3R9Q

structure of a probable 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.: 140
  • Norm. En. per Res.: -5.6416
• 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	-99.8425	-163.721	-470.231	-733.7945	134	13	10	18471	11	52	38
A-C	-71.0183	-184.1893	-492.403	-747.6106	145	17	10	19058	11	52	41
B-C	-109.1713	-193.7645	-486.883	-789.8188	140	14	10	18571	13	54	38

Interface residues

• A-B: ALA158B, ALA173A, ALA196A, ALA200A, ALA201A, ALA209A, ALA214A, ALA216A, ALA216B, ALA221A, ALA221B, ALA224A, ALA225A, ALA237A, ARG122A, ARG135B, ARG136B, ARG148A, ARG148B, ARG151A, ARG151B, ARG157A, ARG157B, ARG166B, ARG181A, ARG208A, ARG211A, ARG235A, ARG93B, ARG95B, ASN180A, ASN228A, ASP120A, ASP143B, ASP160B, ASP175A, ASP175B, ASP210A, ASP212A, ASP227A, CYS119A, CYS134B, CYS206A, GLN204A, GLN205A, GLN217A, GLN217B, GLU114B, GLU172A, GLU172B, GLU198A, GLU222A, GLU223A, GLU229A, GLU234A, GLU80B, GLY138B, GLY144B, GLY145B, GLY154A, GLY154B, GLY165B, GLY177A, GLY219A, GLY219B, GLY231A, GLY85B, GLY87B, HIS155A, HIS155B, HIS82B, HIS84B, ILE101A, ILE142B, ILE147B, ILE153A, ILE153B, ILE162B, ILE176A, ILE176B, ILE199A, ILE215A, ILE215B, ILE233A, LEU117A, LEU121A, LEU141B, LEU149A, LEU149B, LEU152A, LEU152B, LEU161B, LEU163B, LEU174A, LEU178A, LEU195A, LEU226A, LEU81B, LEU94B, LYS98A, MET159B, MET220A, MET220B, PHE133B, PHE202A, PHE230A, PRO140B, PRO150A, PRO150B, PRO167B, PRO203A, PRO83B, PRO86B, PRO88B, PRO99A, SER156B, SER213A, SER232A, SER92B, THR146B, THR164B, TRP118A, TRP118B, TRP137B, TRP218A, TRP218B, VAL100A, VAL132B, VAL139B, VAL168B, VAL179A, VAL207A, VAL236A, VAL54A
• A-C: ALA158A, ALA173C, ALA196C, ALA200C, ALA201C, ALA209C, ALA214C, ALA216A, ALA216C, ALA221C, ALA224C, ALA225C, ALA237C, ALA240C, ALA68A, ALA72A, ARG122C, ARG135A, ARG136A, ARG148A, ARG148C, ARG151A, ARG151C, ARG157A, ARG157C, ARG166A, ARG181C, ARG208C, ARG211C, ARG235C, ARG246C, ARG93A, ARG95A, ASN180C, ASN228C, ASP120C, ASP143A, ASP160A, ASP175A, ASP175C, ASP210C, ASP212C, ASP227C, ASP69A, CYS119C, CYS134A, CYS206C, GLN204C, GLN205C, GLN217A, GLN217C, GLU114A, GLU172A, GLU172C, GLU198C, GLU222C, GLU223C, GLU229C, GLU234C, GLU239C, GLU80A, GLY138A, GLY144A, GLY145A, GLY154A, GLY154C, GLY165A, GLY177C, GLY219A, GLY219C, GLY231C, GLY243C, GLY74A, GLY85A, GLY87A, HIS155A, HIS155C, HIS82A, HIS84A, ILE101C, ILE142A, ILE147A, ILE153A, ILE153C, ILE162A, ILE176A, ILE176C, ILE199C, ILE215A, ILE215C, ILE233C, LEU117C, LEU121C, LEU141A, LEU149A, LEU149C, LEU152A, LEU152C, LEU161A, LEU163A, LEU174C, LEU178C, LEU195C, LEU226C, LEU70A, LEU81A, LEU94A, LYS71A, LYS98C, MET159A, MET220A, MET220C, MET73A, PHE133A, PHE202C, PHE230C, PHE247C, PRO140A, PRO150A, PRO150C, PRO167A, PRO203C, PRO83A, PRO86A, PRO88A, PRO99C, SER156A, SER213C, SER232C, SER92A, THR146A, THR164A, TRP118A, TRP118C, TRP137A, TRP218A, TRP218C, VAL100C, VAL132A, VAL139A, VAL168A, VAL179C, VAL207C, VAL236C, VAL54C
• B-C: ALA158C, ALA173B, ALA196B, ALA200B, ALA201B, ALA209B, ALA214B, ALA216B, ALA216C, ALA221B, ALA221C, ALA224B, ALA225B, ALA237B, ALA240B, ALA244B, ARG122B, ARG135C, ARG136C, ARG148B, ARG148C, ARG151B, ARG151C, ARG157B, ARG157C, ARG166C, ARG181B, ARG208B, ARG211B, ARG235B, ARG93C, ARG95C, ASN171B, ASN180B, ASN228B, ASP120B, ASP143C, ASP160C, ASP175B, ASP175C, ASP210B, ASP212B, ASP227B, CYS119B, CYS134C, CYS206B, GLN204B, GLN205B, GLN217B, GLN217C, GLU114C, GLU172B, GLU172C, GLU198B, GLU222B, GLU223B, GLU229B, GLU234B, GLU239B, GLU80C, GLY138C, GLY144C, GLY145C, GLY154B, GLY154C, GLY165C, GLY177B, GLY219B, GLY219C, GLY231B, GLY243B, GLY85C, GLY87C, HIS155B, HIS155C, HIS82C, HIS84C, ILE101B, ILE142C, ILE147C, ILE153B, ILE153C, ILE162C, ILE176B, ILE176C, ILE199B, ILE215B, ILE215C, ILE233B, LEU117B, LEU121B, LEU141C, LEU149B, LEU149C, LEU152B, LEU152C, LEU161C, LEU163C, LEU174B, LEU178B, LEU195B, LEU226B, LEU81C, LEU94C, LYS98B, MET159C, MET220B, MET220C, MET73C, PHE133C, PHE202B, PHE230B, PRO140C, PRO150B, PRO150C, PRO167C, PRO203B, PRO83C, PRO86C, PRO88C, PRO99B, SER156C, SER213B, SER232B, SER92C, THR146C, THR164C, TRP118B, TRP118C, TRP137C, TRP218B, TRP218C, VAL100B, VAL132C, VAL139C, VAL168C, VAL179B, VAL207B, VAL236B, VAL54B