2FY8

crystal structure of mthk rck domain in its ligand-free gating-ring form

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 237
  • Norm. En. per Res.: -5.5782
• 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	-54.0882	-11.7538	-177.512	-243.3539	73	10	1	6840	6	40	45
A-C	-5.5393	5.4544	-25.5422	-25.6271	24	3	0	1316	4	19	17
A-E	0.0	-17.7974	-13.5679	-31.3653	34	0	0	1158	0	14	15
B-C	-181.7577	-245.8541	-894.412	-1322.0238	237	49	32	38953	29	92	120
B-D	-4.7726	-4.032	-33.8796	-42.6842	26	7	0	1537	4	20	18
C-D	-46.1336	-4.2888	-184.157	-234.5794	72	9	1	7071	4	40	45
C-E	-16.151	-10.8464	-31.1746	-58.172	23	5	0	1638	1	13	9
E-F	-41.489	-17.0724	-168.306	-226.8673	71	15	1	7051	4	42	45
E-G	-2.4788	0.2959	-24.5542	-26.737	24	2	0	1336	4	20	20
F-G	-126.8077	-199.761	-912.587	-1239.1558	239	40	34	38221	27	96	124
F-H	0.0	0.0	-1.735	-1.735	12	0	0	214	0	15	8
G-H	-25.3977	-40.4774	-186.138	-252.0131	77	9	5	8156	3	40	42

Interface residues

• A-B: ALA223A, ALA223B, ARG166A, ARG166B, ARG199A, ARG199B, ARG213A, ARG213B, ASN216A, ASN216B, ASP163A, ASP163B, ASP169A, ASP169B, ASP188A, ASP188B, CYS194A, CYS194B, GLN219A, GLN219B, GLU144A, GLU144B, GLU171B, GLU190A, GLU190B, GLU212A, GLU212B, GLU215A, GLU215B, GLU218A, GLU218B, GLY197A, GLY197B, HIS193A, HIS193B, ILE192A, ILE192B, ILE195A, ILE195B, ILE198A, ILE198B, ILE201A, ILE201B, ILE217A, ILE217B, LEU170A, LEU170B, LEU185A, LEU185B, LEU196A, LEU196B, LEU220A, LEU220B, LYS200A, LYS200B, MET222A, MET222B, PRO164A, PRO164B, SER168A, SER168B, SER187A, SER187B, SER189A, SER189B, THR165A, THR165B, THR191A, THR191B, TYR214A, TYR214B, VAL167A, VAL167B
• A-C: ALA173A, ARG149A, ARG154C, ARG166A, ASN147C, ASP163A, ASP169A, GLU125C, GLU129C, GLU144A, GLU146A, GLY162A, HIS161A, LEU128C, LEU142A, LYS150C, LYS151C, LYS172A, PHE159A, SER124C, SER155C, SER168A, TRP123C, VAL160A
• A-E: ALA283E, ALA336E, ARG116A, ARG149A, ASN158A, ASN174A, ASN332E, ASP282E, ASP284E, ASP287E, GLU138A, GLU146A, GLU276E, GLY277E, HIS117A, HIS161A, ILE285E, LEU153A, LEU275E, LEU281E, LYS150A, LYS172A, LYS274E, PHE140A, PHE159A, SER137A, SER273E, SER279E, SER335E, TYR333E, VAL139A, VAL160A, VAL278E, VAL288E
• B-C: ALA180B, ALA180C, ALA209B, ALA209C, ALA211B, ALA211C, ALA249B, ALA249C, ALA257B, ALA257C, ARG116B, ARG116C, ARG132B, ARG132C, ARG135B, ARG135C, ARG179B, ARG179C, ARG206B, ARG206C, ARG213B, ARG213C, ARG221B, ARG221C, ARG237B, ARG237C, ARG241B, ARG241C, ARG262B, ARG262C, ARG263B, ARG263C, ARG298B, ARG298C, ARG308B, ARG308C, ASN184B, ASN184C, ASN216B, ASN216C, ASP188B, ASP188C, ASP226B, ASP226C, ASP244B, ASP244C, ASP245B, ASP245C, ASP254B, ASP254C, ASP284B, ASP284C, ASP287B, ASP287C, ASP300B, ASP300C, ASP305B, ASP305C, ASP316B, ASP316C, CYS130B, CYS130C, GLN227B, GLN227C, GLN253B, GLN253C, GLU125B, GLU125C, GLU129B, GLU129C, GLU133B, GLU133C, GLU138B, GLU210B, GLU210C, GLU212B, GLU212C, GLU215B, GLU215C, GLU218B, GLU218C, GLU248B, GLU248C, GLU258B, GLU258C, GLU259B, GLU259C, GLU266B, GLU266C, GLU301B, GLU301C, GLU326B, GLU326C, GLY236B, GLY236C, GLY246B, GLY246C, GLY290B, GLY290C, GLY295B, GLY295C, GLY297B, GLY