2QE7

crystal structure of the f1-atpase from the thermoalkaliphilic bacterium bacillus sp. ta2.a1

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 189
  • Norm. En. per Res.: -2.6564
• Hub Node: A(5)

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	0.0	-0.0056	-0.0056	2	0	0	7	0	0	0
A-C	0.0	0.0	-0.0112	-0.0112	2	0	0	11	0	0	0
A-D	-100.528	-30.7336	-426.163	-557.4245	226	52	7	20172	6	63	61
A-E	-90.1074	34.0919	-462.032	-518.0475	196	47	6	19943	2	77	74
A-G	0.0	-4.0934	-42.1022	-46.1955	57	0	3	2587	0	25	12
B-C	0.0	0.0	-0.0058	-0.0058	2	0	0	7	0	0	0
B-E	-87.2457	-39.9897	-389.544	-516.7794	215	57	8	19246	7	59	60
B-F	-86.7865	30.12	-445.398	-502.0645	189	35	6	19428	2	74	74
C-D	-65.8894	50.8351	-409.775	-424.8292	189	37	7	19038	3	73	71
C-F	-100.659	-42.2248	-400.716	-543.5998	214	40	7	17958	5	56	59
C-G	0.0	0.0	-0.0409	-0.0409	3	0	0	19	0	0	2
D-G	-3.1622	-11.6846	-124.167	-139.0138	90	3	3	5977	1	39	21
E-H	0.0	0.0	0.6625	0.6625	8	1	0	45	0	0	0
G-H	-4.467	-11.3033	1.7853	-13.9849	62	27	3	4774	0	18	17

Interface residues

• A-B: ARG278B, PRO280A
• A-C: ARG278A, PRO280C
• A-D: ALA115D, ALA124D, ALA139D, ALA142D, ALA197A, ALA206A, ALA226A, ALA228A, ALA232A, ALA267D, ALA268A, ALA269A, ALA275D, ALA285A, ALA312D, ALA316D, ALA320D, ALA323A, ALA328A, ALA341D, ALA350D, ALA396A, ALA39A, ALA44D, ALA45D, ARG106A, ARG113D, ARG118A, ARG171A, ARG213A, ARG220D, ARG263D, ARG271A, ARG278A, ARG279A, ARG283A, ARG284D, ARG345D, ARG354A, ARG361D, ARG369D, ARG40A, ARG54D, ARG83A, ASN28D, ASN51D, ASP116A, ASP125D, ASP25D, ASP262A, ASP305D, ASP308D, ASP319D, ASP325A, ASP347A, ASP36A, ASP372D, ASP389D, ASP423A, ASP50D, GLN172A, GLN200A, GLN202A, GLN214A, GLN22D, GLN271D, GLN280D, GLN282D, GLN322A, GLN33A, GLN364D, GLN365D, GLN368D, GLN397A, GLU117D, GLU119D, GLU120D, GLU210A, GLU230A, GLU272A, GLU277D, GLU283D, GLU284A, GLU320A, GLU354D, GLU384D, GLU388D, GLU424A, GLU81A, GLU84A, GLY117A, GLY119A, GLY144D, GLY145D, GLY174A, GLY199A, GLY207A, GLY21D, GLY262D, GLY269D, GLY279D, GLY282A, GLY324A, GLY352A, GLY35A, GLY37A, GLY49D, GLY85A, HIS112D, HIS215A, HIS317D, HIS425A, HIS47D, ILE147D, ILE26D, ILE285D, ILE32A, ILE346D, ILE376D, ILE379D, ILE38A, ILE392D, ILE75A, ILE82A, LEU115A, LEU121D, LEU218A, LEU235A, LEU23D, LEU261D, LEU273A, LEU274D, LEU275A, LEU276A, LEU277A, LEU281D, LEU318D, LEU340D, LEU347D, LEU348A, LEU373D, LEU380D, LEU48D, LYS143D, LYS146D, LYS201A, LYS265A, LYS289D, LYS421A, LYS426A, MET264D, MET278D, PHE118D, PHE315D, PHE349A, PHE398A, PRO114A, PRO114D, PRO116D, PRO231A, PRO233A, PRO24D, PRO265D, PRO272D, PRO280A, PRO281A, PRO287A, PRO309D, PRO311D, PRO349D, PRO76D, PRO78A, SER122D, SER203A, SER20D, SER227A, SER229A, SER258D, SER266D, SER274A, SER287D, SER342D, SER344D, SER346A, SER348D, SER351A, SER386D, THR123D, THR204A, THR211A, THR225A, THR273D, THR276D, THR286D, THR288D, THR307D, THR313D, THR314D, THR321A, THR321D, THR343D, THR80A, THR86A, TYR195A, TYR270A, TYR270D, TYR27D, TYR286A, TYR306D, TYR350A, TYR357D, TYR79A, VAL107A, VAL108A, VAL205A, VAL208A, VAL209A, VAL223A, VAL268D, VAL31A, VAL34A, VAL351D, VAL353A, VAL46D, VAL52D, VAL53D
• A-E: ALA133A, ALA153E, ALA217E, ALA253E, ALA259E, ALA267E, ALA301A, ALA302A, ALA303E, ALA310E, ALA328A, ALA49A, ALA59E, ALA63A, ARG139A, ARG164A, ARG184E, ARG186E, ARG218E, ARG249E, ARG263E, ARG279A, ARG283A, ARG296A, ARG300A, ARG326E, ARG365A, ARG54E, ARG66E, ARG88E, ARG90A, ARG93A, ASN189E, ASN212E, ASN246E, ASN333A, ASN65A, ASN70A, ASN91E, ASP138A, ASP15E, ASP190E, ASP289A, ASP304E, ASP305E, ASP308E, ASP339A, ASP50E, ASP62E, ASP69A, ASP98E, GLN100E, GLN163A, GLN17E, GLN210E, GLN252E, GLN341A, GLN36E, GLN64A, GLN8E, GLU130A, GLU183E, GLU187E, GLU194E, GLU213E, GLU256E, GLU284A, GLU299A, GLU307A, GLU45A, GLU51A, GLU67A, GLU68A, GLU99E, GLY11E, GLY135A, GLY152E, GLY154E, GLY162A, GLY180E, GLY182E, GLY188E, GLY209E, GLY216E, GLY262E, GLY269E, GLY282A, GLY288A, GLY29A, GLY340A, GLY43A, GLY50A, GLY63E, GLY67E, GLY72A, GLY92A, HIS193E, HIS294A, HIS42A, ILE129A, ILE201E, ILE335A, ILE337A, ILE6E, ILE7E, ILE94A, ILE97E, LEU191E, LEU260E, LEU261E, LEU277A, LEU293A, LEU297A, LEU298A, LEU304A, LEU44A, LEU48E, LEU64E, LEU66A, LEU68E, LYS140A, LYS157E, LYS196E, LYS303A, LYS308A, LYS46A, MET10E, MET137A, MET206E, MET211E, MET264E, MET48A, MET62A, MET95A, PHE178E, PHE208E, PHE248E, PHE291A, PHE90E, PRO128A, PRO12E, PRO132A, PRO134A, PRO214E, PRO215E, PRO265E, PRO280A, PRO281A, PRO287A, PRO302E, PRO309E, PRO311E, PRO331A, PRO35E, PRO96E, SER131A, SER141A, SER255E, SER258E, SER266E, SER295A, SER305A, SER327A, SER336A, SER60E, THR185E, THR332A, THR338A, THR61E, TYR192E, TYR270A, TYR270E, TYR286A, TYR292A, TYR300E, TYR329A, VAL136A, VAL13E, VAL142A, VAL14E, VAL155E, VAL207E, VAL257E, VAL268E, VAL290A, VAL301E, VAL334A, VAL363A, VAL366A, VAL41A, VAL47A, VAL52E, VAL65E, VAL71A, VAL89E, VAL9E
