3HB3

high resolution crystal structure of paracoccus denitrificans cytochrome c oxidase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 316
  • Norm. En. per Res.: -3.8454
• Hub Node: B(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	-123.6457	-56.6653	-1034.84	-1215.151	316	65	29	43207	4	40	52
B-C	-12.3958	-4.7548	-81.1201	-98.2706	51	8	1	3332	0	14	16
B-D	-14.0324	26.1731	-95.2887	-83.1479	53	4	0	3324	0	7	8
C-D	-31.4397	11.397	-283.75	-303.7927	92	12	9	10642	0	10	16

Interface residues

• A-B: ALA157B, ALA176B, ALA182B, ALA187B, ALA189B, ALA194B, ALA200B, ALA225B, ALA259A, ALA28B, ALA298A, ALA330A, ALA338A, ALA348A, ALA360A, ALA376A, ALA396A, ALA44B, ALA483A, ALA64B, ALA69B, ALA94B, ARG102B, ARG198B, ARG400A, ARG468A, ARG473A, ARG474A, ARG59B, ARG62B, ARG63B, ARG70B, ASN155A, ASN15B, ASN19B, ASN223B, ASN486A, ASN487A, ASN524A, ASN61B, ASN65B, ASN74B, ASN83A, ASN88A, ASP152B, ASP178B, ASP193B, ASP257A, ASP263A, ASP30B, ASP35B, ASP399A, ASP404A, ASP477A, CYS216B, CYS220B, CYS50B, CYS56B, GLN104B, GLN120B, GLN157A, GLN192B, GLN201B, GLN215B, GLN21B, GLN268A, GLN31B, GLN32B, GLN336A, GLN337A, GLN395A, GLN469A, GLN63A, GLU105B, GLU151B, GLU153B, GLU174A, GLU218B, GLU368A, GLU481A, GLU525A, GLU78B, GLY154A, GLY161A, GLY163A, GLY16B, GLY17B, GLY197B, GLY214B, GLY221B, GLY261A, GLY262A, GLY304A, GLY331A, GLY352A, GLY364A, GLY365A, GLY378A, GLY386A, GLY387A, GLY390A, GLY467A, GLY470A, GLY61A, GLY84A, GLY93B, HIS181B, HIS224B, HIS269A, HIS326A, HIS36B, HIS403A, HIS464A, HIS526A, HIS73B, HIS85A, ILE180B, ILE185B, ILE199B, ILE222B, ILE294A, ILE302A, ILE347A, ILE353A, ILE359A, ILE367A, ILE41B, ILE42B, ILE476A, ILE47B, ILE488A, ILE55B, ILE57B, ILE77B, ILE80B, ILE88B, ILE91A, ILE92B, ILE99B, LEU100B, LEU155B, LEU156B, LEU166A, LEU170A, LEU202B, LEU219B, LEU266A, LEU27B, LEU306A, LEU334A, LEU342A, LEU34B, LEU374A, LEU380A, LEU382A, LEU393A, LEU398A, LEU39B, LEU466A, LEU51B, LEU52B, LEU53B, LEU54B, LEU67A, LEU83B, LEU86A, LEU87B, LEU89B, LEU97B, LYS12B, LYS141B, LYS191B, LYS299A, LYS300A, LYS354A, MET106B, MET138B, MET18B, MET227B, MET308A, MET327A, MET332A, MET341A, MET345A, MET362A, MET373A, MET471A, MET65A, PHE101B, PHE188B, PHE20B, PHE213B, PHE256A, PHE297A, PHE303A, PHE356A, PHE369A, PHE377A, PHE379A, PHE37B, PHE381A, PHE383A, PHE461A, PHE465A, PHE482A, PHE48B, PHE60B, PHE71B, PHE95B, PRO13B, PRO168A, PRO169A, PRO186B, PRO196B, PRO228B, PRO22B, PRO258A, PRO264A, PRO301A, PRO307A, PRO350A, PRO397A, PRO462