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Calculated radial distribution function, goo(r), for the water oxygens and βCD oxygens. gOO(r) for βCD in bulk water (solid line) are compared with result for βCD in WT (dashed line), M113V βCD–αHL (line with squares), M113N βCD–αHL (line with circles), and M113A βCD–αHL (solid line with triangles) complexes.
