3PJS

mechanism of activation gating in the full-length kcsa k+ channel

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: D-K
  • Int. Res.: 42
  • Norm. En. per Res.: -3.9295
• 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	0.0	24.9858	-391.395	-366.4092	190	49	17	18259	0	16	14
A-M	-6.3799	0.0	-35.5465	-41.9264	29	2	0	1421	0	0	0
A-N	0.0	25.1296	-33.9001	-8.7705	26	5	0	1467	0	7	7
B-L	0.0	0.0	-0.2132	-0.2132	8	0	0	52	0	0	2
B-M	-3.4469	-9.9392	-121.586	-134.9721	40	13	0	5125	0	5	5
B-N	0.0	0.0	-0.1187	-0.1187	10	0	0	40	0	0	0
C-D	0.0	30.8716	-379.405	-348.5334	193	53	16	18970	0	16	13
C-K	-15.0113	0.0	-33.0762	-48.0875	29	8	0	1627	0	2	1
C-L	0.0	31.0868	-40.5345	-9.4477	28	9	0	1798	0	8	8
D-K	-8.7083	-9.2177	-147.111	-165.037	42	4	0	5192	0	5	5
D-L	0.0	0.0	-0.0998	-0.0998	9	0	0	38	0	0	0
D-N	0.0	0.0	-0.1076	-0.1076	8	0	0	44	0	0	2
K-L	-41.8808	-69.2483	-326.511	-437.6401	158	80	9	14803	5	26	46
K-M	0.0	0.0	-14.2246	-14.2246	38	0	0	976	0	3	4
K-N	-22.9325	-56.7191	-314.003	-393.6546	139	48	5	12429	5	30	40
L-M	-21.3328	-68.9895	-284.047	-374.3694	132	55	5	12400	5	31	43
L-N	0.0	0.0	-8.5239	-8.5239	34	0	0	777	0	3	5
M-N	-41.233	-77.1106	-321.598	-439.9416	146	52	11	13425	8	25	43

Interface residues

• A-B: ALA110B, ALA132A, ALA136B, ALA147B, ALA148B, ALA179B, ALA32A, ALA34A, ALA40B, ALA43A, ALA49B, ALA51A, ALA61B, ALA96A, ALA97B, ARG38B, ARG98B, ASN139A, ASN140A, ASN212A, ASN30A, ASP112B, ASP124A, ASP155B, ASP169A, ASP172A, ASP1A, ASP1A5, ASP62B, CB6.56700103.30392, CYS136A, CYS151B, CYS88A, CYS96B, GLN102A, GLN116B, GLN126A, GLN162A, GLN168A, GLN182B, GLN38A, GLN39B, GLN89A, GLN90A, GLN99B, GLU125A, GLU163A, GLU167A, GLU46B, GLU55A, GLU6B, GLY101A, GLY103A, GLY115B, GLY117B, GLY150B, GLY173B, GLY185B, GLY41A, GLY42B, GLY44B, HIS175B, HIS35B, ILE119A, ILE48A, ILE51B, LEU111B, LEU127A, LEU135B, LEU137A, LEU138A, LEU149B, LEU152B, LEU177A, LEU181A, LEU181B, LEU183A, LEU186B, LEU189B, LEU45B, LEU46A, LEU47A, LEU54A, LYS128A, LYS154B, LYS171A, LYS209A, LYS220B, LYS42A, LYS43B, LYS45A, LYS65B, PHE100A, PHE118A, PHE120A, PHE133B, PHE141A, PHE177B, PHE211A, PHE53A, PHE71A, PRO100B, PRO121A, PRO122A, PRO134B, PRO137B, PRO178B, PRO40A, PRO44A, PRO97A, SER106B, SER116A, SER123A, SER129A, SER131B, SER133A, SER138B, SER139B, SER164A, SER170A, SER173A, SER176A, SER178A, SER179A, SER183B, SER184B, SER188B, SER190B, SER191B, SER210A, SER33B, SER50A, SER50B, SER52A, SER52B, SER56A, SER57B, SER93A, SER95