. 2021 Jun 5;297(1):100857. doi: 10.1016/j.jbc.2021.100857

Table 3.

Predicted fastest hopping pathway leading from the Mn ions to the surface

Mn location	Fastest pathway	Residence time [ms]	Rate [s⁻¹]
N-terminal	Mn_N–W132–Y133–W102–Y104	150	6.67
N-terminal	Mn_N–W132–W102–Y104	151	6.62
N-terminal	Mn_N–W132–Y228	153	6.54
N-terminal	Mn_N–W132–W102–Y104–Y107	154	6.49
N-terminal	Mn_N–W132–W102–Y228	155	6.45
N-terminal	Mn_N–W132–W102–Y104–Y228	165	6.06
C-terminal	Mn_C–Y284–Y283	43.4	23.0
C-terminal	Mn_C–Y284–Y283–Y104–Y244	59.9	16.7
C-terminal	Mn_C–Y284–Y305–Y312–W281–Y283	65.6	15.2
C-terminal	Mn_C–W274–W171–Y320	70.5	14.2

EHPath calculations were performed on WT OxDC.