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Representative conformations of Bc-Csp during the unfolding simulations at (A) 500 K and (B) 600 K. The first step of the unfolding pathway was the buckling of strand β5. This was followed by the melting of the two strands in the C-terminal β-sheet. Subsequently β3 melted and finally the β-hairpin formed by β1 and β2 was disrupted. The time of each representative conformation and its Cα RMSD from the x-ray structure are indicated. The β1-β2 turn and ion pairing residues are labeled.
