3U6N

open structure of the bk channel gating ring

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 87
  • Norm. En. per Res.: -2.7402
• 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	0.0	14.1073	-8.7374	5.3699	17	3	0	642	0	12	13
A-D	0.0	14.4693	-19.2935	-4.8242	57	0	1	1704	0	34	40
A-G	-10.7974	-74.9648	-124.771	-210.5332	89	14	4	7018	2	33	25
A-H	-9.95	-61.534	-138.645	-210.129	84	10	4	6781	3	31	22
B-E	0.0	14.5549	-1.7525	12.8023	20	3	0	753	0	11	13
B-F	0.0	7.8226	-22.4334	-14.6108	59	0	1	1862	0	35	40
B-G	-24.1922	-63.2715	-150.935	-238.3987	87	15	3	7172	4	33	23
B-H	-6.2218	-78.1269	-134.417	-218.7657	90	22	5	7681	4	34	26
C-D	-11.9274	-52.6974	-136.136	-200.7608	85	11	4	6830	1	30	22
C-F	-15.2627	-76.5266	-137.291	-229.0803	89	16	5	7071	4	34	23
C-G	0.0	15.6889	-19.4444	-3.7555	49	1	2	1471	0	32	36
D-E	-31.8821	-80.7913	-66.3768	-179.0502	91	21	5	6955	4	32	24
D-H	0.0	15.0511	-6.5451	8.5061	19	3	0	698	0	12	13
E-F	-11.4009	-42.424	-147.363	-201.1879	85	12	3	7443	4	33	22
E-H	0.0	17.1332	-14.6796	2.4536	44	3	2	1564	0	32	34
F-G	0.0	20.0217	17.3954	37.4171	23	12	0	949	0	13	16

Interface residues

• A-C: ARG413A, ARG413C, ASN407A, ASN407C, ASP410A, ASP410C, GLN402A, GLN402C, GLU399A, HIS409A, HIS409C, LEU385A, LEU385C, PRO383A, PRO383C, TYR401A, TYR401C
• A-D: ALA389A, ALA389D, ARG393A, ARG393D, ASN358A, ASN358D, ASN384A, ASN384D, ASP902A, ASP902D, ASP904A, ASP904D, GLU354A, GLU354D, GLU386A, GLU386D, GLU388A, GLU388D, GLU399A, GLU399D, GLU906A, GLU906D, HIS394A, HIS394D, LEU353A, LEU353D, LEU385A, LEU385D, LEU387A, LEU387D, LEU390A, LEU390D, LEU909A, LEU909D, LYS361A, LYS361D, LYS392A, LYS392D, PHE391A, PHE391D, PHE395A, PHE395D, PHE400A, PHE400D, PRO903A, PRO903D, SER357A, SER357D, SER890D, THR352A, THR352D, THR396A, THR396D, THR905A, THR905D, VAL398A, VAL398D
• A-G: ALA435A, ALA438A, ALA467A, ALA791G, ALA827G, ALA955A, ALA958A, ALA962A, ARG443A, ARG711G, ARG790G, ARG794G, ASN407A, ASN449A, ASN465A, ASN471A, ASN830G, ASN888G, ASN891G, ASN961A, ASP410A, ASP434A, ASP437A, ASP792G, ASP821G, ASP896G, ASP898G, ASP899G, ASP900G, ASP901G, ASP902G, ASP904G, CYS824G, GLN820G, GLN835G, GLN893G, GLN897G, GLU823G, GLU959A, GLU960A, HIS409A, HIS464A, HIS468A, ILE441A, ILE445A, ILE447A, ILE472A, ILE825G, ILE831G, LEU406A, LEU411A, LEU469A, LEU470A, LEU788G, LEU793G, LEU819G, LEU826G, LEU829G, LEU895G, LYS448A, LYS822G, LYS832G, MET442A, MET460A, MET834G, PHE728G, PHE836G, PHE894G, PRO408A, PRO452A, PRO473A, PRO787G, PRO903G, SER404A, SER439A, SER446A, SER474A, SER789G, SER828G, SER833G, SER878G, SER890G, THR786G, THR905G, TRP475A, TYR450A, VAL405A, VAL444A, VAL892G
