Table 2. Inter-chain salt bridges in the dimerization interface of the BTB domain of PATZ1.

Residue numbers refer to the crystal structures.

BTB protein	PDB code	Inter-chain salt bridges	Frequency in MD (%)	Intra-monomer salt bridges
				Intra-interface	All protein
Mouse PATZ1	6guv	Glu75–Arg47 (crystal only)	0	Asp50–Arg64	Asp127–Arg42
		Asp50–Arg47 (B–A)†	64.84	Asp124–Arg137	Glu111–Arg54†
		Asp84–Arg47†	7.54 (BA)–32.77 (AB)	Asp84–Arg64†	Glu111–Arg110 (B–B)†
		Asp89–Arg47 (A–B)†	11.14	Asp94–Arg110†	Asp127–Lys43†
		Glu158–Arg29†	32.32 (AB)–76.82 (BA)	Glu72–Arg154†	Glu143–Lys120†
				Asp50–Arg110 (A–A)†	Asp57–Arg54†
				Asp89–Arg64 (A–A)†	Asp57–Lys120†
				Asp89–Arg110†	Asp124–Lys120†
				Asp89–Arg47 (B–B)†	Glu58–Arg110 (A–A)†
				Asp127–Arg133†	Glu58–Lys120†
				Glu33–Arg29†	Glu58–Lys43 (B–B)†
				Glu75–Arg64 (A–A)†	Glu139–Lys120†
				Glu139–Arg137†	Asp94–Arg64 (A–A)†
				Glu143–Arg137†
				Glu158–Arg154†
				Glu162–Lys165†
Zebrafish PATZ1	6guw	Glu64–Arg36	77.42 (BA)–85.7 (AB)	Asp92–Arg105	Asp95–Arg31
		Asp39–Lys53 (A–B)†	5.44	Asp33–Arg36†	Glu61–Arg122
		Asp74–Lys78†	5.89 (AB)	Asp39–Lys53†	Glu107–Lys88
		Glu22–Arg122 (A–B)†	12.84	Asp39–Lys78 (A–A)†	Asp33–Lys32†
		Glu72–Arg36 (A–B)†	93.06	Asp73–Lys53 (A–A)†	Asp92–Arg91†
		Glu126–Lys18†	19.08 (AB)–28.42 (BA)	Asp92–Lys101 (A–A)†	Asp92–Lys88†
				Asp95–Lys101†	Asp95–Arg91†
				Glu22–Lys18†	Asp95–Lys32†
				Glu22–Arg122 (A–A)†	Glu46–Arg43†
				Glu72–Lys53†	Glu46–Arg91 (A–A)†
				Glu107–Arg105†	Glu46–Lys88†
					Glu47–Arg91†
					Glu47–Lys88†
					Glu79–Arg43†
					Glu79–Lys78†
					Glu81–Arg43†
					Glu111–Lys88†
					Glu126–Arg122 (A–A)†

^†Added with MD simulation of the modelled structures.