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. Author manuscript; available in PMC: 2013 Jan 18.
Published in final edited form as: J Am Chem Soc. 2011 Dec 29;134(2):999–1009. doi: 10.1021/ja207173p

Table 3(b).

Influence of the atomic charges of residues in the 423-433 loop (including Lys422) on the Esq/hq value for XDH/XO in mV. For further information (side chain/backbone contributions), see Table S4 in Supporting Information.

Esq/hq(XDH) Esq/hq(XO) Difference a
Lys422 261 155 106
Gln423 −2 −5 3
Ala424 4 −1 5
Ser425 5 1 4
Arg426 88 125 −37
Arg427 21 23 −2
Glu428 −39 −26 −13
Asp429 −137 −66 −71
Asp430 −108 −46 −62
Ile431 9 −6 15
Ala432 10 −2 12
Lys433 40 152 −112
total 152 304 −152
a

Esq/hq(XDH) − Esq/hq(XO). A negative value here indicates an increased difference between Esq/hq in the two enzymes, while a positive value indicates a decreased difference.