TABLE 7.

The probability of finding the Cl⁻ ions in a detained state, in which an ion is located within 5 Å of the terminal group hydrogens of the N-terminus, arginine, or lysine, calculated over the simulation MD_S

Residue	Probability	Binding energy (kcal/mol)
Arg-80	0.12	−0.08
Arg-87	0.14	−0.18
Lys-92	0.01	1.48

Only residues associated with the protein during >5% of the simulation time, or discussed in the text, are included in the table. A table that details the interactions with all residues is given in the Supplementary Material.