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. Author manuscript; available in PMC: 2010 Oct 1.
Published in final edited form as: Proteins. 2009 Oct;77(1):97–110. doi: 10.1002/prot.22421

Figure 2. Energies of repacked X-ray vs. NMR structures.

Figure 2

CHARMM (a) or Rosetta (b) were used to re-pack all clusters for all templates. Templates were prepared using the C-RELAX procedure. Repacking results using RosettaDesign with R-RELAX relaxed structures are depicted in panel (c). Repacking energies on NMR templates are plotted as a function of the repacking energy on the X-ray template, for each pair. Unreasonably high-energy outliers (highest 5 % of all energies) are not plotted for the sake of clarity.