A, THR131A, THR146B, THR166A, THR174A, THR176B, THR180A, THR182A, THR194B, THR31A, THR58B, THR85A, THR99A, TRP107B, TRP108B, TRP114B, TRP35A, TRP36B, TRP47B, TYR102B, TYR105B, TYR113B, TYR175A, TYR187B, TYR36A, TYR49A, TYR55B, TYR59B, TYR60B, TYR86A, TYR87A, TYR91A, TYR92A, TYR94A, TYR95B, VAL109B, VAL117A, VAL132B, VAL134A, VAL135A, VAL165A, VAL180B, VAL192B, VAL193B, VAL195B, VAL222B, VAL29A, VAL33A, VAL37B, VAL48B, VAL93B, VAL98A
• A-M: ALA143M, ALA32A, ALA96A, ARG147M, ARG150M, ARG153M, ARG160M, ARG66A, ASN158M, ASN30A, ASP157M, GLN27A, GLN90A, GLU146M, ILE2A, LEU144M, LEU151M, LEU155M, MET154M, PHE53A, PRO97A, SER50A, SER93A, SER95A, THR31A, TYR91A, TYR92A, TYR94A, VAL29A
• A-N: ARG153N, ARG159N, ARG160N, ARG66A, ASN158N, ASN30A, ASP149N, ASP156N, ASP157N, ASP28A, GLN27A, GLU152N, GLY68A, HIS145N, LEU144N, LEU151N, LEU155N, PHE148N, PHE53A, SER50A, SER52A, SER93A, THR31A, TYR92A, TYR94A, VAL29A
• B-L: ARG147L, ARG150L, HIS103B, MET104B, MET154L, TYR102B, TYR54B, TYR55B
• B-M: ALA143M, ARG139M, ARG142M, ARG147M, ARG150M, ARG153M, ARG159M, ARG160M, ASN158M, ASP149M, ASP156M, ASP157M, GLU146M, GLU152M, HIS103B, HIS145M, LEU144M, LEU151M, LEU155M, MET104B, MET154M, PHE148M, PRO100B, SER101B, SER106B, SER33B, SER52B, SER53B, SER56B, SER57B, THR138M, THR141M, THR58B, TRP107B, TRP108B, TYR102B, TYR105B, TYR54B, TYR55B, TYR59B
• B-N: ARG159N, ARG160N, ASP156N, GLU152N, HIS145N, SER57B, TRP108B, TYR102B, TYR105B, TYR59B
• C-D: ALA110D, ALA132C, ALA136D, ALA147D, ALA148D, ALA179D, ALA32C, ALA34C, ALA43C, ALA49D, ALA51C, ALA61D, ALA96C, ALA97D, ARG38D, ARG66C, ARG98D, ASN139C, ASN140C, ASN30C, ASP112D, ASP124C, ASP155D, ASP169C, ASP172C, ASP1C, ASP62D, CYS136C, CYS151D, CYS88C, CYS96D, GLN102C, GLN116D, GLN126C, GLN162C, GLN168C, GLN182D, GLN38C, GLN39D, GLN89C, GLN90C, GLN99D, GLU125C, GLU163C, GLU167C, GLU215C, GLU46D, GLU55C, GLU6D, GLY101C, GLY103C, GLY115D, GLY117D, GLY150D, GLY173D, GLY185D, GLY41C, GLY42D, GLY44D, HIS175D, HIS35D, ILE119C, ILE48C, ILE51D, LEU111D, LEU127C, LEU135D, LEU137C, LEU138C, LEU149D, LEU152D, LEU177C, LEU181C, LEU181D, LEU183C, LEU186D, LEU189D, LEU45D, LEU46C, LEU47C, LEU54C, LYS128C, LYS154D, LYS171C, LYS209C, LYS220D, LYS42C, LYS43D, LYS45C, LYS65D, PHE100C, PHE118C, PHE120C, PHE133D, PHE141C, PHE177D, PHE211C, PHE53C, PHE71C, PRO100D, PRO115C, PRO121C, PRO122C, PRO134D, PRO137D, PRO178D, PRO40C, PRO44C, PRO97C, SER101D, SER106D, SER116C, SER123C, SER129C