2IBF

human vinculin's head domain (vh1, residues 1-258) in complex with two vinculin binding sites of shigella flexneri's ipaa (residues 565-587)

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 117
  • Norm. En. per Res.: -3.2981
• 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	-25.829	-25.8975	-334.155	-385.8815	117	42	30	16394	3	27	18
A-D	-13.3415	-21.5331	-137.548	-172.4225	61	27	5	7839	1	12	18

Interface residues

• A-B: ALA17A, ALA36A, ALA42A, ALA45A, ALA46A, ALA49A, ALA50A, ALA565B, ALA570B, ALA576B, ALA84A, ALA91A, ALA92A, ARG105A, ARG113A, ARG178A, ARG56A, ARG7A, ASN53A, ASN563B, ASP127A, ASP33A, ASP39A, ASP585B, ASP586B, CYS85A, GLN18A, GLN19A, GLN48A, GLN63A, GLU10A, GLU128A, GLU130A, GLU14A, GLU181A, GLU31A, GLU568B, GLU572B, GLU60A, GLY111A, GLY114A, GLY118A, GLY34A, GLY58A, HIS22A, HIS564B, HIS5A, ILE109A, ILE115A, ILE12A, ILE20A, ILE37A, ILE566B, ILE584B, ILE9A, LEU108A, LEU116A, LEU122A, LEU123A, LEU124A, LEU13A, LEU23A, LEU40A, LEU54A, LEU577B, LEU581B, LEU70A, LEU88A, LEU95A, LYS133A, LYS35A, LYS569B, LYS571B, LYS579B, LYS583B, LYS59A, MET26A, MET74A, PHE126A, PHE4A, PHE78A, PRO15A, PRO38A, PRO43A, SER112A, SER117A, SER11A, SER120A, SER21A, SER52A, SER574B, SER575B, SER578B, SER582B, THR119A, THR125A, THR41A, THR587B, THR61A, THR64A, THR65A, THR6A, THR8A, TYR567B, VAL16A, VAL24A, VAL32A, VAL44A, VAL47A, VAL51A, VAL55A, VAL573B, VAL57A, VAL580B, VAL62A, VAL81A, VAL89A
• A-D: ALA172A, ALA570D, ALA576D, ASN163A, ASN196A, ASN217A, ASP156A, ASP176A, ASP585D, GLU155A, GLU200A, GLU568D, GLU572D, GLY165A, GLY167A, ILE141A, ILE206A, ILE584D, LEU157A, LEU164A, LEU201A, LEU202A, LEU205A, LEU577D, LEU581D, LYS162A, LYS170A, LYS173A, LYS199A, LYS210A, LYS569D, LYS571D, LYS579D, LYS583D, MET154A, MET168A, MET171A, MET195A, MET209A, PRO166A, PRO203A, SER207A, SER218A, SER574D, SER575D, SER578D, SER582D, THR153A, THR159A, THR161A, THR169A, THR214A, TYR160A, TYR567D, VAL151A, VAL158A, VAL198A, VAL204A, VAL213A, VAL573D, VAL580D