3NN2

structure of chlorite dismutase from candidatus nitrospira defluvii in complex with cyanide

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 145
  • Norm. En. per Res.: -3.5727
• 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-C	-70.9705	-41.0703	-387.395	-499.4358	142	11	5	14387	4	61	63
A-E	-67.7951	-42.3352	-407.906	-518.0363	145	14	5	14888	4	63	65
B-C	-67.6186	-55.3742	-370.163	-493.1559	139	17	5	14309	3	61	62
B-D	-69.816	-29.6332	-367.561	-467.0102	149	20	5	14385	4	61	66
D-E	-57.9986	-25.0882	-396.514	-479.6009	150	17	5	15192	2	59	62

Interface residues

• A-C: ALA143A, ALA147A, ALA17A, ALA204C, ALA65C, ALA85A, ARG131C, ARG153A, ARG194C, ARG203C, ARG212C, ARG215A, ARG215C, ARG216A, ARG216C, ARG33C, ARG59C, ARG74A, ARG90A, ARG93A, ASN200C, ASN214C, ASP142A, ASP149A, ASP182A, ASP183A, ASP185A, ASP197C, ASP22A, ASP22C, ASP24A, ASP24C, ASP27C, ASP63C, ASP66C, ASP78A, GLN150A, GLN206C, GLN207C, GLN20A, GLN20C, GLN238C, GLN80A, GLN81A, GLU144A, GLU193C, GLU196C, GLY103A, GLY11A, GLY180A, GLY218C, GLY224C, GLY60C, GLY88A, GLY92A, GLY98A, GLY99A, HIS102A, HIS177A, HIS199C, HIS213C, HIS219C, HIS23C, HIS64C, HIS94A, ILE135C, ILE137C, ILE232C, LEU100A, LEU101A, LEU148A, LEU181A, LEU195C, LEU201C, LEU205C, LEU222C, LEU223C, LEU28A, LEU28C, LEU57C, LEU58C, LEU61C, LEU67C, LEU76A, LEU83A, LEU95A, LYS106A, LYS107A, LYS140A, LYS141A, LYS209C, LYS235C, MET21A, MET21C, MET226C, MET87A, PHE16A, PHE186A, PHE198C, PHE19A, PHE211C, PHE217C, PHE236C, PHE82A, PHE86A, PRO138C, PRO220C, SER105A, SER10A, SER178A, SER227C, SER62C, SER77A, SER84A, SER97A, THR109A, THR15A, THR179A, THR18A, THR192C, THR221C, THR225C, THR75A, THR79A, THR89A, THR96A, TRP145A, TRP146A, TRP25C, TRP26C, TYR110A, TYR133C, TYR13A, TYR167C, TYR176A, TYR56C, VAL104A, VAL12A, VAL136C, VAL184A, VAL202C, VAL208C
• A-E: ALA143E, ALA147E, ALA17E, ALA204A, ALA237A, ALA65A, ALA85E, ARG131A, ARG153E, ARG194A, ARG203A, ARG212A, ARG215A, ARG215E, ARG216A, ARG216E, ARG33A, ARG59A, ARG74E, ARG90E, ARG93E, ASN200A, ASN214A, ASP142E, ASP149E, ASP182E, ASP183E, ASP185E, ASP197A, ASP22A, ASP22E, ASP24A, ASP24E, ASP27A, ASP63A, ASP66A, ASP78E, GLN150E, GLN206A, GLN207A, GLN20A, GLN20E, GLN238A, GLN80E, GLN81E, GLU144E, GLU193A, GLU196A, GLU231A, GLY103E, GLY11E, GLY180E, GLY218A, GLY224A, GLY30A, GLY60A, GLY88E, GLY92E, GLY98E, GLY99E, HIS102E, HIS177E, HIS199A, HIS213A, HIS219A, HIS23A, HIS23E, HIS64A, HIS94E, ILE135A, ILE137A, ILE232A, LEU100E, LEU101E, LEU148E, LEU181E, LEU195A, LEU201A, LEU205A, LEU222A, LEU223A, LEU28A, LEU28E, LEU57A, LEU58A, LEU61A, LEU67A, LEU76E, LEU83E, LEU95E, LYS106E, LYS107E, LYS140E, LYS141E, LYS209A, LYS235A, MET21E, MET226A, MET87E, PHE16E, PHE186E, PHE198A, PHE19E, PHE211A, PHE217A, PHE236A, PHE82E, PHE86E, PRO138A, PRO220A, PRO220E, SER105E, SER10E, SER178E, SER227A, SER62A, SER77E, SER84E, SER97E, THR109E, THR15E, THR179E, THR18E, THR192A, THR221A, THR225A, THR75E, THR79E, THR89E, THR96E, TRP145E, TRP146E, TRP25A, TRP26A, TYR110E, TYR133A, TYR13E, TYR176E, TYR56A, VAL104E, VAL12E, VAL136A, VAL184E, VAL202A, VAL208A
