Figure 5.

Glutathione interaction partners. Normalized contact frequencies between GSH heavy atoms and heavy atoms of all BAK1 residues with a cutoff distance of 4 Å. More explicitly, $f\left[{\text{min}}_{\mathbf{x}\in G,\mathbf{y}\in R}\mathrm{d}\left(\mathbf{x,y}\right)\mathrm{<}4\text{Å}\right]$, where f denotes the normalized frequency over all trajectory frames, d($\mathbf{x},\mathbf{y}$) is the Euclidean distance between the two atoms with positions $\mathbf{x}$ and $\mathbf{y}$, G is the set of all heavy glutathione atoms, and R is the set of all heavy atoms in a given BAK1 residue. In each simulation set, the cysteine forming a disulfide bond with GSH has a contact frequency of 1.0 and is marked with a dotted vertical line. Secondary structure from the crystal structure is shown just below the frequencies (30, 67). To see this figure in color, go online.