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. Author manuscript; available in PMC: 2013 Mar 30.
Published in final edited form as: J Comput Chem. 2012 Feb 1;33(8):906–910. doi: 10.1002/jcc.22927

Figure 2.

Figure 2

The 10 strongest pathways calculated for ruthenated wild-type azurin (PDB code 1BEX) [10] using standard Pathways parameters (εC = 0.6, βS = 1.7 Å−1). Blue and magenta spheres indicate copper and ruthenium ions, respectively. Solid cylinders indicate pathway steps mediated by covalent bonds, and dashed cylinders indicate pathway steps mediated by hydrogen bonds or through-space jumps. Cylinder diameters indicate the pathway strengths.