, SER131D, SER133C, SER138D, SER139D, SER161C, SER164C, SER170C, SER172D, SER173C, SER176C, SER178C, SER179C, SER183D, SER184D, SER188D, SER190D, SER191D, SER210C, SER33D, SER50C, SER50D, SER52C, SER52D, SER56C, SER57D, SER93C, SER95C, THR131C, THR146D, THR166C, THR174C, THR176D, THR180C, THR182C, THR194D, THR31C, THR58D, THR85C, THR99C, TRP107D, TRP108D, TRP114D, TRP35C, TRP36D, TRP47D, TYR102D, TYR105D, TYR113D, TYR175C, TYR187D, TYR36C, TYR49C, TYR55D, TYR59D, TYR60D, TYR86C, TYR87C, TYR91C, TYR92C, TYR94C, TYR95D, VAL109D, VAL117C, VAL132D, VAL134C, VAL135C, VAL165C, VAL174D, VAL180D, VAL192D, VAL193D, VAL195D, VAL222D, VAL29C, VAL33C, VAL37D, VAL48D, VAL93D, VAL98C
• C-K: ALA143K, ALA32C, ALA96C, ARG142K, ARG147K, ARG150K, ARG153K, ARG159K, ARG160K, ARG66C, ASN158K, ASN30C, ASP157K, GLN90C, GLU146K, ILE2C, LEU144K, LEU151K, LEU155K, MET154K, PHE53C, PRO97C, SER50C, SER93C, SER95C, THR31C, TYR91C, TYR92C, TYR94C
• C-L: ARG153L, ARG159L, ARG160L, ARG66C, ASN158L, ASN30C, ASP149L, ASP156L, ASP157L, ASP28C, GLN27C, GLU152L, GLY68C, HIS145L, LEU144L, LEU151L, LEU155L, MET154L, PHE148L, SER50C, SER52C, SER67C, SER93C, THR31C, THR69C, TYR92C, TYR94C, VAL29C
• D-K: ALA143K, ARG139K, ARG142K, ARG147K, ARG150K, ARG153K, ARG159K, ARG160K, ASN158K, ASP149K, ASP156K, ASP157K, GLN99D, GLU146K, GLU152K, HIS103D, HIS145K, LEU144K, LEU151K, LEU155K, MET104D, MET154K, PHE148K, PRO100D, SER101D, SER106D, SER33D, SER52D, SER53D, SER56D, SER57D, THR138K, THR140K, THR58D, TRP107D, TRP108D, TYR102D, TYR105D, TYR54D, TYR55D, TYR59D, VAL109D
• D-L: ARG159L, ARG160L, ASP156L, GLU152L, HIS145L, SER57D, TRP108D, TYR102D, TYR59D
• D-N: ARG147N, ARG150N, HIS103D, MET104D, MET154N, TYR102D, TYR54D, TYR55D
• K-L: ALA108L, ALA109L, ALA111K, ALA111L, ALA132K, ALA133K, ALA133L, ALA136K, ALA143K, ALA23L, ALA28L, ALA29L, ALA32L, ALA47L, ALA65K, ALA73K, ALA73L, ALA92L, ALA98L, ARG127L, ARG139K, ARG142K, ARG142L, ARG147K, ARG147L, ARG150K, ARG150L, ARG153K, ARG153L, ARG159K, ARG159L, ARG160K, ARG160L, ARG27L, ARG64K, ARG89L, ASN158K, ASP149K, ASP149L, ASP156K, ASP156L, ASP157K, ASP80K, ASP80L, GLN117K, GLN119L, GLN121K, GLN122K, GLN122L, GLN123L, GLN25L, GLN58K, GLU118K, GLU130K, GLU130L, GLU134K, GLU134L, GLU135K, GLU146K, GLU146L, GLU152K, GLU152L, GLU51L, GLU71K, GLU71L, GLY104K, GLY104L, GLY43L, GLY77K, GLY77L, GLY79K, GLY79L, GLY88L, GLY99K, GLY99L, HIS145K, HIS145L, ILE100K, ILE100L, LEU105L, LEU110K, LEU144K, LEU144L, LEU151K, LEU151L, LEU155K, LEU155L, LEU24L, LEU36K, LEU40K, LEU59L, LEU66K, LEU81K, LEU81L, LEU86L, LEU90L, MET154K, MET154L, MET96L, PHE103K, PHE103L, PHE114K, PHE125K, PHE148K, PHE148L, PRO63K, PRO83L, SER102K, SER129K, SER129L, SER44K, SER69K, SER69L, THR101L, THR107K, THR107L, THR112L, THR138K, THR138L, THR140K, THR140L, THR141K, THR141L, THR33K, THR61K, THR72K, THR72L, THR74K, THR74L, THR75K, THR75L, THR85L, TRP67K, TRP67L, TRP68K, TRP68L, TRP87L, TYR137K, TYR137L, TYR62K, TYR78K, TYR78L, TYR82K, TYR82L, VAL106K, VAL115K, VAL115L, VAL126L, VAL70K, VAL70L, VAL76K, VAL76L, VAL84L, VAL91L, VAL93L, VAL94L, VAL95L, VAL97L
• K-M: ARG147K, ARG147M, ARG159K, ARG159M, ASN158K, ASN158M, GLU71M, GLY77K, GLY77M, GLY79K, GLY79M, ILE100K, LEU144K, LEU144M, LEU151K, LEU151M, LEU155K, LEU155M, PHE103M, PHE148K, PHE148M, THR107K, THR107M, THR140K, THR140M, THR141K, THR74K, THR74M, THR75K, THR75M, TYR137K, TYR137M, TYR78K, TYR78M, TYR82K, TYR82M, VAL76K, VAL76M
• K-N: ALA108K, ALA111N, ALA132N, ALA133N, ALA136N, ALA143N, ALA28K, ALA47K, ALA65N, ALA73K, ALA73N, ALA92K, ARG127K, ARG139N, ARG147K, ARG147N, ARG150K, ARG150N, ARG153K, ARG153N, ARG159K, ARG159N, ARG160K, ARG160N, ARG64N, ARG89K, ASN158K, ASN158N, ASP149K, ASP149N, ASP156K, ASP156N, ASP157K, ASP157N, ASP80K, ASP80N, GLN117N, GLN119K, GLN121N, GLN122K, GLN122N, GLN123K, GLN58N, GLU118N, GLU130K, GLU134K, GLU146K, GLU146N, GLU152K, GLU152N, GLU51K, GLU71K, GLU71N, GLY104K, GLY104N, GLY56K, GLY77K, GLY77N, GLY79K, GLY79N, GLY88K, GLY99K, GLY99N, HIS145K, HIS145N, ILE100K, ILE100N, LEU105K, LEU110N, LEU144K, LEU144N, LEU151K, LEU151N, LEU155K, LEU155N, LEU24K, LEU40N, LEU59K, LEU66N, LEU81K, LEU81N, LEU86K, LEU90K, MET154K, MET154N, MET96K, PHE103K, PHE103N, PHE114N, PHE125N, PHE148K, PHE148N, PRO55K, PRO63N, PRO83K, SER102N, SER129N, SER44N, SER69K, THR101K, THR107K, THR107N, THR138K, THR138N, THR140N, THR141K, THR141N, THR72K, THR72N, THR74K, THR74N, THR75K, THR75N, THR85K, TRP67K, TRP67N, TRP68K, TRP68N, TRP87K, TYR137K, TYR137N, TYR62N, TYR78K, TYR78N, TYR82K, TYR82N, VAL106N, VAL115K, VAL126K, VAL70K, VAL70N, VAL76K, VAL76N, VAL84K, VAL91K, VAL93K, VAL94K, VAL95K, VAL97K
