TABLE 4.

Pairwise energy (kcal/mol) for human and mouse MEIG1–PACRG complexes.

Model No.	Organism	Mutation	$\mathrm{\Delta }\langle E_{\mathrm{VDW}}\rangle$	$\mathrm{\Delta }\langle E_{\mathrm{Coul}}\rangle$
1, 3	Human	W50A	−6.96	−25.32
2, 4	Human	W50A	−6.50	−50.72
1, 5	Human	Y68A	−10.46	−31.30
2, 6	Human	Y68A	−10.08	−31.47
15, 17	Mouse	W50A	−8.32	−67.30
16, 18	Mouse	W50A	−7.16	−41.54
15, 19	Mouse	Y68A	−10.88	−46.34
16, 20	Mouse	Y68A	−10.45	−30.20

Note: $\mathrm{\Delta }\langle E_{\mathrm{VDW}}\rangle$ and $\mathrm{\Delta }\langle E_{\mathrm{Coul}}\rangle$ are the van der Waals and electrostatic energies, respectively. Models labeled W50A gives the change in pairwise energy between wild type and mutant calculated using residues W50, K57, Y69, K71, and H137. Models labeled Y68A gives the change in pairwise energy between wild type and mutant calculated using residues Y68, K58, F66, W96, I100, and E101 for human and W80, I84, E85, and H121 for mouse.

Abbreviations: MEIG1, meiosis-expressed gene 1; PACRG, Parkin co-regulated gene.