3L4B

crystal structure of an octomeric two-subunit trka k+ channel ring gating assembly, tm1088a:tm1088b, from thermotoga maritima

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 12
  • Norm. En. per Res.: -5.6077
• Hub Node: A(4)

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	-19.6765	4.4168	-190.697	-205.9568	72	6	5	8033	3	34	42
A-D	-3.95	-14.8354	-19.5993	-38.3846	15	1	0	677	0	20	10
A-F	0.0	-9.4044	-123.266	-132.6704	87	5	15	6684	0	25	18
A-H	0.0	0.0	-0.0057	-0.0057	2	0	0	5	0	3	2
B-C	0.0	-6.5382	-21.9132	-28.4514	17	1	0	723	0	20	11
B-D	-34.347	25.7184	-215.427	-224.0556	77	10	6	8534	3	36	43
B-E	-5.365	-10.2523	-132.607	-148.2243	85	6	16	7184	0	26	18
B-G	0.0	-5.2473	-0.862	-6.1092	9	0	0	159	0	8	11
C-D	-15.5699	-117.2033	-382.7	-515.4732	202	19	44	19168	10	35	18
C-F	0.0	0.0	-0.397	-0.397	8	0	0	78	0	8	11
C-G	0.0	-10.268	-6.6383	-16.9063	10	0	0	340	0	16	19
D-H	-21.5097	-18.3616	-27.4216	-67.2929	12	4	0	727	11	14	9
E-G	-13.1444	46.8436	-198.07	-164.3708	70	10	5	7713	0	32	43
E-H	-4.4186	-15.2636	-23.6039	-43.2861	15	1	0	708	0	18	9
F-G	0.0	-23.7414	-21.8286	-45.5699	17	1	0	780	0	21	12
F-H	-12.8926	8.141	-176.828	-181.5796	70	4	5	7458	3	35	41
G-H	-4.3361	-107.8526	-302.763	-414.9517	194	13	46	15312	9	34	17

Interface residues

• A-C: ALA59A, ALA60A, ALA83C, ALA93A, ARG75C, ARG94A, ASN100C, ASN104C, ASN118A, ASN79C, ASN86A, ASN92A, ASN98A, ASP101C, ASP108A, ASP51C, ASP58A, ASP76C, ASP82A, ASP83A, ASP89C, GLN84C, GLU106C, GLU110A, GLU117A, GLU56C, GLU61A, GLU63A, GLU77C, GLY103C, HIS54C, ILE107C, ILE112A, ILE114A, ILE82C, ILE89A, LEU65A, LEU80C, LEU85C, LYS109C, LYS110C, LYS111A, LYS113A, LYS38A, LYS55C, LYS66A, LYS88C, MET105C, MET111C, MET87C, MET91A, MET96A, PHE108C, PHE115A, PHE62A, PHE81C, PHE87A, PHE88A, PHE90C, PHE97A, PRO102C, SER53C, SER84A, SER90A, THR64A, THR80A, THR85A, TYR95A, VAL106A, VAL78C, VAL86C, VAL99C
• A-D: ALA60A, ARG17D, ASN39A, ASP58A, GLU61A, GLU63A, GLY57A, LYS38A, LYS41D, LYS42D, PHE62A, THR64A, TYR13D, TYR14D, VAL56A
• A-F: ALA104A, ALA126A, ALA126F, ALA23A, ALA26A, ALA26F, ARG105A, ARG105F, ARG17A, ARG17F, ARG45A, ARG45F, ASN101F, ASN24A, ASN81A, ASN81F, ASN86A, ASP108A, ASP108F, ASP83A, CYS124A, CYS124F, GLU110A, GLU110F, GLU131A, GLU131F, GLU135A, GLU135F, GLY16F, GLY19A, GLY19F, HIS31A, HIS31F, ILE103A, ILE103F, ILE10F, ILE123A, ILE123F, ILE12A, ILE12F, ILE130A, ILE130F, ILE137A, ILE