Figure 2.

Conformational properties of p53-NTD using unscaled (MD) and scaled Hamiltonians (as in REST2 and REST3 or ${\mathit{\kappa }}_{\mathit{\text{m}}}$ = 1.06; see Table S2), including (A) radius of gyration, (B) end-to-end distance, and (C) residue helicity profile. The distributions at 500 K with the unscaled Hamiltonian were calculated from the last 400 ns of two independent 500ns runs and the error bars show the difference between these two runs. Results for REST2 and REST3 at 500 K were calculated from the last 1.8 μs of the ensembles and the error bars were estimated as the difference between the first and second 0.9 μs of these ensembles.