Table 2. Mean RMSD Values (in Angstroms) of all MD Simulations for Each Toxin for the Selected Regions, or the Whole Protein^a.

toxins	Atr-I	Leuc-a
region/position	RMSD (Å)	RMSD (Å)
total	0.90 ± 0.14	0.90 ± 0.13
100–108	0.64 ± 0.23	0.55 ± 0.16
148–179 (Ω-loop)	0.89 ± 0.20	0.76 ± 0.17
156–164	0.87 ± 0.28	0.60 ± 0.16
154–162	1.01 ± 0.30	0.69 ± 0.20
zinc environment	0.35 ± 0.12	0.37 ± 0.11

^aThe zinc environment is defined by the amino acid residues His₁₄₂, Glu₁₄₃, His₁₄₆, His₁₅₂, the zinc ion, and the inhibitor molecule.