• A-H: ALA438H, ALA467H, ALA791A, ALA827A, ALA955H, ALA958H, ALA962H, ARG443H, ARG711A, ARG790A, ARG794A, ASN407H, ASN449H, ASN465H, ASN471H, ASN830A, ASN891A, ASN961H, ASP410H, ASP437H, ASP792A, ASP821A, ASP896A, ASP898A, ASP899A, ASP900A, ASP901A, ASP902A, ASP904A, CYS824A, GLN820A, GLN835A, GLN893A, GLN897A, GLU823A, GLU959H, GLU960H, HIS409H, HIS451H, HIS468H, ILE441H, ILE445H, ILE447H, ILE472H, ILE825A, ILE831A, LEU406H, LEU411H, LEU469H, LEU470H, LEU788A, LEU793A, LEU819A, LEU826A, LEU829A, LEU895A, LYS448H, LYS822A, LYS832A, MET442H, MET834A, PHE728A, PHE894A, PRO408H, PRO452H, PRO473H, PRO787A, PRO903A, PRO912A, SER439H, SER446H, SER474H, SER789A, SER828A, SER833A, SER878A, SER890A, THR786A, THR905A, TRP475H, TYR450H, VAL405H, VAL444H, VAL892A
• B-E: ARG413B, ARG413E, ASN407B, ASN407E, ASP410B, ASP410E, GLN402B, GLN402E, GLU399B, GLY403E, HIS409B, HIS409E, LEU385B, LEU385E, LYS392B, PRO383B, PRO383E, TYR401B, TYR401E, VAL414B
• B-F: ALA389B, ALA389F, ARG393B, ARG393F, ASN358B, ASN358F, ASN384B, ASN384F, ASP902B, ASP902F, ASP904B, ASP904F, GLU354B, GLU354F, GLU386B, GLU386F, GLU388B, GLU388F, GLU399B, GLU399F, GLU906B, GLU906F, HIS365F, HIS394B, HIS394F, ILE517F, LEU353B, LEU353F, LEU385B, LEU385F, LEU387B, LEU387F, LEU390B, LEU390F, LEU909B, LEU909F, LYS361B, LYS361F, LYS392B, LYS392F, PHE391B, PHE391F, PHE395B, PHE395F, PHE400B, PHE400F, PRO903B, PRO903F, SER357B, SER357F, THR352B, THR352F, THR396B, THR396F, THR905B, THR905F, TYR908F, VAL398B, VAL398F
• B-G: ALA438G, ALA467G, ALA791B, ALA827B, ALA955G, ALA958G, ALA962G, ARG443G, ARG711B, ARG790B, ARG794B, ASN407G, ASN449G, ASN465G, ASN471G, ASN830B, ASN888B, ASN891B, ASN961G, ASP410G, ASP437G, ASP792B, ASP821B, ASP896B, ASP898B, ASP899B, ASP900B, ASP901B, ASP902B, ASP904B, CYS824B, GLN820B, GLN835B, GLN893B, GLN897B, GLU823B, GLU959G, GLU960G, HIS409G, HIS451G, HIS468G, ILE441G, ILE445G, ILE447G, ILE472G, ILE825B, ILE831B, LEU406G, LEU411G, LEU469G, LEU470G, LEU788B, LEU793B, LEU819B, LEU826B, LEU829B, LEU895B, LYS448G, LYS822B, LYS832B, MET442G, MET460G, MET834B, PHE728B, PHE894B, PRO408G, PRO452G, PRO473G, PRO787B, PRO903B, PRO912B, SER404G, SER439G, SER446G, SER474G, SER789B, SER828B, SER833B, SER878B, SER890B, THR786B, THR905B, TRP475G, TYR450G, VAL405G, VAL444G, VAL892B
