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. Author manuscript; available in PMC: 2023 Aug 7.
Published in final edited form as: J Phys Chem B. 2019 Apr 4;123(15):3267–3271. doi: 10.1021/acs.jpcb.9b01694

Table 1:

Calculated Hydrogen bonding for GLU 35

Acceptor Donor State 1 % present State 2 % present
Ala31 Glu35 76.4% 50.0%
Glu35 Gln57 4.4% 21.46%
Glu35 Arg114 -- 100.0%
Phe34 Glu35 -- 32.3%
Lys33 Glu35 -- 3.5%
Ala32 Glu35 -- 0.5%
Leu56 Glu35 2.62% 0.5%