• B-C: ALA143C, ALA147C, ALA17C, ALA204B, ALA65B, ALA85C, ARG131B, ARG153C, ARG194B, ARG203B, ARG212B, ARG215B, ARG215C, ARG216B, ARG216C, ARG33B, ARG59B, ARG74C, ARG90C, ARG93C, ASN200B, ASN214B, ASP142C, ASP149C, ASP182C, ASP183C, ASP185C, ASP197B, ASP22B, ASP22C, ASP24B, ASP24C, ASP27B, ASP63B, ASP66B, ASP78C, GLN150C, GLN206B, GLN207B, GLN20B, GLN20C, GLN238B, GLN80C, GLN81C, GLU144C, GLU193B, GLU196B, GLY103C, GLY11C, GLY180C, GLY218B, GLY224B, GLY60B, GLY88C, GLY92C, GLY98C, GLY99C, HIS102C, HIS177C, HIS199B, HIS213B, HIS219B, HIS23B, HIS64B, HIS94C, ILE135B, ILE137B, ILE232B, LEU100C, LEU101C, LEU148C, LEU181C, LEU195B, LEU201B, LEU205B, LEU222B, LEU223B, LEU28B, LEU57B, LEU58B, LEU61B, LEU67B, LEU76C, LEU83C, LEU95C, LYS106C, LYS107C, LYS140C, LYS141C, LYS209B, LYS235B, MET21B, MET21C, MET226B, MET87C, PHE186C, PHE198B, PHE19C, PHE211B, PHE217B, PHE236B, PHE82C, PHE86C, PRO138B, PRO220B, SER105C, SER10C, SER178C, SER62B, SER77C, SER84C, SER97C, THR109C, THR15C, THR179C, THR18C, THR192B, THR221B, THR225B, THR75C, THR79C, THR89C, THR96C, TRP145C, TRP146C, TRP25B, TRP26B, TRP47C, TYR110C, TYR133B, TYR13C, TYR176C, TYR56B, VAL104C, VAL12C, VAL136B, VAL184C, VAL202B, VAL208B
• B-D: ALA143B, ALA147B, ALA17B, ALA204D, ALA65D, ALA85B, ARG131D, ARG153B, ARG194D, ARG203D, ARG212D, ARG215B, ARG215D, ARG216B, ARG216D, ARG33D, ARG3D, ARG59D, ARG74B, ARG90B, ARG93B, ASN200D, ASN214D, ASP142B, ASP149B, ASP182B, ASP183B, ASP185B, ASP197D, ASP22B, ASP22D, ASP24B, ASP24D, ASP27D, ASP63D, ASP66D, ASP78B, GLN150B, GLN206D, GLN207D, GLN20B, GLN20D, GLN238D, GLN80B, GLN81B, GLU144B, GLU193D, GLU196D, GLY103B, GLY11B, GLY129D, GLY180B, GLY218D, GLY224D, GLY60D, GLY88B, GLY92B, GLY98B, GLY99B, HIS102B, HIS177B, HIS199D, HIS213D, HIS219B, HIS219D, HIS23D, HIS64D, HIS94B, ILE135D, ILE137D, ILE232D, LEU100B, LEU101B, LEU148B, LEU181B, LEU195D, LEU201D, LEU205D, LEU222D, LEU223D, LEU28B, LEU57D, LEU58D, LEU61D, LEU67D, LEU76B, LEU83B, LEU91B, LEU95B, LYS106B, LYS107B, LYS140B, LYS141B, LYS209D, LYS235D, MET21B, MET226D, MET87B, PHE16B, PHE186B, PHE190D, PHE198D, PHE19B, PHE211D, PHE217D, PHE236D, PHE2B, PHE82B, PHE86B, PRO132D, PRO138D, PRO220D, PRO228D, SER105B, SER10B, SER128D, SER130D, SER178B, SER227D, SER62D, SER77B, SER84B, SER97B, THR109B, THR15B, THR179B, THR18B, THR192D, THR221D, THR225D, THR75B, THR79B, THR89B, THR96B, TRP145B, TRP146B, TRP25D, TRP26D, TYR110B, TYR133D, TYR13B, TYR176B, TYR56D, VAL104B, VAL12B, VAL136D, VAL184B, VAL202D, VAL208D
• D-E: ALA112D, ALA143D, ALA147D, ALA17D, ALA204E, ALA237E, ALA65E, ALA85D, ARG131E, ARG153D, ARG194E, ARG203E, ARG212E, ARG215D, ARG215E, ARG216D, ARG216E, ARG33E, ARG59E, ARG74D, ARG90D, ARG93D, ASN200E, ASN214E, ASP142D, ASP149D, ASP182D, ASP183D, ASP185D, ASP197E, ASP22D, ASP22E, ASP24D, ASP24E, ASP27E, ASP63E, ASP66E, ASP78D, GLN150D, GLN206E, GLN207E, GLN20D, GLN20E, GLN238E, GLN80D, GLN81D, GLU144D, GLU193E, GLU196E, GLU231E, GLU234E, GLY103D, GLY11D, GLY180D, GLY218E, GLY224E, GLY30E, GLY60E, GLY88D, GLY92D, GLY98D, GLY99D, HIS102D, HIS177D, HIS199E, HIS213E, HIS219E, HIS23E, HIS64E, HIS94D, ILE135E, ILE137E, ILE232E, LEU100D, LEU101D, LEU148D, LEU181D, LEU195E, LEU201E, LEU205E, LEU222E, LEU223E, LEU28D, LEU28E, LEU57E, LEU58E, LEU61E, LEU67E, LEU76D, LEU83D, LEU95D, LYS106D, LYS107D, LYS140D, LYS141D, LYS209E, LYS235E, MET21D, MET226E, MET87D, PHE16D, PHE186D, PHE190E, PHE198E, PHE19D, PHE211E, PHE217E, PHE236E, PHE2E, PHE82D, PHE86D, PRO108D, PRO138E, PRO220E, PRO29E, SER105D, SER10D, SER178D, SER227E, SER62E, SER77D, SER84D, SER97D, THR109D, THR15D, THR179D, THR18D, THR192E, THR221E, THR225E, THR75D, THR79D, THR89D, THR96D, TRP145D, TRP146D, TRP25E, TRP26E, TRP47D, TYR110D, TYR133E, TYR13D, TYR176D, TYR56E, VAL104D, VAL12D, VAL136E, VAL184D, VAL202E, VAL208E