American Association of Immunologists

Table I.

The RMS deviations^a

	Bound			Unbound
		Backbone	Heavy atoms	Backbone	Heavy atoms
Secondary structure^b	0.79	1.26	0.56	1.00
α1–α2 domain	1.12	1.54	0.76	1.33
Peptide	1.15	2.21^c	0.83	2.73^c

	Bound			Unbound
		Backbone	Heavy atoms	Backbone	Heavy atoms
Secondary structure^b	0.79	1.26	0.56	1.00
α1–α2 domain	1.12	1.54	0.76	1.33
Peptide	1.15	2.21^c	0.83	2.73^c

The RMS deviations (Å) between the mean structures obtained from the TCR-Tax(P6)-MHC and TCR-Tax(A6)-MHC simulations and from the Tax(P6)-MHC and Tax(A6)-MHC simulations.

α-helices and β-sheets of the α1–α2 domain.

For the sixth residues, the Ala and Pro backbones and their C_β atoms are included in calculations.

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