3RSI

the structure of a putative enoyl-coa hydratase/isomerase from mycobacterium abscessus atcc 19977 / dsm 44196

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 370
  • Norm. En. per Res.: -5.5821
• 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	-84.2922	-62.5156	-523.985	-670.7928	155	15	18	20295	4	52	50
A-C	-103.6847	-60.7621	-575.222	-739.6688	154	20	18	21661	4	53	53
B-C	-405.0697	-214.9199	-1445.38	-2065.3696	370	49	70	55670	12	110	96

Interface residues

• A-B: ALA103A, ALA144B, ALA159B, ALA174A, ALA197A, ALA207A, ALA211A, ALA214A, ALA222A, ALA222B, ALA226A, ALA228A, ALA231A, ALA241A, ALA243A, ALA248A, ALA249A, ALA256A, ALA52A, ALA52B, ARG123A, ARG138B, ARG149A, ARG149B, ARG152A, ARG152B, ARG199A, ARG202A, ARG209A, ARG217A, ARG217B, ARG227A, ARG235A, ARG244A, ARG51B, ASN203A, ASN210A, ASP121A, ASP225A, ASP242A, GLN118A, GLN119A, GLN119B, GLN137B, GLN153A, GLN153B, GLU115B, GLU135B, GLU161B, GLU167B, GLU173A, GLU173B, GLU213A, GLU223A, GLU223B, GLU224A, GLU230A, GLU245A, GLU255A, GLY139B, GLY143B, GLY145B, GLY166B, GLY178A, GLY181A, GLY204A, GLY219A, GLY219B, GLY246A, GLY88B, HIS176A, HIS176B, HIS182A, HIS95B, ILE102A, ILE122A, ILE154A, ILE154B, ILE163B, ILE200A, ILE215A, ILE229A, ILE238A, LEU101A, LEU117A, LEU133B, LEU140B, LEU150A, LEU150B, LEU164A, LEU164B, LEU169B, LEU179A, LEU196A, LEU206A, LEU221A, LEU221B, LEU233A, LEU247A, LEU92B, LEU93B, LEU97A, LYS151A, LYS151B, LYS158B, LYS192A, LYS212A, LYS99A, MET147B, MET160B, MET162B, PHE172A, PHE172B, PHE177A, PHE177B, PHE250A, PHE258A, PRO100A, PRO134B, PRO142B, PRO155A, PRO155B, PRO168B, PRO205A, PRO236A, SER146B, SER195A, SER218A, SER218B, SER240A, SER94B, THR120A, THR157B, THR165B, THR234A, THR239A, THR96A, THR96B, THR98A, TRP220A, TRP220B, TYR156A, TYR156B, TYR175A, VAL124A, VAL136B, VAL141B, VAL148B, VAL180A, VAL183A, VAL201A, VAL208A, VAL216A, VAL216B, VAL237A
• A-C: ALA103C, ALA144A, ALA159A, ALA174C, ALA197C, ALA207C, ALA211C, ALA214C, ALA222A, ALA222C, ALA226C, ALA228C, ALA231C, ALA241C, ALA243C, ALA248C, ALA249C, ALA256C, ARG123C, ARG138A, ARG149A, ARG149C, ARG152A, ARG152C, ARG199C, ARG202C, ARG209C, ARG217A, ARG217C, ARG227C, ARG235C, ARG244C, ARG261C, ARG26A, ASN203C, ASN210C, ASP121C, ASP225C, ASP242C, GLN118A, GLN118C, GLN119A, GLN119C, GLN137A, GLN153A, GLN153C, GLU115A, GLU135A, GLU161A, GLU167A, GLU173A, GLU173C, GLU213C, GLU223C, GLU224C, GLU230C, GLU245C, GLY139A, GLY143A, GLY145A, GLY166A, GLY178C, GLY181C, GLY204C, GLY219A, GLY219C, GLY246C, GLY65A, GLY66A, GLY88A, HIS176A, HIS176C, HIS182C, HIS95A, ILE102C, ILE122C, ILE154A, ILE154C, ILE163A, ILE200C, ILE215C, ILE229C, ILE238C, LEU101C, LEU110A, LEU117C, LEU133A, LEU140A, LEU150A, LEU150C, LEU164A, LEU169A, LEU179C, LEU196C, LEU206C, LEU221A, LEU221C, LEU233C, LEU247C, LEU92A, LEU93A, LYS151A, LYS151C, LYS158A, LYS192C, LYS212C, LYS251C, LYS99C, MET147A, MET160A, MET162A, PHE172A, PHE172C, PHE177A, PHE177C, PHE250C, PHE258C, PRO100C, PRO134A, PRO142A, PRO155A, PRO155C, PRO168A, PRO205C, PRO236C, SER146A, SER195C, SER218A, SER218C, SER240C, SER94A, THR120C, THR157A, THR165A, THR234C, THR239C, THR96A, THR96C, TRP220A, TRP220C, TYR156A, TYR175C, VAL124C, VAL136A, VAL141A, VAL148A, VAL180C, VAL183C, VAL201C, VAL208C, VAL216A, VAL216C, VAL237C, VAL64A