22A, ILE22F, LEU128A, LEU128F, LEU18A, LEU18F, LEU21A, LEU21F, LEU25A, LEU25F, LYS111A, LYS121F, LYS132A, LYS132F, LYS134A, LYS134F, LYS8F, MET129A, MET129F, MET75A, MET75F, PHE136A, PHE77A, PHE77F, PHE79A, PHE79F, PRO109A, PRO109F, PRO125A, PRO125F, SER20A, SER20F, SER29A, SER29F, THR122A, THR122F, THR80F, TYR107A, TYR107F, VAL106A, VAL127A, VAL127F, VAL133A, VAL133F
• A-H: ARG45A, GLU56H
• B-C: ALA60B, ARG17C, ASP58B, GLU38C, GLU61B, GLU63B, GLY57B, LYS38B, LYS41C, LYS42C, LYS66B, PHE62B, PHE88B, THR64B, TYR13C, TYR14C, VAL56B
• B-D: ALA59B, ALA60B, ALA83D, ALA93B, ARG59D, ARG75D, ARG94B, ASN100D, ASN104D, ASN118B, ASN79D, ASN81B, ASN86B, ASN92B, ASN98B, ASP101D, ASP108B, ASP51D, ASP58B, ASP76D, ASP82B, ASP83B, ASP89D, GLN84D, GLU106D, GLU110B, GLU117B, GLU56D, GLU61B, GLU63B, GLU77D, GLY103D, GLY52D, HIS54D, ILE107D, ILE112B, ILE114B, ILE82D, ILE89B, LEU65B, LEU80D, LEU85D, LYS109D, LYS110D, LYS111B, LYS113B, LYS31D, LYS38B, LYS55D, LYS66B, LYS88D, MET105D, MET111D, MET87D, MET91B, MET96B, PHE108D, PHE115B, PHE62B, PHE81D, PHE87B, PHE88B, PHE90D, PHE97B, PRO102D, PRO74D, SER53D, SER84B, SER90B, THR64B, THR80B, THR85B, TYR95B, VAL106B, VAL78D, VAL86D, VAL99D
• B-E: ALA126B, ALA126E, ALA23B, ALA23E, ALA26B, ALA26E, ARG105B, ARG105E, ARG17B, ARG17E, ARG45B, ASN101B, ASN24E, ASN81B, ASN81E, ASN86E, ASP108B, ASP108E, ASP74B, ASP83E, CYS124B, CYS124E, GLU110B, GLU110E, GLU131B, GLU131E, GLU135B, GLU135E, GLY16B, GLY19B, GLY19E, HIS31B, ILE103B, ILE103E, ILE10B, ILE123B, ILE123E, ILE12B, ILE130B, ILE130E, ILE137E, ILE138E, ILE22B, ILE22E, LEU128B, LEU128E, LEU18B, LEU18E, LEU21B, LEU21E, LEU25B, LEU25E, LYS111E, LYS121B, LYS132B, LYS132E, LYS134B, LYS134E, LYS8B, MET129B, MET129E, MET75B, PHE136E, PHE77B, PHE77E, PHE79B, PHE79E, PRO109B, PRO109E, PRO125B, PRO125E, SER20B, SER20E, SER29B, THR122B, THR122E, THR80B, THR80E, TYR107B, TYR107E, VAL106E, VAL127B, VAL127E, VAL133B, VAL133E
• B-G: ARG17B, ARG45B, ARG59G, ASP60G, GLU56G, HIS44B, HIS54G, ILE57G, TYR41B
• C-D: ALA129C, ALA129D, ALA12C, ALA12D, ALA16C, ALA16D, ALA176C, ALA176D, ALA177C, ALA177D, ARG171C, ARG171D, ARG17C, ARG17D, ARG180C, ARG180D, ARG22C, ARG22D, ARG75C, ARG75D, ARG94C, ARG94D, ASN100C, ASN100D, ASN104C, ASN104D, ASN118C, ASN118D, ASN125C, ASN125D, ASN152C, ASN66C, ASN66D, ASP101C, ASP101D, ASP172C, ASP172D, ASP67C, ASP67D, ASP76C, ASP76D, GLN144C, GLN144D, GLU128C, GLU128D, GLU143C, GLU143D, GLU147D, GLU77C, GLU9C, GLU9D, GLY103C, GLY103D, GLY112D, GLY145C, GLY145D, GLY181C, GLY181D, GLY182C, GLY182D, GLY25C, GLY8C, GLY8D, ILE113D, ILE123C, ILE123D, ILE131C, ILE131D, ILE139C, ILE139D, ILE140C, ILE140D, ILE146C, ILE146D, ILE174C, ILE174D, ILE175C, ILE175D, ILE178C, ILE178D, ILE202C, ILE202D, ILE5C, ILE5D, ILE71C, ILE71D, LEU117C, LEU117D, LEU119C, LEU119D, LEU122C, LEU122D, LEU130C, LEU130D, LEU142C, LEU142D, LEU15C, LEU15D, LEU169C, LEU184C, LEU184D, LEU20C, LEU20D, LEU72C, LEU72D, LEU98C, LEU98D, LYS198C, LYS198D, LYS23C, LYS2C, LYS93C, LYS93D, MET19C, MET19D, MET1C, MET1D, PHE132C, PHE132D, PHE148C, PHE148D, PRO102C, PRO102D, PRO133C, PRO133D, PRO141C, PRO141D, PRO170C, PRO170D, PRO187C, PRO187D, PRO74C, PRO74D, SER138C, SER150C, SER173C, SER173D, SER18C, SER18D, SER204C, SER204D, SER21C, SER21D, SER97C, SER97D, THR10C, THR10D, THR114C, THR114D, THR115C, THR115D, THR11C, THR11D, THR120C, THR120D, THR121C, THR121D, THR124C, THR124D, THR126C, THR126D, THR73C, THR73D, TYR13C, TYR13D, TYR14C, TYR14D, TYR200C, TYR200D, TYR24C, TYR24D, VAL116C, VAL116D, VAL127C, VAL127D, VAL179C, VAL179D, VAL183C, VAL183D, VAL185C, VAL185D, VAL186C, VAL186D, VAL201C, VAL201D, VAL203C, VAL203D, VAL3C, VAL3D, VAL68C, VAL68D, VAL69C, VAL69D, VAL70C, VAL70D, VAL92D, VAL95C, VAL95D, VAL96C, VAL96D, VAL99C, VAL99D
• C-F: ARG17F, ARG45F, ASP60C, GLU56C, HIS44F, HIS54C, ILE57C, TYR41F
• C-G: ARG33C, ARG33G, ASP32C, CYS36G, GLU34C, GLU34G, GLU37C, GLU37G, GLU38G, HIS49C
• D-H: ARG33D, ARG33H, ASP32D, CYS36D, GLU34D, GLU34H, GLU37D, GLU37H, GLU38D, HIS49D, HIS49H, LEU35D
• E-G: ALA59E, ALA60E, ALA83G, ALA93E, ARG59G, ARG75G, ARG94E, ASN100G, ASN104G, ASN118E, ASN79G, ASN86E, ASN92E, ASP101G, ASP108E, ASP51G, ASP58E, ASP76G, ASP82E, ASP83E, ASP89G, GLN84G, GLU106G, GLU110E, GLU117E, GLU56G, GLU61E, GLU63E, GLU77G, GLY103G, HIS54G, ILE107G, ILE112E, ILE114E, ILE82G, ILE89E, LEU65E, LEU80G, LEU85G, LYS109G, LYS110G, LYS111E, LYS113E, LYS55G, LYS88G, MET105G, MET111G, MET87G, MET91E, MET96E, PHE108G, PHE115E, PHE62E, PHE81G, PHE87E, PHE88E, PHE90G, PHE97E, PRO102G, SER53G, SER84E, SER90E, THR64E, THR80E, THR85E, TYR95E, VAL106E, VAL78G, VAL86G, VAL99G
• E-H: ALA60E, ARG17H, ASN39E, ASP58E, GLU61E, GLU63E, GLY57E, LYS38E, LYS41H, LYS42H, PHE62E, THR10H, THR64E, TYR13H, TYR14H
