. 1999 Sep 28;96(20):11446–11451. doi: 10.1073/pnas.96.20.11446

Table 1.

Predicted and observed heat-capacity changes for TCR–pMHC complexes

TCR–pMHC	Water-accessible surface area, Å²		Heat-capacity change, cal·mol⁻¹·K⁻¹
TCR–pMHC	−ΔA_np	−ΔA_p	ΔC°_{p calc}	ΔC°_{p obs}
A6–HLA-A2^*	1,153	837	−252	n/a
2C–K^b^†	1,066	819	−227	n/a
2B4–E^k^‡	1,226	762	−286	−663

Calculated ΔC_p° values were derived according to ΔC_p°= (0.32·ΔA_np) − (0.14·ΔA_p) (24), in which A_np and Ap are the respective changes in water-accessible nonpolar (np) and polar (p) surface area in Å².

*Brookhaven Protein Data Bank ID code 1A07.

^†

Coordinates kindly provided by K. C. Garcia and I. A. Wilson.

^‡

Model structure based on 2C–K^b template and published E^k coordinates (see Materials and Methods).