• A-G: ALA23G, ALA323A, ALA394A, ALA396A, ARG120G, ARG12G, ARG18G, ARG241G, ARG390A, ARG5G, ARG85G, ARG9G, ASN16G, ASP142G, ASP347A, ASP401A, ASP84G, GLN172A, GLN19G, GLN393A, GLN397A, GLN407A, GLU345A, GLU391A, GLU6G, GLY139G, GLY324A, GLY352A, GLY399A, GLY86G, ILE140G, ILE20G, LEU348A, LEU392A, LEU402A, LEU87G, LYS121G, LYS15G, LYS31G, LYS404A, LYS8G, MET245G, MET24G, MET4G, PHE238G, PHE349A, PHE395A, PHE398A, SER13G, SER141G, SER346A, SER351A, SER400A, THR17G, THR21G, TYR350A, VAL27G
• B-C: ARG278C, PRO280B
• B-E: ALA115E, ALA124E, ALA142E, ALA197B, ALA206B, ALA228B, ALA232B, ALA267E, ALA268B, ALA269B, ALA275E, ALA285B, ALA312E, ALA316E, ALA320E, ALA323B, ALA328B, ALA350E, ALA396B, ALA39B, ALA44E, ALA45E, ARG113E, ARG118B, ARG171B, ARG213B, ARG220E, ARG263E, ARG271B, ARG278B, ARG279B, ARG283B, ARG284E, ARG345E, ARG354B, ARG361E, ARG369E, ARG40B, ARG54E, ARG83B, ASN28E, ASN51E, ASP116B, ASP125E, ASP25E, ASP262B, ASP308E, ASP319E, ASP325B, ASP347B, ASP36B, ASP372E, ASP389E, ASP423B, ASP50E, GLN172B, GLN17E, GLN200B, GLN202B, GLN214B, GLN22E, GLN271E, GLN280E, GLN282E, GLN322B, GLN33B, GLN364E, GLN365E, GLN368E, GLN397B, GLU117E, GLU119E, GLU120E, GLU210B, GLU230B, GLU272B, GLU277E, GLU283E, GLU284B, GLU320B, GLU354E, GLU384E, GLU388E, GLU424B, GLU81B, GLU84B, GLY117B, GLY119B, GLY144E, GLY145E, GLY199B, GLY207B, GLY21E, GLY262E, GLY269E, GLY279E, GLY282B, GLY352B, GLY35B, GLY37B, GLY49E, GLY85B, HIS112E, HIS317E, HIS425B, HIS47E, ILE26E, ILE285E, ILE32B, ILE346E, ILE376E, ILE38B, ILE392E, ILE75B, ILE82B, LEU115B, LEU121E, LEU218B, LEU235B, LEU23E, LEU261E, LEU273B, LEU274E, LEU275B, LEU276B, LEU277B, LEU281E, LEU318E, LEU340E, LEU347E, LEU348B, LEU373E, LEU380E, LEU48E, LYS143E, LYS146E, LYS201B, LYS265B, LYS289E, LYS426B, MET264E, MET278E, PHE118E, PHE18E, PHE315E, PHE349B, PHE398B, PRO114B, PRO114E, PRO116E, PRO231B, PRO233B, PRO24E, PRO265E, PRO272E, PRO280B, PRO281B, PRO287B, PRO309E, PRO311E, PRO349E, PRO76E, PRO78B, SER122E, SER203B, SER20E, SER227B, SER229B, SER258E, SER266E, SER274B, SER287E, SER342E, SER344E, SER346B, SER348E, SER351B, SER386E, THR123E, THR204B, THR211B, THR225B, THR273E, THR276E, THR286E, THR288E, THR307E, THR313E, THR314E, THR321E, THR343E, THR80B, THR86B, TYR195B, TYR270B, TYR270E, TYR27E, TYR286B, TYR306E, TYR350B, TYR357E, TYR79B, VAL107B, VAL205B, VAL208B, VAL209B, VAL223B, VAL268E, VAL31B, VAL34B, VAL351E, VAL353B, VAL46E, VAL52E, VAL53E
