1ME5

crystal structure of mycobacterium tuberculosis alkylperoxidase ahpd h132q mutant

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 132
  • Norm. En. per Res.: -3.4554
• 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	-29.6412	10.8004	-450.289	-469.1297	140	23	21	18275	4	25	26
A-C	-23.2453	-37.0395	-395.834	-456.1188	132	38	17	16869	2	24	23
B-C	-42.6175	-54.2516	-382.021	-478.8901	144	29	19	16863	4	25	25

Interface residues

• A-B: ALA108B, ALA123A, ALA126A, ALA136A, ALA14A, ALA150A, ALA154A, ALA157A, ALA158A, ALA159A, ALA165A, ALA167A, ALA169A, ALA173A, ALA41B, ALA43B, ALA44B, ALA45A, ALA45B, ALA53B, ALA57B, ALA59B, ALA66B, ALA70B, ALA71B, ALA74B, ALA75B, ALA76B, ARG103B, ARG142A, ARG148A, ARG47A, ARG47B, ARG68B, ARG86A, ARG86B, ARG88B, ARG94B, ARG99B, ASN105B, ASN128A, ASN128B, ASN20A, ASN48A, ASN48B, ASN81B, ASN82B, ASP147A, ASP16A, ASP54B, ASP96B, ASP97B, CYS130A, CYS133A, GLN132A, GLN166A, GLN50B, GLU12A, GLU138A, GLU149A, GLU153A, GLU172A, GLU92B, GLY101B, GLY129A, GLY129B, GLY163A, GLY56B, GLY73B, GLY79B, GLY87B, GLY89B, GLY93B, HIS137A, HIS139A, HIS69B, ILE106B, ILE107B, ILE127A, ILE127B, ILE151A, ILE160A, ILE171A, ILE17A, ILE24A, ILE55B, ILE77B, LEU102B, LEU10A, LEU134A, LEU141A, LEU155A, LEU168A, LEU174A, LEU19A, LEU21A, LEU40B, LEU52B, LEU72B, LEU91B, LEU98B, LYS156A, LYS15A, LYS18A, MET104B, MET78B, MET80B, PHE117B, PHE122A, PHE152A, PHE84B, PHE90A, PHE90B, PRO100B, PRO110B, PRO11A, PRO49A, PRO49B, SER125A, SER131A, SER162A, SER175A, SER23A, SER42A, SER42B, THR170A, THR46A, THR46B, TYR13A, TYR85B, TYR95B, VAL124A, VAL124B, VAL135A, VAL146A, VAL161A, VAL164A, VAL29A, VAL51B, VAL83B
• A-C: ALA108A, ALA123C, ALA126C, ALA136C, ALA14C, ALA150C, ALA154C, ALA157C, ALA158C, ALA159C, ALA165C, ALA167C, ALA169C, ALA41A, ALA43A, ALA44A, ALA45A, ALA65A, ALA66A, ALA70A, ALA71A, ALA74A, ALA75A, ALA76A, ARG103A, ARG142C, ARG148C, ARG47A, ARG47C, ARG68A, ARG86A, ARG86C, ARG88A, ARG94A, ARG99A, ASN105A, ASN128A, ASN128C, ASN20C, ASN48A, ASN48C, ASN81A, ASN82A, ASN82C, ASP147C, ASP16C, ASP96A, ASP97A, CYS130C, CYS133C, GLN132C, GLN166C, GLU12C, GLU138C, GLU149C, GLU153C, GLU92A, GLY101A, GLY129A, GLY129C, GLY163C, GLY73A, GLY79A, GLY87A, GLY89A, GLY93A, HIS137C, HIS139C, HIS69A, ILE106A, ILE107A, ILE127A, ILE127C, ILE151C, ILE160C, ILE171C, ILE17C, ILE24C, ILE77A, LEU102A, LEU10C, LEU134C, LEU141C, LEU155C, LEU168C, LEU19C, LEU21C, LEU40A, LEU52A, LEU72A, LEU91A, LEU98A, LYS156C, LYS15C, LYS18C, MET104A, MET78A, MET80A, PHE117A, PHE122C, PHE152C, PHE84A, PHE90A, PHE90C, PRO100A, PRO110A, PRO11C, PRO49A, PRO49C, SER125C, SER131C, SER162C, SER22C, SER23C, SER42A, SER42C, THR170C, THR25C, THR46A, THR46C, TYR13C, TYR85A, TYR95A, VAL124A, VAL124C, VAL135C, VAL146C, VAL161C, VAL164C, VAL29C, VAL51C, VAL83A
• B-C: ALA108C, ALA123B, ALA126B, ALA136B, ALA14B, ALA150B, ALA154B, ALA157B, ALA158B, ALA159B, ALA165B, ALA167B, ALA169B, ALA173B, ALA41C, ALA43C, ALA44C, ALA45C, ALA53C, ALA57C, ALA65C, ALA66C, ALA70C, ALA71C, ALA74C, ALA75C, ALA76C, ARG103C, ARG142B, ARG148B, ARG47B, ARG47C, ARG68C, ARG86B, ARG86C, ARG88C, ARG94C, ARG99C, ASN105C, ASN128B, ASN128C, ASN20B, ASN48B, ASN48C, ASN81C, ASN82B, ASN82C, ASP147B, ASP16B, ASP54C, ASP96C, ASP97C, CYS130B, CYS130C, CYS133B, GLN132B, GLN132C, GLN166B, GLN50C, GLU12B, GLU138B, GLU149B, GLU153B, GLU172B, GLU92C, GLY101C, GLY129B, GLY129C, GLY163B, GLY56C, GLY73C, GLY79C, GLY87C, GLY89C, GLY93C, HIS137B, HIS139B, HIS69C, ILE106C, ILE107C, ILE127B, ILE127C, ILE151B, ILE160B, ILE171B, ILE17B, ILE24B, ILE55C, ILE77C, LEU102C, LEU10B, LEU134B, LEU141B, LEU155B, LEU168B, LEU174B, LEU19B, LEU21B, LEU40C, LEU52C, LEU72C, LEU91C, LEU98C, LYS156B, LYS15B, LYS18B, MET104C, MET78C, MET80C, PHE117C, PHE122B, PHE152B, PHE84C, PHE90B, PHE90C, PRO100C, PRO110C, PRO11B, PRO49B, PRO49C, SER125B, SER131B, SER162B, SER175B, SER23B, SER42B, SER42C, THR140B, THR170B, THR46B, THR46C, THR60C, TYR13B, TYR85C, TYR95C, VAL124B, VAL124C, VAL135B, VAL146B, VAL161B, VAL164B, VAL29B, VAL51C, VAL83C