1ZE3

crystal structure of the ternary complex of fimd (n- terminal domain) with fimc and the pilin domain of fimh

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-H
  • Int. Res.: 136
  • Norm. En. per Res.: -4.5101
• Hub Node: C(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
C-H	-223.7292	15.9984	-405.642	-613.3728	136	25	15	16621	0	9	11
C-D	-64.9204	-42.7431	-289.195	-396.8585	92	13	9	12306	5	21	16
H-D	0.0	0.0	-44.7356	-44.7356	24	4	1	1748	0	0	0

Interface residues

• C-H: ALA106C, ALA165C, ALA165H, ALA195C, ALA213H, ALA218H, ALA21C, ALA254H, ALA3C, ALA6C, ALA89C, ARG110C, ARG166H, ARG188C, ARG8C, ASN101C, ASN164C, ASN191C, ASN192H, ASN211H, ASN24C, ASN255H, ASN25C, ASN267H, ASN28C, ASN86C, ASP162H, ASP167H, ASP174H, ASP26C, ASP94C, CYS161H, CYS187H, GLN104C, GLN191H, GLN224H, GLN269H, GLN279H, GLU100C, GLU154C, GLU38C, GLY159H, GLY160H, GLY194C, GLY199H, GLY1C, GLY266H, GLY273H, GLY5C, ILE107C, ILE108C, ILE111C, ILE181H, ILE190C, ILE271H, ILE272H, ILE90C, LEU103C, LEU105C, LEU155C, LEU166C, LEU172H, LEU183H, LEU193H, LEU196C, LEU197H, LEU20C, LEU225H, LEU250H, LEU252H, LEU4C, LEU98C, LYS112C, LYS189H, LYS88C, LYS95C, LYS97C, MET85C, MET93C, PHE209H, PHE215H, PHE276H, PRO173H, PRO182H, PRO217H, PRO91C, SER109C, SER164H, SER190H, SER198H, SER214H, SER216H, SER270H, SER29C, SER92C, THR102C, THR151C, THR153C, THR158H, THR169H, THR171H, THR184H, THR189C, THR210H, THR212H, THR23C, THR253H, THR275H, THR30C, THR7C, THR99C, TRP36C, TRP84C, TYR114C, TYR175H, TYR186H, TYR193C, TYR195H, TYR196H, TYR256H, TYR278H, TYR31C, VAL152C, VAL161C, VAL163H, VAL168H, VAL170H, VAL179H, VAL185H, VAL221H, VAL223H, VAL268H, VAL274H, VAL277H, VAL2C, VAL87C
• C-D: ALA106C, ALA21C, ALA45D, ALA56C, ALA89C, ARG110D, ARG21D, ARG34D, ARG47D, ARG66C, ARG7D, ASN24D, ASN28C, ASN5D, ASN63C, ASP105D, ASP1D, ASP36D, ASP48D, ASP69C, ASP94C, GLN104C, GLN108D, GLN109D, GLN17C, GLN19C, GLN26D, GLN34C, GLU23D, GLU27D, GLU62C, GLY107D, GLY25D, GLY31D, ILE107C, ILE108C, ILE33C, ILE37D, ILE49C, ILE67C, ILE90C, LEU103C, LEU104D, LEU105C, LEU111D, LEU19D, LEU28D, LEU2D, LEU32C, LEU54C, LEU65C, LEU68C, LEU98C, LEU9D, LYS16C, LYS58C, LYS61C, LYS88C, LYS95C, LYS97C, MET57C, MET93C, PHE22D, PHE4D, PHE55C, PHE8D, PRO29D, PRO52C, PRO53C, PRO6D, PRO91C, SER20D, SER29C, SER35C, SER92C, SER96C, THR102C, THR30C, THR32D, THR46D, THR51C, THR64C, TRP36C, TYR31C, TYR33D, TYR38D, TYR3D, TYR43D, VAL106D, VAL22C, VAL35D, VAL50C
• H-D: ALA213H, ARG7D, ASN211H, ASN5D, GLN269H, GLY199H, GLY273H, ILE271H, ILE272H, LEU9D, PHE4D, PHE8D, PRO6D, SER198H, SER214H, SER270H, THR169H, THR200H, THR201H, THR210H, THR212H, TYR3D, VAL168H, VAL274H