• B-C: ALA103B, ALA103C, ALA104B, ALA104C, ALA108B, ALA108C, ALA129B, ALA129C, ALA144B, ALA144C, ALA159C, ALA174B, ALA189B, ALA189C, ALA193B, ALA193C, ALA197B, ALA197C, ALA207B, ALA211B, ALA214B, ALA222B, ALA222C, ALA226B, ALA228B, ALA231B, ALA241B, ALA243B, ALA249B, ALA256B, ALA256C, ALA28B, ALA28C, ALA38B, ALA38C, ALA39B, ALA39C, ALA40B, ALA40C, ALA52B, ALA52C, ALA53B, ALA53C, ALA58B, ALA58C, ALA61B, ALA61C, ALA85B, ALA85C, ARG11B, ARG11C, ARG123B, ARG123C, ARG138C, ARG149B, ARG149C, ARG152B, ARG152C, ARG194B, ARG194C, ARG199B, ARG199C, ARG202B, ARG202C, ARG209B, ARG209C, ARG217B, ARG217C, ARG227B, ARG235B, ARG244B, ARG257B, ARG257C, ARG261B, ARG261C, ARG26B, ARG26C, ARG51B, ARG51C, ASN106B, ASN106C, ASN203B, ASN203C, ASN210B, ASN27B, ASN27C, ASN32C, ASP121B, ASP121C, ASP126B, ASP126C, ASP12B, ASP12C, ASP191B, ASP191C, ASP198B, ASP198C, ASP225B, ASP242B, ASP242C, ASP42B, ASP42C, ASP45B, ASP45C, ASP47B, ASP47C, ASP48B, ASP48C, ASP67B, ASP83B, ASP83C, CYS109B, CYS109C, CYS114B, CYS114C, CYS63B, CYS63C, GLN118B, GLN118C, GLN119B, GLN119C, GLN137C, GLN153B, GLN153C, GLN36B, GLN36C, GLU10B, GLU10C, GLU115B, GLU115C, GLU135B, GLU135C, GLU161C, GLU167C, GLU173B, GLU173C, GLU213B, GLU223B, GLU224B, GLU230B, GLU245B, GLU255B, GLU43B, GLU43C, GLY107B, GLY107C, GLY111B, GLY111C, GLY112B, GLY112C, GLY113B, GLY113C, GLY132B, GLY132C, GLY139C, GLY13B, GLY13C, GLY143C, GLY145C, GLY166C, GLY178B, GLY181B, GLY187B, GLY187C, GLY204B, GLY204C, GLY219B, GLY219C, GLY246B, GLY260B, GLY260C, GLY49B, GLY49C, GLY57B, GLY57C, GLY59B, GLY59C, GLY65B, GLY65C, GLY66B, GLY88B, GLY88C, GLY90B, GLY90C, HIS128B, HIS128C, HIS176B, HIS176C, HIS182B, HIS46B, HIS46C, HIS95B, HIS95C, ILE102B, ILE102C, ILE122B, ILE122C, ILE154B, ILE154C, ILE163C, ILE17B, ILE17C, ILE200B, ILE200C, ILE215B, ILE229B, ILE238B, ILE44B, ILE44C, ILE50B, ILE50C, ILE54B, ILE54C, ILE87B, ILE87C, LEU101B, LEU101C, LEU110B, LEU110C, LEU117B, LEU117C, LEU133B, LEU133C, LEU140C, LEU150B, LEU150C, LEU164C, LEU169C, LEU179B, LEU18B, LEU18C, LEU190B, LEU190C, LEU196B, LEU196C, LEU206B, LEU206C, LEU221B, LEU221C, LEU233B, LEU247B, LEU29B, LEU29C, LEU55B, LEU55C, LEU7B, LEU7C, LEU82B, LEU91B, LEU91C, LEU92B, LEU92C, LEU93B, LEU93C, LEU97B, LEU97C, LYS151B, LYS151C, LYS158C, LYS192B, LYS192C, LYS212B, LYS212C, LYS89B, LYS89C, LYS99B, LYS99C, MET116B, MET116C, MET147C, MET160C, MET162C, MET20B, MET20C, MET33B, MET33C, PHE131B, PHE131C, PHE172B, PHE172C, PHE177B, PHE177C, PHE250B, PHE258B, PHE258C, PHE37B, PHE37C, PRO100B, PRO100C, PRO134B, PRO134C, PRO142C, PRO14B, PRO14C, PRO155B, PRO155C, PRO168C, PRO205B, PRO205C, PRO236B, PRO23C, SER125B, SER125C, SER146C, SER195B, SER195C, SER218B, SER218C, SER240B, SER30B, SER30C, SER35B, SER35C, SER60B, SER60C, SER94C, THR120B, THR120C, THR130B, THR130C, THR157C, THR165C, THR19B, THR19C, THR234B, THR239B, THR259B, THR259C, THR31B, THR31C, THR56B, THR56C, THR86B, THR86C, THR96B, THR96C, THR98B, THR98C, TRP220B, TRP220C, TRP41B, TRP41C, TYR156C, TYR175B, TYR62B, TYR62C, VAL105B, VAL105C, VAL124B, VAL124C, VAL136C, VAL141C, VAL148C, VAL15B, VAL15C, VAL16B, VAL16C, VAL180B, VAL183B, VAL201B, VAL201C, VAL208B, VAL208C, VAL216B, VAL216C, VAL237B, VAL34B, VAL34C, VAL64B, VAL64C