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. Author manuscript; available in PMC: 2014 Apr 23.
Published in final edited form as: Biochemistry. 2013 Apr 12;52(16):2828–2838. doi: 10.1021/bi400163k

Figure 4.

Figure 4

Hydrogen bond occupancies along the 30ps QM/MM-MD simulation for each key state in the methyl transfer step. Hydrogen bond criteria: heavy atom to heavy atom distance less than 3.4Å and heavy atom – H – heavy atom angle of 180° ± 45°.