Fig. 5

a, χ angle evolution during the simulation. b, distances between O⁶[oxoG⁰] and main chain amide nitrogen atoms of Ile119, Arg220, Thr221, and Tyr222. Moving average of 50 consecutive snapshots is plotted vs time. The colors of the traces are the same as in Fig. 3. c, loop Thr220–Tyr224 of Bst-Fpg forms an extensive set of contacts with O⁶ of oxoG in high syn orientation (χ = 101°, 1R2Y). d, a homologous loop Ser218–Tyr222 of Lla-Fpg forms the same set of contacts with O⁶ when oxoG is flipped around the glycosidic bond (χ = –103°, PRO-GLH-C model, 9 ns)