Fig. 6. Computational relationship between bulkiness of Drp1 at Cys644 and structural conformation.
A The comparison of Rg of Cα-H3, Cα-H6, and Cα-H7 of Drp1 was analyzed from 0 to 500 ns-trajectories and structural stability was analyzed from 100 to 500 ns-trajectories. CysSH: depolysulfidated Cys644, CysSSH: polysulfidated Cys644, CW: Cys644Trp polysulfidation mimic form, GSH: S-glutathionylated Cys644. B Hydrogen bonding interaction was depicted in terms of %occupancy shown as a grid plot ranging from 20 (white) to 60 (blue). Only %H-bond occupancy with ≥ 20 are labeled.