297C, GLY299B, GLY299C, GLY315B, GLY315C, GLY320B, GLY320C, GLY322B, GLY322C, HIS117B, HIS117C, HIS286B, HIS286C, ILE120B, ILE120C, ILE182B, ILE182C, ILE207B, ILE207C, ILE208B, ILE208C, ILE217B, ILE217C, ILE229B, ILE229C, ILE234B, ILE234C, ILE243B, ILE243C, ILE292B, ILE292C, ILE293B, ILE293C, ILE294B, ILE294C, ILE303B, ILE303C, ILE304B, ILE304C, ILE317B, ILE317C, ILE318B, ILE318C, ILE321B, ILE321C, LEU128B, LEU128C, LEU131B, LEU131C, LEU134B, LEU134C, LEU220B, LEU238B, LEU238C, LEU256B, LEU256C, LEU281B, LEU302B, LEU302C, LEU319B, LEU319C, LYS151B, LYS151C, LYS323B, LYS323C, MET239B, MET239C, MET250B, MET250C, MET264B, MET264C, PHE232B, PHE232C, PHE251B, PHE251C, PRO231B, PRO231C, PRO268B, PRO268C, PRO306B, PRO306C, PRO307B, PRO307C, SER124B, SER124C, SER126B, SER126C, SER230B, SER230C, SER235B, SER235C, SER240B, SER240C, SER242B, SER242C, SER260B, SER260C, THR127B, THR127C, THR261B, THR261C, TYR214B, TYR214C, TYR247B, TYR247C, VAL118B, VAL118C, VAL119B, VAL119C, VAL139B, VAL139C, VAL181B, VAL181C, VAL183B, VAL183C, VAL228B, VAL228C, VAL233B, VAL233C, VAL252B, VAL252C, VAL255B, VAL255C, VAL265B, VAL265C, VAL267B, VAL267C, VAL280B, VAL280C, VAL288B, VAL288C, VAL291B, VAL291C, VAL296B, VAL296C
• B-D: ALA143D, ALA173D, ARG132B, ARG149D, ARG154B, ARG166D, ASN147B, ASP163D, ASP169D, GLU125B, GLU129B, GLU144D, GLU146D, GLY162D, HIS161D, LEU128B, LEU142D, LYS150B, LYS151B, LYS172D, PHE159D, SER124B, SER155B, SER168D, TRP123B, VAL160D
• C-D: ALA223C, ALA223D, ARG166C, ARG166D, ARG199C, ARG199D, ARG213C, ARG213D, ARG221D, ASN216C, ASN216D, ASP163C, ASP163D, ASP169C, ASP169D, ASP188C, ASP188D, CYS194C, CYS194D, GLN219C, GLN219D, GLU144C, GLU144D, GLU190C, GLU190D, GLU212C, GLU212D, GLU215C, GLU215D, GLU218C, GLU218D, GLY197C, GLY197D, GLY224D, HIS193C, HIS193D, ILE192C, ILE192D, ILE195C, ILE195D, ILE198D, ILE201D, ILE217C, ILE217D, LEU170C, LEU170D, LEU185C, LEU185D, LEU196C, LEU196D, LEU220C, LEU220D, LYS200C, LYS200D, MET222C, MET222D, PRO164C, PRO164D, SER168C, SER168D, SER187C, SER187D, SER189C, SER189D, THR165C, THR165D, THR191C, THR191D, TYR214C, TYR214D, VAL167C, VAL167D
• C-E: ALA157C, ALA283E, ARG149C, ARG154C, ARG308E, ASN158C, ASP282E, ASP284E, ASP309E, GLU146C, GLY277E, HIS161C, LEU153C, LEU281E, LYS150C, LYS172C, PHE159C, SER279E, SER311E, TYR310E, VAL160C, VAL278E, VAL280E
• E-F: ALA223E, ALA223F, ARG166E, ARG166F, ARG199E, ARG199F, ARG213E, ARG213F, ASN216E, ASN216F, ASP163E, ASP163F, ASP169E, ASP169F, ASP188E, ASP188F, CYS194E, CYS194F, GLN219E, GLN219F, GLU144E, GLU144F, GLU171E, GLU190E, GLU190F, GLU212E, GLU212F, GLU215E, GLU215F, GLU218E, GLU218F, GLY197E, GLY197F, HIS193E, HIS193F, ILE192E, ILE192F, ILE195E, ILE195F, ILE198E, ILE201E, ILE217E, ILE217F, LEU170E, LEU170F, LEU185E, LEU185F, LEU196E, LEU196F, LEU220E, LEU220F, LYS200E, LYS200F, MET222E, MET222F, PRO164E, PRO164F, SER168E, SER168F, SER187E, SER187F, SER189E, SER189F, THR165E, THR165F, THR191E, THR191F, TYR214E, TYR214F, VAL167E, VAL167F
• E-G: ARG132G, ARG149E, ARG154G, ARG166E, ASN147G, ASP163E, ASP169E, GLU125G, GLU129G, GLU144E, GLU146E, GLY162E, HIS161E, LEU128G, LEU142E, LYS150G, LYS151G, LYS172E, PHE159E, SER124G, SER168E, TRP123G, VAL160E, VAL167E
