3HD5

crystal structure of a thiol:disulfide interchange protein dsba from bordetella parapertussis

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 82
  • Norm. En. per Res.: -3.7137
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-36.1631	-36.5192	-293.553	-366.2353	124	11	15	13031	2	22	22
A-C	-17.9725	-57.5231	-234.509	-310.0047	103	4	16	10684	4	17	22
B-C	-16.8112	-35.668	-252.046	-304.5252	82	7	17	10603	2	10	8

Interface residues

• A-B: ALA117A, ALA175A, ALA177A, ALA189A, ALA189B, ALA194A, ALA194B, ALA196A, ALA196B, ALA30A, ALA55B, ALA62A, ALA63A, ALA72A, ALA75A, ALA87B, ALA90B, ARG122A, ARG181A, ARG208B, ASN191A, ASN191B, ASN35A, ASN35B, ASN37B, ASN89B, ASP171B, ASP192A, ASP192B, ASP201B, ASP70A, ASP78A, CYS58A, CYS58B, CYS61A, GLN138A, GLN202B, GLN206B, GLN31A, GLN31B, GLN32A, GLN32B, GLN77A, GLU121A, GLU166B, GLU209B, GLU49A, GLU52A, GLU65A, GLU69A, GLY172B, GLY179A, GLY180A, GLY190A, GLY190B, GLY195A, GLY195B, GLY91B, HIS119A, HIS169B, HIS60A, HIS60B, ILE170B, ILE204B, ILE36A, ILE36B, ILE48A, ILE64A, ILE86B, LEU188A, LEU188B, LEU197B, LEU203B, LEU51A, LEU81A, LYS113A, LYS123A, LYS198A, LYS198B, LYS73A, PHE115A, PHE176A, PHE88B, PRO112A, PRO174A, PRO174B, PRO186A, PRO38B, PRO59A, PRO59B, PRO66A, PRO76A, SER137A, SER185A, SER185B, SER207B, THR116A, THR120A, THR173A, THR173B, THR184A, THR57B, THR74A, TRP134A, TRP71A, TYR182A, TYR182B, TYR193A, TYR193B, TYR33A, TYR33B, VAL178A, VAL187A, VAL187B, VAL199A, VAL199B, VAL200B, VAL205B, VAL34A, VAL34B, VAL50A, VAL68A, VAL79A, VAL80A
• A-C: ALA175C, ALA177C, ALA189A, ALA189C, ALA194A, ALA194C, ALA196A, ALA30A, ALA62C, ALA63C, ALA72C, ALA75C, ARG122C, ARG181C, ARG208A, ASN191A, ASN191C, ASN35A, ASN35C, ASP171A, ASP192A, ASP192C, ASP201A, ASP70C, ASP78C, CYS58C, CYS61C, GLN202A, GLN206A, GLN28A, GLN31A, GLN31C, GLN32A, GLN32C, GLN77C, GLU166A, GLU209A, GLU49C, GLU52C, GLU65C, GLU69C, GLY172A, GLY179C, GLY180C, GLY190A, GLY190C, GLY195A, GLY195C, GLY29A, GLY46C, HIS119C, HIS169A, HIS60A, HIS60C, ILE170A, ILE204A, ILE36C, ILE48C, ILE64C, LEU188A, LEU188C, LEU197A, LEU203A, LEU51C, LEU81C, LYS198A, LYS198C, LYS47C, LYS73C, PHE115C, PHE176C, PHE88A, PRO174C, PRO186A, PRO186C, PRO59A, PRO59C, PRO66C, PRO76C, SER185A, SER185C, SER207A, THR116C, THR120C, THR184C, THR57C, THR74C, TRP71C, TYR182C, TYR193A, TYR33C, VAL178C, VAL187A, VAL187C, VAL199A, VAL200A, VAL205A, VAL34A, VAL34C, VAL50C, VAL68C, VAL79C, VAL80C
• B-C: ALA175B, ALA177B, ALA189B, ALA189C, ALA194C, ALA196C, ALA30C, ALA62B, ALA63B, ALA72B, ALA75B, ARG181B, ARG208C, ASN191B, ASN191C, ASN35B, ASP192C, ASP201C, ASP70B, ASP78B, CYS58B, CYS61B, GLN202C, GLN206C, GLN31B, GLN31C, GLN32B, GLN32C, GLN77B, GLU209C, GLU49B, GLU52B, GLU65B, GLU69B, GLY179B, GLY180B, GLY190B, GLY190C, GLY195C, GLY29C, GLY46B, HIS119B, HIS60B, ILE204C, ILE36B, ILE48B, ILE64B, LEU188B, LEU197C, LEU203C, LEU51B, LEU81B, LYS198C, LYS47B, PHE176B, PRO174B, PRO186B, PRO186C, PRO59B, PRO66B, PRO76B, SER185B, SER207C, THR173B, THR184B, THR74B, TRP71B, TYR182B, TYR193B, TYR193C, TYR33B, VAL178B, VAL187B, VAL187C, VAL199C, VAL200C, VAL205C, VAL34B, VAL50B, VAL68B, VAL79B, VAL80B