3DTU

catalytic core subunits (i and ii) of cytochrome c oxidase from rhodobacter sphaeroides complexed with deoxycholic acid

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 331
  • Norm. En. per Res.: -4.1417
• Hub Node: A(3)

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	-153.772	-66.0194	-1130.41	-1350.2014	333	28	33	44993	8	51	58
A-C	0.0	0.0	-0.1459	-0.1459	6	0	0	28	0	8	2
A-D	-15.7197	-39.7033	-49.1195	-104.5425	28	2	0	1763	2	6	4
B-C	-7.2263	-15.1836	-39.0616	-61.4715	25	1	0	1285	0	7	3
B-D	0.0	0.0	-0.0605	-0.0605	5	0	0	22	0	4	2
C-D	-165.0328	-64.2155	-1141.64	-1370.8883	331	34	33	45014	7	51	57

Interface residues

• A-B: ALA103B, ALA114B, ALA117B, ALA193B, ALA213B, ALA223B, ALA230B, ALA236B, ALA261B, ALA306A, ALA338A, ALA356A, ALA368A, ALA384A, ALA404A, ALA489A, ALA491A, ALA51B, ALA65A, ALA66B, ALA67B, ALA79B, ALA84A, ALA92B, ARG171B, ARG187B, ARG234B, ARG35B, ARG408A, ARG476A, ARG481A, ARG482A, ARG82B, ARG87B, ARG93B, ASN125B, ASN163A, ASN170B, ASN494A, ASN532A, ASN87A, ASN88B, ASN91A, ASN96A, ASN97B, ASP169B, ASP188B, ASP214B, ASP229B, ASP271A, ASP407A, ASP412A, ASP485A, ASP58B, CYS252B, CYS256B, CYS64A, CYS88A, GLN126B, GLN127B, GLN142B, GLN165A, GLN228B, GLN237B, GLN251B, GLN265A, GLN276A, GLN344A, GLN345A, GLN37B, GLN403A, GLN44B, GLN477A, GLN53B, GLU101B, GLU128B, GLU182A, GLU189B, GLU254B, GLU376A, GLU488A, GLU533A, GLU54A, GLU66A, GLU85B, GLU86A, GLY116B, GLY162A, GLY162B, GLY164A, GLY168B, GLY169A, GLY171A, GLY212B, GLY225B, GLY233B, GLY250B, GLY257B, GLY270A, GLY312A, GLY339A, GLY360A, GLY372A, GLY373A, GLY386A, GLY394A, GLY395A, GLY398A, GLY39B, GLY40B, GLY42B, GLY475A, GLY478A, GLY59A, GLY59B, GLY92A, HIS217B, HIS260B, HIS277A, HIS334A, HIS411A, HIS472A, HIS534A, HIS55B, HIS84B, HIS93A, HIS96B, ILE102B, ILE106B, ILE109B, ILE111B, ILE115B, ILE129B, ILE170A, ILE216B, ILE258B, ILE265B, ILE302A, ILE310A, ILE355A, ILE361A, ILE363A, ILE367A, ILE375A, ILE399A, ILE484A, ILE54B, ILE61B, ILE64B, ILE65B, ILE68B, ILE70B, ILE76B, ILE99A, LEU100B, LEU112B, LEU120B, LEU123B, LEU174A, LEU178A, LEU191B, LEU192B, LEU238B, LEU255B, LEU274A, LEU314A, LEU340A, LEU342A, LEU377A, LEU382A, LEU385A, LEU388A, LEU390A, LEU401A, LEU474A, LEU57B, LEU62B, LEU68A, LEU74B, LEU75B, LEU77B, LEU94A, LYS227B, LYS307A, LYS308A, LYS362A, LYS378A, LYS454A, LYS86B, LYS89B, MET160B, MET172B, MET263B, MET316A, MET335A, MET349A, MET350A, MET353A, MET370A, MET381A, MET479A, MET63A, PHE118B, PHE124B, PHE190B, PHE224B, PHE249B, PHE264A, PHE305A, PHE311A, PHE348A, PHE364A, PHE387A, PHE389A, PHE391A, PHE43B, PHE461A, PHE469A, PHE473A, PHE490A, PHE60B, PHE71B, PHE83B, PHE94B, PRO108B, PRO121B, PRO164B, PRO174B, PRO176A, PRO177A, PRO222B, PRO232B, PRO264B, PRO266A, PRO272A, PRO309A, PRO315A, PRO358A, PRO36B, PRO38B, PRO45B, PRO470A, PRO480A, PRO487A, PRO58A, PRO90A, PRO91B, PRO99B, SER119B, SER168A, SER173B, SER179A, SER181A, SER218B, SER253B, SER259B, SER267A, SER341A, SER346A, SER365A, SER374A, SER402A, SER405A, SER46B, SER83A, SER98B, THR100A, THR105B, THR180A, THR220B, THR337A, THR343A, THR352A, THR369A, THR392A, THR397A, THR413A, THR41B, THR492A, THR69B, THR73B, THR89A, THR95B, TRP104B, TRP143B, TRP145B, TRP172A, TRP219B, TRP239B, TRP280A, TRP366A, TRP371A, TRP458A, TRP493A, TRP56B, TRP81B, TRP95A, TYR175A, TYR262B, TYR275A, TYR313A, TYR336A, TYR347A, TYR409A, TYR410A, TYR415A, TYR483A, TYR486A, TYR78B, VAL107B, VAL110B, VAL113B, VAL122B, VAL173A, VAL215B, VAL221B, VAL226B, VAL231B, VAL273A, VAL354A, VAL357A, VAL393A, VAL396A, VAL400A, VAL406A, VAL416A, VAL50B, VAL60A, VAL72B, VAL80B, VAL85A, VAL90B, VAL97A
• A-C: ASN87A, GLU533C, GLU69A, GLY312C, HIS534C, PHE311C
• A-D: ALA65A, ALA84A, ALA92D, ARG93D, ASN87A, ASN88D, ASN97D, CYS88A, GLN78A, GLU101D, GLU66A, GLU69A, GLU86A, GLY71A, HIS67A, HIS96D, LEU68A, LYS74A, PHE94D, PRO91D, PRO99D, SER70A, SER83A, SER98D, THR89A, THR95D, VAL85A, VAL90D
• B-C: ALA165B, ASP169B, GLN178B, GLN179B, GLU175B, GLU177B, GLU182B, GLY167B, GLY168B, GLY219C, HIS223C, LEU314C, LYS224C, MET220C, MET222C, PRO164B, PRO174B, PRO315C, SER163B, SER173B, THR166B, THR221C, TYR313C, TYR318C, VAL176B
• B-D: ARG171B, ARG93D, HIS96D, PHE94D, THR95D
• C-D: ALA103D, ALA114D, ALA117D, ALA193D, ALA213D, ALA223D, ALA230D, ALA236D, ALA261D, ALA306C, ALA338C, ALA356C, ALA368C, ALA384C, ALA404C, ALA489C, ALA491C, ALA51D, ALA65C, ALA66D, ALA67D, ALA79D, ALA84C, ALA92D, ARG171D, ARG187D, ARG234D, ARG35D, ARG408C, ARG476C, ARG481C, ARG482C, ARG82D, ARG87D, ARG93D, ASN125D, ASN163C, ASN170D, ASN494C, ASN532C, ASN87C, ASN88D, ASN91C, ASN96C, ASN97D, ASP169D, ASP188D, ASP214D, ASP229D, ASP271C, ASP407C, ASP412C, ASP485C, ASP536C, ASP58D, CYS252D, CYS256D, CYS64C, CYS88C, GLN126D, GLN127D, GLN142D, GLN165C, GLN