• L-M: ALA108M, ALA132L, ALA133L, ALA136L, ALA143L, ALA47M, ALA65L, ALA73L, ALA73M, ALA92M, ALA98M, ARG127M, ARG139L, ARG147L, ARG147M, ARG150L, ARG150M, ARG153L, ARG153M, ARG159L, ARG159M, ARG160L, ARG160M, ARG64L, ARG89M, ASN158L, ASN158M, ASP149L, ASP149M, ASP156L, ASP156M, ASP157L, ASP157M, ASP80L, ASP80M, GLN119M, GLN122M, GLN123M, GLN58L, GLU118L, GLU130M, GLU134M, GLU146L, GLU146M, GLU152L, GLU152M, GLU71L, GLU71M, GLY104L, GLY104M, GLY77L, GLY77M, GLY79L, GLY79M, GLY88M, GLY99L, GLY99M, HIS145L, HIS145M, ILE100L, ILE100M, LEU105M, LEU110L, LEU144L, LEU144M, LEU151L, LEU151M, LEU155L, LEU155M, LEU40L, LEU59M, LEU66L, LEU81L, LEU81M, LEU86M, LEU90M, MET154L, MET154M, MET96M, PHE103L, PHE103M, PHE114L, PHE125L, PHE148L, PHE148M, PRO55M, PRO63L, PRO83M, SER102L, SER129L, SER69M, THR101M, THR107L, THR107M, THR112M, THR138L, THR138M, THR140L, THR141L, THR141M, THR72L, THR72M, THR74L, THR74M, THR75L, THR75M, THR85M, TRP67L, TRP67M, TRP68L, TRP68M, TRP87M, TYR137L, TYR137M, TYR62L, TYR78L, TYR78M, TYR82L, TYR82M, VAL106L, VAL115M, VAL126M, VAL70L, VAL70M, VAL76L, VAL76M, VAL84M, VAL91M, VAL93M, VAL94M, VAL95M, VAL97M
• L-N: ARG147L, ARG147N, ARG159L, ARG159N, ARG160L, ARG160N, ASN158L, ASN158N, GLY77L, GLY77N, GLY79L, GLY79N, LEU144L, LEU144N, LEU151L, LEU151N, LEU155L, LEU155N, MET154L, MET154N, PHE148L, PHE148N, THR74L, THR74N, THR75L, THR75N, TYR137L, TYR137N, TYR78L, TYR78N, TYR82L, TYR82N, VAL76L, VAL76N
• M-N: ALA108N, ALA109N, ALA111M, ALA133M, ALA133N, ALA136M, ALA143M, ALA28N, ALA47N, ALA65M, ALA73M, ALA73N, ALA92N, ARG139M, ARG142M, ARG142N, ARG147M, ARG147N, ARG150M, ARG150N, ARG153M, ARG153N, ARG159M, ARG159N, ARG160M, ARG160N, ARG64M, ARG89N, ASN158M, ASN158N, ASP149M, ASP149N, ASP156M, ASP156N, ASP157M, ASP80M, ASP80N, GLN117M, GLN119N, GLN121M, GLN122M, GLN122N, GLN123N, GLU118M, GLU130N, GLU134M, GLU134N, GLU146M, GLU146N, GLU152M, GLU152N, GLU51N, GLU71M, GLU71N, GLY104M, GLY104N, GLY56N, GLY77M, GLY77N, GLY79M, GLY79N, GLY88N, GLY99M, GLY99N, HIS145M, HIS145N, ILE100M, ILE100N, LEU105N, LEU110M, LEU144M, LEU144N, LEU151M, LEU151N, LEU155M, LEU155N, LEU24N, LEU36M, LEU40M, LEU59N, LEU66M, LEU81M, LEU81N, LEU86N, LEU90N, MET154M, MET154N, MET96N, PHE103M, PHE103N, PHE114M, PHE125M, PHE148M, PHE148N, PRO55N, PRO63M, PRO83N, SER102M, SER102N, SER129M, SER44M, SER69N, THR101N, THR107M, THR107N, THR112N, THR138M, THR138N, THR140M, THR140N, THR141M, THR141N, THR33M, THR72M, THR72N, THR74M, THR74N, THR75M, THR75N, THR85N, TRP67M, TRP67N, TRP68M, TRP68N, TRP87N, TYR137M, TYR137N, TYR62M, TYR78M, TYR78N, TYR82M, TYR82N, VAL106M, VAL115N, VAL126N, VAL37M, VAL70M, VAL70N, VAL76M, VAL76N, VAL84N, VAL91N, VAL93N, VAL94N, VAL95N, VAL97N