• F-G: ALA60F, ARG17G, ASP58F, GLU38G, GLU61F, GLU63F, GLY57F, LYS38F, LYS41G, LYS42G, PHE62F, PHE88F, SER21G, THR64F, TYR13G, TYR14G, VAL56F
• F-H: ALA59F, ALA60F, ALA83H, ALA93F, ARG59H, ARG75H, ASN104H, ASN118F, ASN79H, ASN86F, ASN92F, ASP101H, ASP108F, ASP51H, ASP58F, ASP76H, ASP82F, ASP83F, ASP89H, GLN84H, GLU106H, GLU110F, GLU117F, GLU56H, GLU61F, GLU63F, GLU77H, GLY103H, GLY52H, HIS54H, ILE107H, ILE112F, ILE114F, ILE82H, ILE89F, LEU65F, LEU80H, LEU85H, LYS109H, LYS110H, LYS111F, LYS113F, LYS55H, LYS88H, MET105H, MET111H, MET87H, MET91F, MET96F, PHE108H, PHE115F, PHE62F, PHE81H, PHE87F, PHE88F, PHE90H, PHE97F, PRO102H, PRO74H, SER53H, SER84F, THR64F, THR80F, THR85F, TYR107F, TYR95F, VAL106F, VAL78H, VAL86H, VAL99H
• G-H: ALA129G, ALA129H, ALA12G, ALA12H, ALA16G, ALA16H, ALA176G, ALA176H, ALA177G, ALA177H, ARG171G, ARG171H, ARG17G, ARG17H, ARG180H, ARG188H, ARG22G, ARG22H, ARG75G, ARG75H, ARG94G, ARG94H, ASN100G, ASN100H, ASN104G, ASN104H, ASN118G, ASN118H, ASN125G, ASN125H, ASN66G, ASN66H, ASP101G, ASP101H, ASP172G, ASP172H, ASP67G, ASP76G, ASP76H, GLN144G, GLN144H, GLU128G, GLU128H, GLU143G, GLU143H, GLU147G, GLU147H, GLU77G, GLU9G, GLU9H, GLY103G, GLY103H, GLY145G, GLY145H, GLY181G, GLY181H, GLY182G, GLY182H, GLY8G, GLY8H, ILE123G, ILE123H, ILE131G, ILE131H, ILE139G, ILE139H, ILE140G, ILE140H, ILE146G, ILE146H, ILE174G, ILE174H, ILE175G, ILE175H, ILE178G, ILE178H, ILE202G, ILE202H, ILE5G, ILE5H, ILE71G, LEU117G, LEU117H, LEU119G, LEU119H, LEU122G, LEU122H, LEU130G, LEU130H, LEU142G, LEU142H, LEU15G, LEU15H, LEU184G, LEU184H, LEU72G, LEU72H, LEU98G, LEU98H, LYS198G, LYS198H, LYS2G, LYS93G, LYS93H, MET19G, MET19H, MET1G, MET1H, PHE132G, PHE132H, PHE148G, PHE148H, PRO102G, PRO102H, PRO133G, PRO133H, PRO141H, PRO170G, PRO170H, PRO187G, PRO187H, PRO74G, PRO74H, SER137G, SER137H, SER138G, SER138H, SER150H, SER173G, SER173H, SER18G, SER18H, SER204G, SER204H, SER21G, SER21H, SER97G, SER97H, THR10G, THR10H, THR114G, THR114H, THR115G, THR115H, THR11G, THR11H, THR120G, THR120H, THR121G, THR121H, THR124G, THR124H, THR126G, THR126H, THR73G, THR73H, TYR13G, TYR13H, TYR14G, TYR14H, TYR200G, TYR200H, TYR24G, TYR24H, VAL116G, VAL116H, VAL127G, VAL127H, VAL179G, VAL179H, VAL183G, VAL183H, VAL185G, VAL185H, VAL186G, VAL186H, VAL201G, VAL201H, VAL203G, VAL203H, VAL3G, VAL3H, VAL68G, VAL68H, VAL69G, VAL69H, VAL70G, VAL70H, VAL95G, VAL95H, VAL96G, VAL96H, VAL99G, VAL99H