3IL4

structure of e. faecalis fabh in complex with acetyl coa

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 275
  • Norm. En. per Res.: -4.3382
• 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	-186.4547	-59.0158	-947.54	-1193.0105	275	78	20	36956	1	31	30
A-D	-26.8712	-77.1573	-126.789	-230.8174	88	11	0	5556	4	53	56
C-D	-145.4168	-56.6977	-964.712	-1166.8266	273	68	22	37107	2	31	34

Interface residues

• A-B: ALA102A, ALA102B, ALA105A, ALA105B, ALA108A, ALA108B, ALA110A, ALA110B, ALA115A, ALA115B, ALA116A, ALA116B, ALA123A, ALA123B, ALA127A, ALA127B, ALA159A, ALA159B, ALA186A, ALA186B, ALA193A, ALA193B, ALA96A, ALA96B, ARG135A, ARG135B, ARG190A, ARG190B, ARG48A, ARG48B, ASN181A, ASN181B, ASN201A, ASN201B, ASN21A, ASN21B, ASN234A, ASN280A, ASN280B, ASN55A, ASN55B, ASN7A, ASN7B, ASN91A, ASN91B, ASP112A, ASP112B, ASP152A, ASP152B, ASP164A, ASP164B, ASP187A, ASP187B, ASP58A, ASP58B, ASP79A, ASP79B, ASP89A, ASP89B, CYS117A, CYS117B, CYS97A, CYS97B, GLN100A, GLN100B, GLN185A, GLN185B, GLN189A, GLN189B, GLN207A, GLN207B, GLN217A, GLN217B, GLN27A, GLN27B, GLN53A, GLN53B, GLN98A, GLN98B, GLU107A, GLU107B, GLU128A, GLU128B, GLU145A, GLU145B, GLU182A, GLU182B, GLU202A, GLU202B, GLU54A, GLU54B, GLY101A, GLY101B, GLY104A, GLY104B, GLY119A, GLY119B, GLY134A, GLY134B, GLY188A, GLY188B, GLY197A, GLY197B, GLY208A, GLY208B, GLY313A, GLY313B, GLY314A, GLY314B, GLY315A, GLY315B, GLY319A, GLY319B, HIS209A, HIS209B, ILE103A, ILE103B, ILE113A, ILE113B, ILE200A, ILE200B, ILE223A, ILE223B, ILE50A, ILE50B, ILE81A, ILE81B, LEU130A, LEU130B, LEU132A, LEU132B, LEU151A, LEU151B, LEU180A, LEU180B, LEU184A, LEU184B, LEU194A, LEU194B, LEU216A, LEU216B, LEU238A, LEU238B, LEU28A, LEU28B, LEU316A, LEU316B, LEU321A, LEU321B, LEU322A, LEU322B, LEU323B, LEU82A, LEU82B, LYS129A, LYS129B, LYS149A, LYS149B, LYS183A, LYS183B, LYS210A, LYS210B, LYS214A, LYS214B, MET126A, MET126B, MET150A, MET150B, MET218A, MET218B, MET31A, MET31B, MET32A, MET32B, MET92A, MET92B, PHE109A, PHE109B, PHE111A, PHE111B, PHE147A, PHE147B, PHE162A, PHE162B, PHE179A, PHE179B, PHE205A, PHE205B, PHE80A, PHE80B, PHE90A, PHE90B, PRO204A, PRO204B, PRO88A, PRO88B, PRO93A, PRO93B, SER114A, SER114B, SER118A, SER118B, SER125A, SER125B, SER133A, SER133B, SER148A, SER148B, SER196A, SER196B, SER203A, SER203B, SER213A, SER213B, SER282A, SER282B, SER320B, SER57A, SER57B, SER94A, SER94B, THR106A, THR106B, THR146A, THR146B, THR154A, THR154B, THR192A, THR192B, THR195A, THR195B, THR199A, THR199B, THR215A, THR215B, THR24A, THR24B, THR317A, THR317B, THR52A, THR52B, THR56A, THR56B, THR85A, THR85B, THR87A, THR87B, TRP153A, TRP153B, TRP191A, TRP191B, TRP318A, TRP318B, TYR122A, TYR122B, TYR136A, TYR136B, TYR198A, TYR198B, TYR206A, TYR206B, VAL131A, VAL131B, VAL23A, VAL23B, VAL51A, VAL51B, VAL83A, VAL83B, VAL86A, VAL86B, VAL95A, VAL95B, VAL99A, VAL99B
