2FM8

crystal structure of the salmonella secretion chaperone invb in complex with sipa

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 119
  • Norm. En. per Res.: -4.0812
• 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	0.0	0.0356	-206.989	-206.9534	87	4	9	8963	0	22	21
A-C	-139.6624	27.3198	-373.323	-485.6656	119	23	13	14530	2	12	15
B-C	-3.5598	13.7714	-170.547	-160.3353	76	2	3	6966	0	13	15

Interface residues

• A-B: ALA70A, ALA70B, ALA84A, ALA84B, ARG69A, ARG69B, ARG85A, ARG85B, ASP107A, ASP49A, ASP49B, ASP50A, ASP50B, ASP51A, ASP51B, GLN67A, GLN67B, GLN68A, GLN68B, GLN88A, GLN88B, GLN94A, GLN94B, GLU72A, GLU72B, GLU79A, GLU79B, GLU93A, GLU93B, GLU97A, GLU97B, GLY80A, GLY80B, GLY86A, GLY86B, GLY87A, GLY87B, GLY92A, GLY92B, HIS105A, HIS105B, ILE73A, ILE73B, ILE77A, ILE77B, LEU103A, LEU103B, LEU133A, LEU66A, LEU66B, LEU74A, LEU74B, LEU89A, LEU89B, LEU90A, LEU90B, LEU91A, LEU91B, LEU98A, LEU98B, LYS101A, LYS101B, LYS48A, LYS48B, MET1B, MET63A, MET63B, MET75A, MET75B, MET78A, MET78B, PHE129A, PHE129B, PRO106A, PRO106B, SER62A, THR99A, THR99B, TRP53A, TRP53B, TYR71A, TYR71B, VAL104A, VAL64A, VAL64B, VAL65A, VAL65B
• A-C: ALA102A, ALA118A, ALA13A, ALA24C, ALA28C, ALA29C, ALA33C, ALA38C, ALA39A, ALA40C, ALA56A, ALA60A, ALA70A, ALA73C, ALA75C, ALA7A, ARG11A, ARG35C, ARG69A, ASN120A, ASN124A, ASN26C, ASN30C, ASN95A, ASP20A, ASP28A, ASP36A, ASP51A, ASP61A, ASP64C, ASP72C, CYS19A, CYS44A, CYS69C, GLN23C, GLN57A, GLN67A, GLN68A, GLN94A, GLU127A, GLU15A, GLU36C, GLU74C, GLU93A, GLU97A, GLY121A, GLY18A, GLY25A, GLY26A, GLY44C, GLY70C, GLY92A, GLY96A, HIS30A, ILE24A, ILE27A, ILE33A, ILE43A, ILE45A, ILE54A, LEU100A, LEU103A, LEU119A, LEU126A, LEU14A, LEU23A, LEU27C, LEU31C, LEU35A, LEU37A, LEU40A, LEU42C, LEU66A, LEU66C, LEU76C, LEU90A, LEU98A, LYS101A, LYS113C, LYS48A, LYS68C, LYS71C, LYS77C, MET117C, MET63A, PHE115A, PHE122A, PHE38A, PHE67C, PRO21A, SER116A, SER17A, SER22A, SER29A, SER31A, SER32C, SER37C, SER42A, SER43C, SER46A, THR117A, THR124C, THR25C, THR32A, THR39C, THR41C, THR99A, TRP53A, TRP55A, TYR123A, TYR71A, VAL10A, VAL16A, VAL34A, VAL34C, VAL47A, VAL52A, VAL64A, VAL65A
• B-C: ALA102C, ALA105C, ALA118B, ALA56C, ALA61C, ALA65C, ALA70B, ALA73C, ARG100C, ARG131B, ARG135B, ARG69B, ASN104C, ASN120B, ASN124B, ASP108C, ASP53C, ASP64C, ASP72C, CYS69C, CYS81B, GLN60C, GLN67B, GLN68B, GLU127B, GLU52C, GLU72B, GLU74C, GLU79B, GLY121B, GLY44C, GLY80B, GLY86B, GLY87B, HIS82B, ILE58C, ILE73B, ILE77B, LEU103C, LEU126B, LEU133B, LEU42C, LEU57C, LEU63C, LEU66C, LEU74B, LEU89B, LYS113C, LYS59C, LYS68C, LYS77C, MET134B, MET75B, MET78B, PHE122B, PHE129B, PHE54C, PHE67C, PHE83B, PHE99C, PRO55C, SER101C, SER107C, SER130B, SER132B, SER43C, SER62C, THR106C, THR117B, THR76B, TYR123B, TYR125B, TYR71B, VAL128B, VAL64B, VAL65B