TABLE 1.

Molecular models.

Model No.	PDB ID	Organism	Protein	Mutation
1	6NDU	Human	MEIG1–PACRG	Wild type
2	6UCC	Human	MEIG1–PACRG	Wild type
3	6NDU	Human	MEIG1–PACRG	W50A
4	6UCC	Human	MEIG1–PACRG	W50A
5	6NDU	Human	MEIG1–PACRG	Y68A
6	6UCC	Human	MEIG1–PACRG	Y68A
7	6NDU	Human	MEIG1	Wild type
8	6UCC	Human	MEIG1	Wild type
9	6NDU	Human	MEIG1	W50A
10	6UCC	Human	MEIG1	W50A
11	6NDU	Human	MEIG1	Y68A
12	6UCC	Human	MEIG1	Y68A
13	6NDU	Human	PACRG	Wild type
14	6UCC	Human	PACRG	Wild type
15	2N2Y-1 and I-TASSER	Mouse	MEIG1–PACRG	Wild type
16	2N2Y-11 and I-TASSER	Mouse	MEIG1–PACRG	Wild type
17	2N2Y-1 and I-TASSER	Mouse	MEIG1–PACRG	W50A
18	2N2Y-11 and I-TASSER	Mouse	MEIG1–PACRG	W50A
19	2N2Y-1 and I-TASSER	Mouse	MEIG1–PACRG	Y68A
20	2N2Y-11 and I-TASSER	Mouse	MEIG1–PACRG	Y68A
21	2N2Y-1	Mouse	MEIG1	Wild type
22	2N2Y-11	Mouse	MEIG1	Wild type
23	2N2Y-1	Mouse	MEIG1	W50A
24	2N2Y-11	Mouse	MEIG1	W50A
25	2N2Y-1	Mouse	MEIG1	Y68A
26	2N2Y-11	Mouse	MEIG1	Y68A
27	I-TASSER	Mouse	PACRG	Wild type

Note: The models extracted from PDB are underlined. The mouse model 2N2Y⁷ was obtained from solution NMR, which contains 20 conformations. The two conformations (Nos. 1 and 11) were chosen for GaMD simulations. Models 15, 17, 19, 21, 23, and 25 were from the first NMR conformation; models 16, 18, 20, 22, 24, and 26 were from the 11^th NMR conformation. The mouse PACRG model was predicted using the I-TASSER server.³³

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