAAKVPAD	0.82	Rigid
2PXY	2Z35	1934.4	1K2D	MBP/H2-IA^u	RGGASQYRPSQ	1.18	Medium

PDB code.

Root mean square distance (in Å) between backbone atoms of the TCR/pMHC interface and the corresponding atoms in the unbound structures.

Docking difficulty, as defined by interface RMSD and contacting residues.²²