• B-F: ALA133B, ALA153F, ALA217F, ALA253F, ALA259F, ALA267F, ALA301B, ALA302B, ALA303F, ALA310F, ALA328B, ALA49B, ALA59F, ALA63B, ARG139B, ARG164B, ARG184F, ARG186F, ARG218F, ARG249F, ARG263F, ARG278B, ARG279B, ARG283B, ARG296B, ARG300B, ARG365B, ARG54F, ARG66F, ARG90B, ARG93B, ASN189F, ASN212F, ASN246F, ASN333B, ASN65B, ASN70B, ASP138B, ASP15F, ASP190F, ASP289B, ASP304F, ASP305F, ASP308F, ASP339B, ASP50F, ASP62F, ASP69B, ASP98F, GLN100F, GLN163B, GLN17F, GLN210F, GLN252F, GLN341B, GLN36F, GLN64B, GLN8F, GLU130B, GLU183F, GLU187F, GLU213F, GLU256F, GLU284B, GLU299B, GLU307B, GLU45B, GLU51B, GLU67B, GLU68B, GLU99F, GLY11F, GLY135B, GLY152F, GLY154F, GLY162B, GLY180F, GLY182F, GLY188F, GLY209F, GLY216F, GLY262F, GLY269F, GLY282B, GLY288B, GLY29B, GLY340B, GLY43B, GLY50B, GLY63F, GLY67F, GLY72B, HIS193F, HIS294B, HIS42B, ILE129B, ILE335B, ILE337B, ILE6F, ILE7F, ILE94B, ILE97F, LEU191F, LEU260F, LEU261F, LEU277B, LEU293B, LEU297B, LEU298B, LEU44B, LEU48F, LEU64F, LEU66B, LEU68F, LYS140B, LYS196F, LYS303B, LYS308B, LYS46B, MET10F, MET137B, MET206F, MET211F, MET264F, MET48B, MET62B, MET95B, PHE178F, PHE208F, PHE248F, PHE291B, PHE90F, PRO128B, PRO12F, PRO132B, PRO134B, PRO214F, PRO215F, PRO265F, PRO280B, PRO281B, PRO287B, PRO302F, PRO309F, PRO311F, PRO331B, PRO35F, PRO96F, SER131B, SER141B, SER255F, SER258F, SER266F, SER274B, SER295B, SER305B, SER327B, SER336B, SER60F, THR185F, THR307F, THR332B, THR338B, THR61F, TYR192F, TYR270B, TYR270F, TYR286B, TYR292B, TYR300F, TYR329B, VAL136B, VAL13F, VAL142B, VAL14F, VAL207F, VAL257F, VAL268F, VAL290B, VAL301F, VAL334B, VAL366B, VAL41B, VAL47B, VAL52F, VAL65F, VAL71B, VAL89F, VAL9F
