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. 2014 Jun 18;10(8):3503–3511. doi: 10.1021/ct500162b

Figure 3.

Figure 3

Evolution of structural properties in the class from Bayesian clustering: (A) Class 1 in ATI pathway; (B) class 13 in AI pathway. Four metrics are displayed: backbone RMSD, A-loop RMSD, DFG RMSD, and distance of the ion pair (Lys-Glu). The RMSD values are calculated with respect to the crystal structure of 2ITW (form A).