Fig. 5 | Nature Communications

Fig. 5

From: Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site

Fig. 5

Conformational FEL maps of β-d-Glc bound in the active site of HvExoI. Conformational FEL of β-d-Glc in the −1 (a) and +1 (b) subsites are based on ab initio QM/MM metadynamics. c Conformational FEL map of isolated Glc34 (reproduced with permissions of the Journal of American Chemical Society; all rights reserved; https://pubs.acs.org/doi/10.1021/jacs.5b01156). Energy level lines are separated by 1 kcal/mol

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