• C-D: ALA133C, ALA153D, ALA217D, ALA253D, ALA259D, ALA267D, ALA301C, ALA302C, ALA303D, ALA310D, ALA328C, ALA49C, ALA57D, ALA59D, ALA63C, ARG139C, ARG164C, ARG184D, ARG186D, ARG218D, ARG249D, ARG263D, ARG279C, ARG283C, ARG296C, ARG300C, ARG365C, ARG66D, ARG88D, ARG90C, ARG93C, ASN189D, ASN212D, ASN246D, ASN333C, ASN65C, ASN70C, ASN91D, ASP138C, ASP15D, ASP190D, ASP289C, ASP304D, ASP305D, ASP308D, ASP339C, ASP50D, ASP62D, ASP69C, ASP98D, GLN100D, GLN163C, GLN17D, GLN210D, GLN252D, GLN341C, GLN36D, GLN64C, GLN8D, GLU130C, GLU183D, GLU187D, GLU213D, GLU256D, GLU284C, GLU299C, GLU307C, GLU45C, GLU51C, GLU67C, GLU68C, GLU99D, GLY11D, GLY135C, GLY152D, GLY154D, GLY162C, GLY180D, GLY182D, GLY188D, GLY209D, GLY216D, GLY262D, GLY269D, GLY282C, GLY288C, GLY29C, GLY340C, GLY43C, GLY50C, GLY63D, GLY67D, GLY72C, HIS193D, HIS294C, HIS42C, ILE129C, ILE335C, ILE337C, ILE6D, ILE7D, ILE94C, ILE97D, LEU191D, LEU260D, LEU261D, LEU277C, LEU293C, LEU297C, LEU298C, LEU44C, LEU53C, LEU64D, LEU66C, LEU68D, LYS140C, LYS157D, LYS196D, LYS303C, LYS308C, LYS46C, MET10D, MET137C, MET206D, MET211D, MET264D, MET48C, MET62C, MET95C, PHE208D, PHE248D, PHE291C, PHE90D, PRO128C, PRO12D, PRO132C, PRO134C, PRO214D, PRO215D, PRO265D, PRO280C, PRO281C, PRO287C, PRO302D, PRO309D, PRO311D, PRO331C, PRO35D, PRO96D, SER131C, SER141C, SER255D, SER258D, SER266D, SER295C, SER305C, SER327C, SER336C, SER60D, THR185D, THR332C, THR338C, THR61D, TYR192D, TYR270C, TYR270D, TYR286C, TYR292C, TYR300D, TYR329C, VAL136C, VAL13D, VAL142C, VAL14D, VAL207D, VAL257D, VAL268D, VAL290C, VAL301D, VAL334C, VAL366C, VAL41C, VAL47C, VAL52D, VAL65D, VAL71C, VAL73C, VAL89D, VAL9D
• C-F: ALA115F, ALA124F, ALA197C, ALA206C, ALA228C, ALA232C, ALA267F, ALA268C, ALA269C, ALA275F, ALA285C, ALA312F, ALA316F, ALA320F, ALA323C, ALA328C, ALA350F, ALA396C, ALA39C, ALA44F, ALA45F, ARG106C, ARG113F, ARG118C, ARG171C, ARG213C, ARG220F, ARG263F, ARG271C, ARG278C, ARG279C, ARG283C, ARG284F, ARG345F, ARG354C, ARG361F, ARG369F, ARG40C, ARG54F, ARG83C, ASN28F, ASN51F, ASP116C, ASP125F, ASP25F, ASP262C, ASP305F, ASP308F, ASP319F, ASP325C, ASP36C, ASP372F, ASP389F, ASP423C, ASP50F, ASP72F, GLN172C, GLN200C, GLN202C, GLN214C, GLN22F, GLN271F, GLN280F, GLN282F, GLN322C, GLN33C, GLN364F, GLN365F, GLN368F, GLN397C, GLU117F, GLU119F, GLU120F, GLU210C, GLU230C, GLU272C, GLU277F, GLU283F, GLU284C, GLU320C, GLU354F, GLU384F, GLU388F, GLU424C, GLU81C, GLU84C, GLY117C, GLY119C, GLY144F, GLY145F, GLY199C, GLY207C, GLY21F, GLY262F, GLY269F, GLY279F, GLY282C, GLY352C, GLY35C, GLY37C, GLY49F, GLY85C, HIS112F, HIS317F, HIS425C, HIS47F, ILE26F, ILE285F, ILE32C, ILE346F, ILE376F, ILE379F, ILE38C, ILE75C, ILE82C, LEU115C, LEU121F, LEU218C, LEU235C, LEU23F, LEU261F, LEU273C, LEU274F, LEU275C, LEU276C, LEU277C, LEU281F, LEU318F, LEU340F, LEU347F, LEU373F, LEU380F, LEU48F, LYS143F, LYS146F, LYS201C, LYS265C, LYS289F, LYS426C, MET264F, MET278F, PHE118F, PHE18F, PHE315F, PHE349C, PHE398C, PRO114C, PRO114F, PRO116F, PRO231C, PRO233C, PRO24F, PRO265F, PRO272F, PRO280C, PRO281C, PRO287C, PRO309F, PRO311F, PRO349F, PRO76F, PRO78C, SER122F, SER203C, SER20F, SER227C, SER229C, SER258F, SER266F, SER274C, SER287F, SER342F, SER344F, SER348F, SER351C, SER386F, THR123F, THR204C, THR211C, THR225C, THR273F, THR276F, THR286F, THR288F, THR307F, THR313F, THR314F, THR321C, THR321F, THR343F, THR80C, THR86C, TYR195C, TYR270C, TYR270F, TYR27F, TYR286C, TYR306F, TYR350C, TYR357F, TYR79C, VAL107C, VAL108C, VAL205C, VAL208C, VAL209C, VAL223C, VAL268F, VAL31C, VAL34C, VAL353C, VAL46F, VAL52F, VAL53F
• C-G: ARG265G, ARG390C, ILE361C
• D-G: ALA244G, ALA248G, ALA252G, ALA266G, ALA341D, ALA378D, ALA88G, ALA93G, ARG10G, ARG129G, ARG18G, ARG241G, ARG265G, ARG326D, ARG361D, ARG369D, ARG5G, ARG97G, ARG9G, ASN16G, ASN247G, ASN251G, ASN264G, ASN323D, ASN371D, ASN92G, ASN94G, ASP250G, ASP304D, ASP338D, ASP372D, ASP375D, ASP383D, ASP387D, GLN19G, GLN262G, GLN364D, GLN365D, GLN368D, GLN374D, GLU254G, GLU325D, GLU384D, GLU6G, GLY381D, GLY3G, GLY86G, GLY89G, ILE11G, ILE20G, ILE376D, ILE377D, ILE379D, ILE7G, LEU256G, LEU259G, LEU261G, LEU324D, LEU340D, LEU367D, LEU373D, LEU380D, LEU385D, LEU87G, LYS121G, LYS128G, LYS15G, LYS327D, MET245G, MET24G, MET255G, MET4G, PHE150D, PHE315D, PRO90G, SER13G, SER342D, SER386D, THR17G, THR21G, THR249G, THR253G, THR258G, THR321D, THR343D, TYR300D, TYR306D, TYR370D, TYR91G, VAL14G
• E-H: ARG397E, ASN371E, GLN374E, GLN400E, ILE377E, MET331E, TYR370E, VAL4H
• G-H: ALA35G, ALA39G, ALA42G, ALA46G, ALA79H, ALA82H, ARG116H, ARG123H, ARG127H, ARG13H, ARG33G, ARG34G, ARG43G, ARG92H, ASN41G, ASN76H, ASP47G, ASP7H, ASP80H, GLN150G, GLN154G, GLN17H, GLN36G, GLU12H, GLU223G, GLU37G, GLU40G, GLU69H, GLY65H, GLY66H, ILE49G, ILE77H, ILE8H, LEU146G, LEU217G, LEU218G, LEU231G, LEU78H, LYS14H, LYS220G, LYS48G, PHE67H, PRO11H, PRO144G, PRO219G, PRO44G, PRO44H, SER141G, SER145G, SER64H, THR10H, THR143G, THR147G, THR224G, THR38G, THR81H, TYR1H, TYR221G, TYR227G, TYR45G, VAL15H, VAL9H