• A-D: ALA261D, ALA293A, ALA293D, ARG156A, ARG156D, ARG255A, ARG255D, ARG262A, ARG262D, ARG268A, ARG268D, ARG42A, ARG42D, ASN274A, ASN274D, ASN296A, ASN296D, ASP258A, ASP258D, ASP276A, ASP276D, ASP36A, ASP36D, GLN251D, GLU269A, GLU269D, GLU292A, GLU292D, GLU295A, GLU295D, GLU30A, GLU30D, GLU37A, GLU37D, GLU47A, GLU47D, GLY297A, GLY297D, GLY44A, GLY44D, HIS26A, HIS26D, HIS40A, HIS40D, ILE257A, ILE257D, ILE266D, ILE39A, ILE39D, LEU247A, LEU247D, LEU272A, LEU272D, LEU289A, LEU289D, LYS259A, LYS259D, LYS270A, LYS270D, LYS277A, LYS277D, MET275A, MET275D, PHE271A, PHE271D, SER267A, SER267D, SER29A, SER29D, SER35A, SER35D, SER41A, SER41D, SER46A, SER46D, THR24A, THR273A, THR273D, THR298A, THR298D, THR34A, THR34D, TRP38A, TRP38D, TYR246A, TYR246D, VAL254A, VAL254D
• C-D: ALA102C, ALA102D, ALA105C, ALA105D, ALA108C, ALA108D, ALA110C, ALA110D, ALA115C, ALA115D, ALA116C, ALA116D, ALA123C, ALA123D, ALA127C, ALA127D, ALA159C, ALA159D, ALA186C, ALA186D, ALA193C, ALA193D, ALA96C, ALA96D, ARG135C, ARG135D, ARG190C, ARG190D, ARG48C, ARG48D, ASN181C, ASN181D, ASN201C, ASN201D, ASN21C, ASN21D, ASN234C, ASN280C, ASN280D, ASN55C, ASN55D, ASN7C, ASN7D, ASN91C, ASN91D, ASP112C, ASP112D, ASP152C, ASP152D, ASP164C, ASP164D, ASP187C, ASP187D, ASP58C, ASP58D, ASP79C, ASP79D, ASP89C, ASP89D, CYS117C, CYS117D, CYS97C, CYS97D, GLN100C, GLN100D, GLN185C, GLN185D, GLN189C, GLN189D, GLN207C, GLN207D, GLN217C, GLN217D, GLN27C, GLN27D, GLN53C, GLN53D, GLN98C, GLN98D, GLU107C, GLU107D, GLU128C, GLU128D, GLU145C, GLU145D, GLU182C, GLU182D, GLU202C, GLU202D, GLU54C, GLU54D, GLY101C, GLY101D, GLY104C, GLY104D, GLY119C, GLY119D, GLY134C, GLY134D, GLY188C, GLY188D, GLY197C, GLY197D, GLY208C, GLY208D, GLY313C, GLY313D, GLY314C, GLY314D, GLY315C, GLY315D, GLY319C, GLY319D, HIS209C, HIS209D, ILE103C, ILE103D, ILE113C, ILE113D, ILE200C, ILE200D, ILE223D, ILE50C, ILE50D, ILE81C, ILE81D, LEU130C, LEU130D, LEU132C, LEU132D, LEU151C, LEU151D, LEU180C, LEU180D, LEU184C, LEU184D, LEU194C, LEU194D, LEU216C, LEU216D, LEU238C, LEU238D, LEU28C, LEU28D, LEU316C, LEU316D, LEU321C, LEU321D, LEU322C, LEU322D, LEU82C, LEU82D, LYS129C, LYS129D, LYS149C, LYS149D, LYS183C, LYS183D, LYS210C, LYS210D, LYS214C, LYS214D, MET126C, MET126D, MET150C, MET150D, MET218C, MET218D, MET31C, MET31D, MET32C, MET32D, MET92C, MET92D, PHE109C, PHE109D, PHE111C, PHE111D, PHE147C, PHE147D, PHE162C, PHE162D, PHE179C, PHE179D, PHE205C, PHE205D, PHE80C, PHE80D, PHE90C, PHE90D, PRO204C, PRO204D, PRO88C, PRO88D, PRO93C, PRO93D, SER114C, SER114D, SER118C, SER118D, SER125C, SER125D, SER133C, SER133D, SER148C, SER148D, SER196C, SER196D, SER203C, SER203D, SER213C, SER213D, SER282C, SER282D, SER320C, SER57C, SER57D, SER94C, SER94D, THR106C, THR106D, THR146C, THR146D, THR154C, THR154D, THR192C, THR192D, THR195C, THR195D, THR199C, THR199D, THR215C, THR215D, THR24C, THR24D, THR317C, THR317D, THR52C, THR52D, THR56C, THR56D, THR85C, THR85D, THR87C, THR87D, TRP153C, TRP153D, TRP191C, TRP191D, TRP318C, TRP318D, TYR122C, TYR122D, TYR136C, TYR136D, TYR198C, TYR198D, TYR206C, TYR206D, VAL131C, VAL131D, VAL23C, VAL23D, VAL51C, VAL51D, VAL83C, VAL83D, VAL86C, VAL86D, VAL95C, VAL95D, VAL99C, VAL99D