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Decoding Structural Properties of a Partially Unfolded Protein Substrate: En Route to Chaperone Binding

Fig 4

Conformational heterogeneity.

A) Representative snapshots showing disruption of TIM barrel topology with α and β-region shown in blue and red color, respectively. B) Time evolution of distance between α and β-core for all three 400 K simulation shown in three shades of orange. For comparison, native 300 K is also shown in black. C) Time occurrence of representative β-core residues. The brown color represents the existence of beta-sheet secondary structure based on the dihedral angles.

Fig 4