Fig. 5.
Transition state ensemble structures. (A) Distribution P(ΔR), of the ΔR = (ΔU - ΔTSE)/(ΔU - ΔN), which is the fraction of buried solvent accessible surface area relative to the unfoled structures. The average values of ΔN and ΔU are 5270 Å2 and 8189 Å2, respectively. The average 〈ΔR〉 = 0.68, which coincides with Tanford β parameter. (B) Contact map of the native state ensemble (Upper Left) and the one for the TSE structures (Lower Right). The scale on the right gives the probablity of contact formation. The number of native contacts in the folded state is 507. (C) Superposition of a few structures of the dominant TSE cluster (Left) shows formation of the core with disorder mostly in the RT loop (see text). The subdominant cluster has well-formed β1, β2, and β3 hydrophobic core.