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Figure 8
Diffraction data from 146 ChTg crystals. Each data set is shown as a dot according to its unit cell values (x and y coordinates) and according to its grouping after to two-factor clustering (five colors). The data readily partition into two main groups using conventional one-factor clustering (two main populations at left and right), and further subdivide into five sub-groups using two-factor clustering. FTMap was used to compare the predicted binding properties of the different structural polymorphs, which differed markedly between the two main cluster groups (the inset shows binding poses superposed on the protein envelopes of 7ktz and 7ku2).

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