228D, GLN237D, GLN251D, GLN265C, GLN276C, GLN344C, GLN345C, GLN37D, GLN403C, GLN44D, GLN477C, GLN53D, GLU101D, GLU128D, GLU182C, GLU189D, GLU254D, GLU376C, GLU488C, GLU533C, GLU66C, GLU85D, GLU86C, GLY116D, GLY162C, GLY164C, GLY168D, GLY169C, GLY171C, GLY212D, GLY225D, GLY233D, GLY250D, GLY257D, GLY270C, GLY312C, GLY339C, GLY360C, GLY372C, GLY373C, GLY386C, GLY394C, GLY395C, GLY398C, GLY39D, GLY40D, GLY42D, GLY475C, GLY478C, GLY59C, GLY59D, GLY92C, HIS217D, HIS260D, HIS277C, HIS334C, HIS411C, HIS472C, HIS534C, HIS55D, HIS84D, HIS93C, HIS96D, ILE102D, ILE106D, ILE109D, ILE111D, ILE115D, ILE129D, ILE170C, ILE216D, ILE258D, ILE265D, ILE302C, ILE310C, ILE355C, ILE361C, ILE363C, ILE367C, ILE375C, ILE399C, ILE484C, ILE54D, ILE61D, ILE64D, ILE65D, ILE68D, ILE70D, ILE76D, ILE99C, LEU100D, LEU112D, LEU120D, LEU123D, LEU174C, LEU178C, LEU191D, LEU192D, LEU238D, LEU255D, LEU274C, LEU314C, LEU340C, LEU342C, LEU377C, LEU382C, LEU385C, LEU388C, LEU390C, LEU401C, LEU474C, LEU57D, LEU62D, LEU68C, LEU74D, LEU75D, LEU77D, LEU94C, LYS227D, LYS307C, LYS308C, LYS362C, LYS378C, LYS454C, LYS86D, LYS89D, MET160D, MET172D, MET263D, MET316C, MET335C, MET349C, MET350C, MET353C, MET370C, MET381C, MET479C, MET63C, PHE118D, PHE124D, PHE190D, PHE224D, PHE249D, PHE264C, PHE305C, PHE311C, PHE348C, PHE364C, PHE387C, PHE389C, PHE391C, PHE43D, PHE461C, PHE469C, PHE473C, PHE490C, PHE60D, PHE71D, PHE83D, PHE94D, PRO108D, PRO121D, PRO164D, PRO174D, PRO176C, PRO177C, PRO222D, PRO232D, PRO264D, PRO266C, PRO272C, PRO309C, PRO315C, PRO358C, PRO36D, PRO38D, PRO45D, PRO470C, PRO480C, PRO487C, PRO58C, PRO90C, PRO91D, PRO99D, SER119D, SER168C, SER173D, SER179C, SER181C, SER218D, SER253D, SER259D, SER267C, SER341C, SER346C, SER365C, SER374C, SER402C, SER405C, SER46D, SER83C, SER98D, THR100C, THR105D, THR180C, THR220D, THR337C, THR343C, THR352C, THR369C, THR392C, THR397C, THR413C, THR41D, THR492C, THR69D, THR73D, THR89C, THR95D, TRP104D, TRP143D, TRP172C, TRP219D, TRP239D, TRP280C, TRP366C, TRP371C, TRP458C, TRP493C, TRP56D, TRP81D, TRP95C, TYR175C, TYR262D, TYR275C, TYR313C, TYR336C, TYR347C, TYR409C, TYR410C, TYR415C, TYR483C, TYR486C, TYR78D, VAL107D, VAL110D, VAL113D, VAL122D, VAL173C, VAL215D, VAL221D, VAL226D, VAL231D, VAL273C, VAL354C, VAL357C, VAL393C, VAL396C, VAL400C, VAL406C, VAL416C, VAL50D, VAL60C, VAL72D, VAL80D, VAL85C, VAL90D, VAL97C