2E4M

crystal structure of hemagglutinin subcomponent complex (ha- 33/ha-17) from clostridium botulinum serotype d strain 4947

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 118
  • Norm. En. per Res.: -3.4224
• 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	-40.2449	4.1693	-367.768	-403.8436	118	12	7	13227	0	12	14
A-C	-16.4679	1.098	-198.336	-213.7059	68	7	1	6998	0	1	2
B-C	-15.6768	0.0	-99.2434	-114.9202	47	2	1	3784	0	0	2

Interface residues

• A-B: ALA58A, ALA58B, ALA6B, ARG102A, ARG102B, ARG107A, ARG107B, ARG10A, ARG10B, ASN103A, ASN103B, ASN108A, ASN108B, ASN111A, ASN111B, ASN113A, ASN113B, ASN11A, ASN11B, ASN12A, ASN12B, ASN131A, ASN131B, ASN133A, ASN133B, ASN55A, ASN55B, ASN5A, ASN5B, ASN7B, ASN89A, ASN89B, ASP53A, ASP53B, ASP8A, ASP8B, ASP98A, ASP98B, GLN129A, GLN129B, GLN135A, GLN135B, GLN3A, GLN3B, GLN57A, GLN57B, GLN97A, GLN97B, GLU13A, GLU13B, GLU192A, GLU192B, ILE100A, ILE100B, ILE105A, ILE105B, ILE51A, ILE51B, LEU106A, LEU106B, LEU114A, LEU114B, LEU50A, LEU50B, LEU95A, LEU95B, LEU96A, LEU96B, LEU9A, LEU9B, LYS138A, LYS138B, LYS194A, LYS56A, LYS56B, MET110A, MET110B, PHE136A, PHE136B, PRO112A, PRO112B, SER101A, SER101B, SER127A, SER127B, SER132A, SER132B, SER195A, SER195B, SER20A, SER20B, THR128A, THR128B, THR130A, THR130B, THR193A, THR193B, THR54A, THR54B, TRP93A, TRP93B, TYR109A, TYR109B, TYR190B, TYR52A, TYR52B, TYR59A, TYR59B, TYR92A, TYR92B, TYR94A, TYR94B, TYR99A, TYR99B, VAL104A, VAL104B, VAL115A, VAL115B
• A-C: ALA75A, ASN108A, ASN111A, ASN113A, ASN117C, ASN119A, ASN120C, ASN128C, ASN134A, ASN138C, ASN71C, ASN89A, ASN90A, ASP116C, ASP121A, ASP123C, ASP72C, ASP74A, GLN117A, GLN124C, GLN129A, GLN135A, GLY30C, GLY74C, ILE114C, ILE121C, ILE125A, ILE126C, ILE76C, LEU114A, LEU127C, LEU129C, LEU32C, LEU35C, LEU77A, LYS56A, MET110A, PHE34C, PHE75C, PRO112A, PRO125C, PRO130C, PRO76A, SER127A, SER28C, SER29C, SER31C, SER33C, SER78A, SER79A, THR113C, THR120A, THR122C, THR123A, THR128A, THR130A, THR26C, THR88A, TRP73A, TYR109A, TYR110C, TYR115C, TYR118A, TYR73C, TYR77C, TYR94A, VAL115A, VAL126A
• B-C: ALA111C, ALA75B, ASN106C, ASN111B, ASN113B, ASN117C, ASN118C, ASN128C, ASN131B, ASN131C, ASN136C, ASN138C, ASP109C, ASP116C, ASP133C, ASP74B, GLN124C, GLN129B, GLN135B, GLN139C, GLY74C, ILE125B, LEU114B, LEU127C, LEU129C, LEU77B, MET110B, PHE132C, PRO112B, PRO130C, PRO76B, SER127B, SER132B, SER78B, SER79B, THR108C, THR113C, THR128B, THR130B, TRP73B, TYR110C, TYR115C, TYR73C, VAL105C, VAL107C, VAL115B, VAL126B