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. 2016 Apr 27;2016:9092328. doi: 10.1155/2016/9092328

Table 5.

RMSD between initial (PDB ID 3WGU) and model structures of Na,K-ATPase with SS bridges between pair of Cys residues (SS RMSD) and between Cys residue and glutathione (Cys-SSG RMSD) after local and global minimization.

Pairs of Cys residues SS RMSD,
Å local minimizationa 		Glutathionylated Cys Cys-SSG RMSD,
Å local minimizationa
204–242 0.12 204 0.09
367–698 0.14 698 0.08
452–456 0.12 452 0.05

aLocal minimization: minimization within a radius of 4.5 Å from the thiol groups of each cysteine residue in MMFF94x force field.