Fig. 1.

Convergence of the population of conformational states sampled by the three central residues shown for GGAGG in 8 M urea at 298 K. (a) Quadrants of Ramachandran space used to define the 64 conformational states: a (Qα_R, right-handed α-helical): –φ, –ψ; b (Qβ, β): –φ, +ψ; p (Qα_L, left-handed α-helical): +φ, +ψ; o (Q_o, other): +φ, –ψ. (b) Comparison of the sampling of the 64 conformational states of run #1 of GGAGG across different portions of the trajectory. (c) Comparison of the sampling of the 64 conformational states of all three simulations of GGAGG.