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. 2011 Sep 2;6(9):e23947. doi: 10.1371/journal.pone.0023947

Figure 1. Typical ensembles of structures produced by Rosetta relax runs for calmodulin.

Figure 1

Shown here are structures generated by Rosetta relax runs that allow protein structures to “relax” to a lower energy state. The starting structure – one domain of yeast calmodulin – is shown in green, and the generated structures are shown in gray, with runs starting from the native structure on the left and runs from a mutation (F89I) on the right. The mutated site is shown in red in the mutant structure. The wt ensemble shows less variation in both difference from the starting structure and difference within the ensemble than the mutation ensemble. The differences between wild-type and mutation ensembles are quantified by comparing distributions of Rosetta score terms.