• F-G: ALA178F, ALA180F, ALA180G, ALA209F, ALA209G, ALA211F, ALA211G, ALA249F, ALA249G, ALA257F, ALA257G, ARG116F, ARG116G, ARG132F, ARG132G, ARG135F, ARG135G, ARG179F, ARG179G, ARG206F, ARG206G, ARG213F, ARG213G, ARG221F, ARG221G, ARG237F, ARG237G, ARG241F, ARG241G, ARG262F, ARG262G, ARG263F, ARG263G, ARG298F, ARG298G, ARG308F, ARG308G, ASN184F, ASN184G, ASN216F, ASN216G, ASP188F, ASP188G, ASP226F, ASP226G, ASP244F, ASP244G, ASP245F, ASP245G, ASP254F, ASP254G, ASP284G, ASP287F, ASP287G, ASP300F, ASP300G, ASP305F, ASP305G, ASP316F, ASP316G, CYS121F, CYS121G, CYS130F, CYS130G, GLN227F, GLN227G, GLN253F, GLN253G, GLU125F, GLU125G, GLU129F, GLU129G, GLU133F, GLU133G, GLU138F, GLU138G, GLU210F, GLU210G, GLU212F, GLU212G, GLU215F, GLU215G, GLU218F, GLU218G, GLU248F, GLU248G, GLU258F, GLU258G, GLU259F, GLU259G, GLU266F, GLU266G, GLU301F, GLU301G, GLU326F, GLU326G, GLY236F, GLY236G, GLY246F, GLY246G, GLY290F, GLY290G, GLY295F, GLY295G, GLY297F, GLY297G, GLY299F, GLY299G, GLY315F, GLY315G, GLY320F, GLY320G, GLY322F, GLY322G, HIS117F, HIS117G, HIS286F, HIS286G, ILE120F, ILE120G, ILE182F, ILE182G, ILE207F, ILE207G, ILE208F, ILE208G, ILE217F, ILE217G, ILE229F, ILE229G, ILE234F, ILE234G, ILE243F, ILE243G, ILE292F, ILE292G, ILE293F, ILE293G, ILE294F, ILE294G, ILE303F, ILE303G, ILE304F, ILE304G, ILE317F, ILE317G, ILE318F, ILE318G, ILE321F, ILE321G, ILE327G, LEU128F, LEU128G, LEU131F, LEU131G, LEU134F, LEU134G, LEU185G, LEU220F, LEU238F, LEU238G, LEU256F, LEU256G, LEU302F, LEU302G, LEU319F, LEU319G, LYS151F, LYS151G, LYS323F, LYS323G, MET239F, MET239G, MET250F, MET250G, MET264F, MET264G, PHE232F, PHE232G, PHE251F, PHE251G, PRO231F, PRO231G, PRO268F, PRO268G, PRO306F, PRO306G, PRO307F, PRO307G, SER124F, SER124G, SER126F, SER126G, SER230F, SER230G, SER235F, SER235G, SER240F, SER240G, SER242F, SER242G, SER260F, SER260G, THR127F, THR127G, THR261F, THR261G, TRP123F, TRP123G, TYR214F, TYR214G, TYR247F, TYR247G, VAL118F, VAL118G, VAL119F, VAL119G, VAL139F, VAL139G, VAL181F, VAL181G, VAL183F, VAL183G, VAL228F, VAL228G, VAL233F, VAL233G, VAL252F, VAL252G, VAL255F, VAL255G, VAL265F, VAL265G, VAL267F, VAL267G, VAL291F, VAL291G, VAL296F, VAL296G
• F-H: ARG132F, ARG149H, ARG154F, ARG166H, GLU144H, GLU146H, GLY162H, HIS161H, LEU128F, LYS150F, LYS151F, LYS172H
• G-H: ALA223G, ALA223H, ALA225H, ARG166G, ARG166H, ARG199G, ARG199H, ARG213G, ARG213H, ARG221G, ARG221H, ASN216G, ASN216H, ASP163G, ASP163H, ASP169G, ASP169H, ASP188G, ASP188H, ASP202G, CYS194G, CYS194H, GLN219G, GLN219H, GLU144G, GLU144H, GLU190G, GLU190H, GLU203H, GLU212G, GLU212H, GLU215G, GLU215H, GLU218G, GLU218H, GLY197G, GLY197H, GLY224G, GLY224H, HIS193G, HIS193H, ILE192G, ILE192H, ILE195G, ILE195H, ILE198G, ILE198H, ILE201G, ILE201H, ILE217G, ILE217H, LEU170G, LEU170H, LEU185G, LEU185H, LEU196G, LEU196H, LEU220G, LEU220H, LYS200G, LYS200H, MET222G, MET222H, SER168G, SER168H, SER187G, SER187H, SER189G, SER189H, THR165G, THR165H, THR191G, THR191H, TYR214G, TYR214H, VAL167G, VAL167H