A, PRO472A, PRO479A, PRO60A, PRO66B, PRO68B, PRO76B, PRO82A, PRO85B, PRO98B, SER103B, SER150B, SER160A, SER171A, SER217B, SER333A, SER357A, SER366A, SER394A, SER96B, THR172A, THR173A, THR177B, THR184B, THR329A, THR335A, THR344A, THR346A, THR351A, THR361A, THR384A, THR389A, THR405A, THR43B, THR46B, THR72B, THR75B, THR81A, THR82B, THR92A, TRP121B, TRP123B, TRP164A, TRP183B, TRP203B, TRP33B, TRP358A, TRP363A, TRP450A, TRP485A, TRP523A, TRP81B, TRP87A, TYR154B, TYR167A, TYR226B, TYR267A, TYR305A, TYR328A, TYR339A, TYR402A, TYR407A, TYR40B, TYR475A, TYR478A, TYR484A, VAL14B, VAL162A, VAL165A, VAL174B, VAL179B, VAL190B, VAL195B, VAL265A, VAL349A, VAL355A, VAL385A, VAL388A, VAL38B, VAL391A, VAL392A, VAL401A, VAL408A, VAL45B, VAL480A, VAL49B, VAL58B, VAL62A, VAL67B, VAL79B, VAL84B, VAL86B, VAL89A, VAL90B
• B-C: ALA104C, ALA28B, ARG57C, ARG98C, ASN108B, ASN52C, ASN53C, ASP106C, ASP109B, ASP111B, ASP207B, GLN208B, GLN236B, GLU100C, GLU1C, GLU209B, GLU237B, GLU240B, GLY167B, GLY26C, HIS29B, HIS99C, LEU27B, LYS168B, LYS169B, LYS238B, PHE204B, PHE27C, PHE29C, PRO165B, PRO26B, SER205B, SER235B, SER24B, SER25B, SER30C, SER31C, THR28C, THR33C, TRP203B, TYR101C, TYR102C, TYR103C, TYR107C, TYR239B, TYR32C, TYR59C, VAL166B, VAL206B, VAL234B, VAL2C
• B-D: ALA233B, ALA23B, ALA28B, ARG102B, ASN28D, ASN50D, ASP207B, ASP30B, GLN208B, GLN31B, GLN32B, GLU209B, GLU237B, GLU56D, GLY167B, GLY210B, GLY55D, GLY68D, GLY93D, HIS29B, HIS91D, ILE10B, ILE29D, ILE99B, LEU27B, LEU34B, LEU54D, LYS168B, LYS169B, LYS238B, LYS52D, PRO22B, PRO26B, PRO8B, PRO95D, SER205B, SER235B, SER24B, SER25B, SER31D, SER67D, THR53D, THR94D, TRP203B, TRP33B, TYR212B, TYR30D, TYR32D, TYR49D, TYR92D, VAL166B, VAL206B, VAL234B
• C-D: ALA104C, ALA34D, ALA49C, ALA51D, ARG38C, ARG44C, ARG57C, ARG98C, ASN50D, ASN52C, ASP106C, ASP1D, ASP62C, CYS88D, CYS96C, GLN110C, GLN38D, GLN39C, GLN40D, GLN45D, GLN6D, GLN89D, GLU100C, GLU42C, GLU46C, GLU56D, GLU6C, GLY100D, GLY101D, GLY102D, GLY109C, GLY111C, GLY41D, GLY55D, GLY93D, HIS90D, HIS91D, HIS99C, ILE51C, LEU33D, LEU45C, LEU47D, LEU54D, LEU97D, LYS104D, LYS39D, LYS42D, LYS43C, LYS65C, MET105C, MET93C, PHE46D, PHE99D, PRO44D, PRO61C, PRO95D, PRO96D, SER31D, SER35C, SER43D, SER50C, SER85D, THR33C, THR53D, THR58C, THR63C, THR94D, THR98D, TRP108C, TRP35D, TRP36C, TRP47C, TYR101C, TYR102C, TYR103C, TYR107C, TYR32D, TYR36D, TYR49D, TYR59C, TYR60C, TYR86D, TYR87D, TYR92D, TYR94C, TYR95C, VAL37C, VAL48C, VAL48D, VAL64C, VAL97C, VAL9D