Figure 41.

Off-lattice simulation of the reconstruction of Rubredoxin native structure using holonomic constraints for the intrachain bonds. (Left panel) The evolution of the number of emerging native contacts as a function of time. For comparison, also the number of new contacts not present in the native structure (denoted as wrong ones) are displayed for illustration. (Right panel) Comparison between Rubredoxin native conformation with a reconstructed one. The colors are to facilitate the location of the sites in space (adapted from [370]).