3K1I

crystal strcture of flis-hp1076 complex in h. pylori

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 85
  • Norm. En. per Res.: -3.046
• Hub Node: A(3)

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	0.0	-9.0467	-117.088	-126.1347	69	5	9	5577	0	18	20
A-C	0.0	0.0	-0.0016	-0.0016	2	0	0	1	0	0	0
A-D	-18.1814	-12.6993	-208.344	-239.2247	86	18	5	10216	2	15	13
B-C	-27.4501	-12.4116	-219.048	-258.9098	85	14	5	10143	2	14	13

Interface residues

• A-B: ALA110B, ALA116A, ALA116B, ALA77A, ALA77B, ARG111B, ARG118B, ASN108A, ASN108B, ASP69A, GLN87A, GLN87B, GLU115A, GLU115B, GLU119A, GLU119B, GLU71A, GLU75A, GLU75B, GLY112A, GLY112B, GLY73A, GLY73B, GLY74A, GLY74B, GLY82A, GLY82B, HIS121A, HIS121B, HIS86A, HIS86B, ILE120A, ILE120B, ILE24B, LEU105A, LEU105B, LEU113A, LEU113B, LEU114B, LEU64B, LEU68B, LEU80A, LEU80B, LEU83A, LEU83B, LYS102B, LYS72A, LYS72B, LYS89B, SER101B, THR81A, THR81B, THR85B, TRP117A, TRP117B, TYR28A, TYR28B, TYR70A, TYR79A, TYR79B, TYR84A, TYR84B, VAL106B, VAL109A, VAL109B, VAL76A, VAL76B, VAL78A, VAL78B
• A-C: GLU115A, LEU146C
• A-D: ALA31D, ALA46D, ALA90D, ALA94A, ARG35D, ARG56A, ASN103D, ASN39D, ASN41D, ASN55A, ASN66A, ASN95A, ASN98A, ASP36D, ASP46A, ASP59A, GLN29D, GLN48D, GLN51D, GLN87A, GLN87D, GLN93A, GLU144D, GLU42D, GLU45A, GLU48A, GLU63A, GLU97A, GLY140D, GLY45D, HIS86A, ILE100D, ILE135D, ILE30D, ILE40D, ILE42A, ILE47A, ILE51A, ILE52D, ILE54A, ILE60A, ILE67A, ILE88A, LEU138D, LEU139D, LEU142D, LEU146D, LEU47D, LEU50D, LEU64A, LEU65A, LEU68A, LEU89D, LEU91A, LEU93D, LYS102A, LYS136D, LYS38D, LYS49A, LYS50A, LYS55D, LYS89A, MET37D, PHE33D, PHE61A, PHE88D, SER143D, SER145D, SER27D, SER34D, SER43D, SER91D, THR58A, THR62A, THR81A, THR85A, THR92A, TYR141D, TYR52A, TYR70A, TYR84A, VAL44D, VAL49D, VAL57A, VAL90A, VAL96A
• B-C: ALA31C, ALA46C, ALA90C, ALA94B, ARG35C, ARG56B, ASN103C, ASN39C, ASN41C, ASN55B, ASN66B, ASN95B, ASN98B, ASP36C, ASP46B, ASP59B, GLN28C, GLN29C, GLN48C, GLN51C, GLN87B, GLN87C, GLN93B, GLU144C, GLU42C, GLU45B, GLU48B, GLU63B, GLU97B, GLY140C, GLY45C, GLY82B, HIS86B, ILE100C, ILE30C, ILE40C, ILE42B, ILE47B, ILE51B, ILE52C, ILE54B, ILE60B, ILE67B, ILE88B, LEU138C, LEU139C, LEU142C, LEU146C, LEU47C, LEU50C, LEU64B, LEU65B, LEU68B, LEU89C, LEU91B, LEU93C, LYS102B, LYS136C, LYS38C, LYS49B, LYS50B, LYS89B, MET37C, PHE33C, PHE61B, PHE88C, SER143C, SER145C, SER34C, SER43C, SER91C, THR58B, THR62B, THR81B, THR85B, THR92B, TYR141C, TYR52B, TYR70B, TYR84B, VAL44C, VAL49C, VAL57B, VAL90B, VAL96B