• B-H: ALA435B, ALA438B, ALA467B, ALA791H, ALA827H, ALA955B, ALA958B, ALA962B, ARG443B, ARG711H, ARG790H, ARG794H, ASN407B, ASN449B, ASN465B, ASN471B, ASN830H, ASN888H, ASN891H, ASN961B, ASP410B, ASP434B, ASP437B, ASP792H, ASP821H, ASP896H, ASP898H, ASP899H, ASP900H, ASP901H, ASP902H, ASP904H, CYS824H, GLN820H, GLN835H, GLN893H, GLN897H, GLU823H, GLU959B, GLU960B, HIS409B, HIS464B, HIS468B, ILE441B, ILE445B, ILE447B, ILE472B, ILE825H, ILE831H, LEU406B, LEU411B, LEU469B, LEU470B, LEU788H, LEU793H, LEU819H, LEU826H, LEU829H, LEU895H, LYS448B, LYS822H, LYS832H, MET442B, MET460B, MET834H, PHE728H, PHE836H, PHE894H, PRO408B, PRO452B, PRO473B, PRO787H, PRO903H, PRO912H, SER404B, SER439B, SER446B, SER474B, SER789H, SER828H, SER833H, SER878H, SER890H, THR786H, THR905H, TRP475B, TYR450B, VAL405B, VAL444B, VAL892H
• C-D: ALA438C, ALA467C, ALA791D, ALA827D, ALA955C, ALA958C, ALA962C, ARG443C, ARG711D, ARG790D, ARG794D, ASN407C, ASN449C, ASN465C, ASN471C, ASN830D, ASN891D, ASN961C, ASP410C, ASP437C, ASP792D, ASP821D, ASP896D, ASP898D, ASP899D, ASP900D, ASP901D, ASP902D, ASP904D, CYS824D, GLN820D, GLN835D, GLN893D, GLN897D, GLU823D, GLU959C, GLU960C, HIS409C, HIS451C, HIS468C, ILE441C, ILE445C, ILE447C, ILE472C, ILE825D, ILE831D, LEU406C, LEU411C, LEU469C, LEU470C, LEU788D, LEU793D, LEU819D, LEU826D, LEU829D, LEU895D, LYS448C, LYS822D, LYS832D, MET442C, MET834D, PHE728D, PHE894D, PRO408C, PRO452C, PRO473C, PRO787D, PRO903D, PRO912D, SER404C, SER439C, SER446C, SER474C, SER789D, SER828D, SER833D, SER878D, SER890D, THR786D, THR905D, TRP475C, TYR450C, VAL405C, VAL444C, VAL892D
• C-F: ALA435F, ALA438F, ALA467F, ALA791C, ALA827C, ALA955F, ALA958F, ALA962F, ARG443F, ARG711C, ARG790C, ARG794C, ASN407F, ASN449F, ASN465F, ASN471F, ASN830C, ASN888C, ASN891C, ASN961F, ASP410F, ASP437F, ASP792C, ASP821C, ASP896C, ASP898C, ASP899C, ASP900C, ASP901C, ASP902C, ASP904C, CYS824C, GLN820C, GLN835C, GLN893C, GLN897C, GLU823C, GLU959F, GLU960F, HIS409F, HIS464F, HIS468F, ILE441F, ILE445F, ILE447F, ILE472F, ILE825C, ILE831C, LEU406F, LEU411F, LEU469F, LEU470F, LEU788C, LEU793C, LEU819C, LEU826C, LEU829C, LEU895C, LYS448F, LYS822C, LYS832C, MET442F, MET460F, MET834C, PHE728C, PHE836C, PHE894C, PRO408F, PRO452F, PRO473F, PRO787C, PRO903C, PRO912C, SER404F, SER439F, SER446F, SER474F, SER789C, SER828C, SER833C, SER878C, SER890C, THR786C, THR905C, TRP475F, TYR450F, VAL405F, VAL444F, VAL892C
• C-G: ALA389C, ALA389G, ARG393C, ARG393G, ASN384C, ASN384G, ASP902C, ASP904C, ASP904G, GLU354C, GLU354G, GLU386C, GLU386G, GLU388C, GLU388G, GLU399C, GLU399G, GLU906C, GLU906G, HIS394C, HIS394G, LEU353C, LEU353G, LEU385C, LEU385G, LEU387C, LEU387G, LEU390C, LEU390G, LYS361C, LYS361G, LYS392C, LYS392G, PHE391C, PHE391G, PHE395C, PHE395G, PRO903C, PRO903G, SER357C, SER357G, SER890G, THR352C, THR352G, THR396C, THR396G, THR905C, THR905G, VAL398G
