Topological Quantities Determining the Folding/Unfolding Rate of Two-state Folding Proteins


We investigate various topological and energy parameters from the protein native structure and find combinations of some parameters that are well correlated with the rate of folding/unfolding. For folding, the topological quantity that combines the clustering coefficient and the long-range order (or total contact distance/contact order) has a high correlation with the folding rate, expressed as ln k F , obtained from standard experimental conditions. For unfolding, a combination of the impact of edge removal, obtained from the protein structure, and the stability of the native protein structure, as expressed by the free energy change ΔG, gives a good correlation with unfolding rate, ln k U .

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Correspondence to Jaewoon Jung.

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Jung, J., Buglass, A.J. & Lee, EK. Topological Quantities Determining the Folding/Unfolding Rate of Two-state Folding Proteins. J Solution Chem 39, 943–958 (2010).

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  • Protein folding
  • Contact order
  • Long-range order
  • Total contact distance
  • Clustering coefficient
  • Impact of edge removal