TABLE 2.

Hydrogen bond occupancy of W50–Y69 and Y68–E101 (human)/Y68–E85 (mouse) in the human and mouse MEIG1–PACRG complex.

Model No.	Organism	Mutation	W50–Y69 hydrogen bond occupancy (%)	Y68–E101/E85 hydrogen bond occupancy (%)
1	Human	Wild type	57.10	79.43
2	Human	Wild type	56.72	97.84
3	Human	W50A	0	69.96
4	Human	W50A	0	92.92
5	Human	Y68A	58.38	0
6	Human	Y68A	57.24	0
15	Mouse	Wild type	52.45	78.77
16	Mouse	Wild type	51.31	90.22
17	Mouse	W50A	0	93.69
18	Mouse	W50A	0	95.04
19	Mouse	Y68A	59.74	0
20	Mouse	Y68A	59.91	0

Note: Data is given as the percentage of frames in GaMD trajectories that have hydrogen bonds.

Abbreviations: GaMD, Gaussian-accelerated molecular dynamics; MEIG1, meiosis-expressed gene 1; PACRG, Parkin co-regulated gene.