• D-E: ALA435D, ALA438D, ALA467D, ALA791E, ALA827E, ALA955D, ALA958D, ALA962D, ARG443D, ARG711E, ARG790E, ARG794E, ASN407D, ASN440D, ASN449D, ASN465D, ASN471D, ASN830E, ASN888E, ASN891E, ASN961D, ASP410D, ASP434D, ASP437D, ASP792E, ASP821E, ASP896E, ASP898E, ASP899E, ASP900E, ASP901E, ASP902E, ASP904E, CYS824E, GLN820E, GLN835E, GLN893E, GLN897E, GLU772D, GLU823E, GLU959D, GLU960D, HIS409D, HIS464D, HIS468D, ILE441D, ILE445D, ILE447D, ILE472D, ILE825E, ILE831E, LEU406D, LEU411D, LEU469D, LEU470D, LEU788E, LEU793E, LEU819E, LEU826E, LEU829E, LEU895E, LYS448D, LYS822E, LYS832E, MET442D, MET460D, MET834E, PHE728E, PHE836E, PHE894E, PRO408D, PRO452D, PRO473D, PRO787E, PRO903E, SER404D, SER439D, SER446D, SER474D, SER789E, SER828E, SER833E, SER878E, SER890E, THR786E, THR905E, TRP475D, TYR450D, VAL405D, VAL444D, VAL892E
• D-H: ARG413D, ARG413H, ASN407D, ASN407H, ASP410D, ASP410H, GLN402D, GLN402H, GLU399D, HIS409D, HIS409H, LEU385D, LEU385H, LYS392D, PRO383D, PRO383H, TYR401D, TYR401H, VAL414H
• E-F: ALA438E, ALA467E, ALA791F, ALA827F, ALA955E, ALA958E, ALA962E, ARG443E, ARG711F, ARG790F, ARG794F, ASN407E, ASN449E, ASN465E, ASN471E, ASN830F, ASN888F, ASN891F, ASN961E, ASP410E, ASP437E, ASP792F, ASP821F, ASP896F, ASP898F, ASP899F, ASP900F, ASP901F, ASP902F, ASP904F, CYS824F, GLN820F, GLN893F, GLN897F, GLU823F, GLU959E, GLU960E, HIS409E, HIS451E, HIS468E, ILE441E, ILE445E, ILE447E, ILE472E, ILE825F, ILE831F, LEU406E, LEU411E, LEU469E, LEU470E, LEU788F, LEU793F, LEU819F, LEU826F, LEU829F, LEU895F, LYS448E, LYS822F, LYS832F, MET442E, MET460E, MET834F, PHE728F, PHE894F, PRO408E, PRO452E, PRO473E, PRO787F, PRO903F, PRO912F, SER439E, SER446E, SER474E, SER789F, SER828F, SER833F, SER878F, SER890F, THR786F, THR905F, TRP475E, TYR450E, VAL405E, VAL444E, VAL892F
• E-H: ALA389E, ALA389H, ARG393E, ARG393H, ASN358H, ASN384E, ASN384H, ASP904E, ASP904H, GLU354E, GLU354H, GLU386E, GLU386H, GLU388E, GLU388H, GLU906E, GLU906H, HIS394E, HIS394H, LEU353E, LEU353H, LEU385E, LEU385H, LEU387E, LEU387H, LEU390E, LEU390H, LYS361E, LYS361H, LYS392E, LYS392H, PHE391E, PHE391H, PHE395E, PHE395H, PRO903E, PRO903H, SER357E, SER357H, THR352E, THR352H, THR396E, THR396H, THR905E
• F-G: ARG413F, ARG413G, ASN407F, ASN407G, ASP410F, ASP410G, GLN402F, GLN402G, GLU399F, GLU399G, GLY403G, HIS409F, HIS409G, LEU385F, LEU385G, LYS392F, LYS392G, PRO383F, PRO383G, TYR401F, TYR401G, VAL414F, VAL414G