Figure 6.

Structural properties of the transition state as a function of temperature. The native (crystal structure: 1YPC; Harpaz et al. 1994) values are indicated by • at 298 K, the urea values by ▴ at 333 K, and in pure water at different temperatures values by — at the appropriate temperature. Error bars are based on the standard deviations in multiple ensembles chosen at random from a set of 100 simulations at 498 K (see Materials and Methods). (A) Native contacts: The line is a linear fit with a slope of 8.3 contacts/100 K and a correlation coefficient of 0.91. (B) Radius of gyration: The line is a linear fit with a slope of -0.22 Å/100 K and a correlation coefficient of 0.93. (C) β-strand content: The line is a linear fit with a slope of 2.1%/100 K and a correlation coefficient of 0.86.