3HWS

crystal structure of nucleotide-bound hexameric clpx

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 176
  • Norm. En. per Res.: -2.3645
• 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-B	-9.0945	-28.1465	-271.539	-308.7801	158	24	7	13253	3	63	37
A-C	0.0	0.0	-0.1456	-0.1456	4	0	0	33	0	0	0
A-D	0.0	0.0	-0.0636	-0.0636	6	0	0	16	0	1	1
A-F	-11.2664	-46.8734	-236.324	-294.4638	125	15	5	10885	2	62	34
B-C	-30.3584	-54.5908	-331.2	-416.1493	176	37	4	14680	3	67	46
C-D	-16.968	-45.3954	-273.722	-336.0854	151	18	7	12761	2	59	41
D-E	-18.0727	-67.5336	-233.534	-319.1402	150	24	3	11386	5	63	34
D-F	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	0
E-F	-21.1662	-47.5194	-264.014	-332.6996	169	31	9	13888	4	69	47

Interface residues

• A-B: ALA143A, ALA145A, ALA151A, ALA151B, ALA210B, ALA252A, ALA332A, ALA339A, ALA364A, ALA378A, ALA84B, ALA89B, ALA91B, ARG100B, ARG191B, ARG200A, ARG261B, ARG307B, ARG365A, ARG370A, ARG373A, ARG71B, ARG98B, ASN101B, ASN106B, ASN114B, ASN160A, ASN195A, ASN331A, ASN342A, ASN72B, ASN94B, ASP144A, ASP157A, ASP184A, ASP201A, ASP294B, ASP382A, ASP386A, ASP75B, GLN163A, GLN167A, GLN185A, GLN208B, GLN209B, GLN289B, GLN336A, GLN338A, GLN83B, GLU109B, GLU130A, GLU150A, GLU150B, GLU205B, GLU291B, GLU293B, GLU303B, GLU344A, GLU377A, GLU408A, GLU69B, GLU82B, GLY102B, GLY107B, GLY111B, GLY122A, GLY152B, GLY155B, GLY204A, GLY206B, GLY299B, GLY306B, GLY345A, GLY371A, HIS68B, HIS95B, ILE161A, ILE189A, ILE189B, ILE296B, ILE301B, ILE305B, ILE375A, ILE70B, LEU110B, LEU148A, LEU212B, LEU300B, LEU308B, LEU333A, LEU340A, LEU343A, LEU372A, LEU380A, LEU381A, LEU387A, LEU64B, LEU74B, LEU88B, LYS112B, LYS125A, LYS164A, LYS168A, LYS188A, LYS213B, LYS297B, LYS330A, LYS335A, LYS361A, LYS366A, LYS85B, LYS86B, LYS97B, MET142A, MET384A, MET390A, PHE298B, PHE304B, PHE341A, PRO292B, PRO302B, PRO309B, PRO329A, PRO388A, PRO65B, PRO67B, SER105B, SER113B, SER190B, SER203A, SER374A, SER389A, THR104B, THR121A, THR126A, THR141A, THR146A, THR147A, THR149A, THR334A, THR367A, THR383A, THR66B, TYR153A, TYR182A, TYR337A, TYR385A, TYR93B, VAL108B, VAL154A, VAL154B, VAL207A, VAL207B, VAL290B, VAL310B, VAL311B, VAL87B, VAL90B
• A-C: ASN195C, PRO196C, SER197C, TYR153A
• A-D: GLY152A, GLY152D, TYR153A, TYR153D, VAL154D, VAL202A
• A-F: ALA252F, ALA281F, ALA288A, ALA312A, ALA332F, ALA339F, ALA362F, ALA364F, ALA369F, ALA378F, ALA84A, ALA89A, ALA91A, ARG100A, ARG191A, ARG191F, ARG200F, ARG261A, ARG307A, ARG365F, ARG370F, ARG373F, ARG71A, ARG98A, ASN101A, ASN114A, ASN331F, ASN342F, ASN72A, ASN94A, ASP103A, ASP201A, ASP201F, ASP294A, ASP382F, ASP386F, ASP75A, GLN209A, GLN289A, GLN336F, GLN83A, GLU109A, GLU205A, GLU216A, GLU263A, GLU291A, GLU293A, GLU303A, GLU344F, GLU377F, GLU69A, GLU82A, GLY102A, GLY111A, GLY306A, GLY345F, GLY368F, GLY371F, HIS260A, HIS68A, HIS95A, ILE115A, ILE296A, ILE301A, ILE305A, ILE375F, ILE70A, LEU110A, LEU212A, LEU308A, LEU317F, LEU333F, LEU340F, LEU343F, LEU372F, LEU380F, LEU381F, LEU387F, LEU64A, LEU74A, LEU88A, LEU99A, LYS112A, LYS188F, LYS192F, LYS213A, LYS330F, LYS335F, LYS361F, LYS366F, LYS85A, LYS86A, LYS97A, MET384F, MET390F, PHE304A, PHE341F, PRO292A, PRO302A, PRO309A, PRO329F, PRO388F, PRO65A, PRO67A, SER105A, SER113A, SER193F, SER374F, SER389F, THR104A, THR367F, THR383F, THR66A, TYR337F, TYR385F, TYR93A, TYR96A, VAL108A, VAL202A, VAL262A, VAL290A, VAL310A, VAL311A, VAL87A, VAL90A
• B-C: ALA143B, ALA145B, ALA151B, ALA210C, ALA288C, ALA339B, ALA362B, ALA364B, ALA369B, ALA378B, ALA84C, ALA89C, ALA91C, ARG100C, ARG191C, ARG200C, ARG228B, ARG261C, ARG307C, ARG365B, ARG370B, ARG373B, ARG71C, ARG98C, ASN101C, ASN114C, ASN160B, ASN195C, ASN331B, ASN72C, ASN94C, ASP103C, ASP144B, ASP157B, ASP170B, ASP172B, ASP184B, ASP201C, ASP239C, ASP294C, ASP382B, ASP386B, ASP75C, CYS169B, GLN163B, GLN167B, GLN185B, GLN208C, GLN209C, GLN232B, GLN237C, GLN289C, GLN336B, GLN83C, GLU130B, GLU150B, GLU156C, GLU159B, GLU159C, GLU205C, GLU216C, GLU291C, GLU293C, GLU303C, GLU344B, GLU377B, GLU69C, GLU82C, GLY102C, GLY111C, GLY122B, GLY152B, GLY155C, GLY204C, GLY206C, GLY217C, GLY299C, GLY306C, GLY345B, GLY368B, GLY371B, HIS230B, HIS68C, HIS95C, ILE161B, ILE162B, ILE198C, ILE215C, ILE258C, ILE296C, ILE301C, ILE305C, ILE375B, ILE70C, LEU148B, LEU165B, LEU166B, LEU212C, LEU214C, LEU236C, LEU300C, LEU308C, LEU333B, LEU340B, LEU343B, LEU372B, LEU380B, LEU381B, LEU387B, LEU64C, LEU74C, LEU88C, LEU99C, LYS112C, LYS164B, LYS168B, LYS188B, LYS213C, LYS297C, LYS361B, LYS366B, LYS85C, LYS86C, LYS97C, MET142B, MET384B, MET390B, PHE140B, PHE304C, PHE341B, PRO196C, PRO231B, PRO292C, PRO302C, PRO309C, PRO388B, PRO65C, PRO67C, SER113C, SER190C, SER197C, SER203C, SER241C, SER374B, SER389B, THR104C, THR121B, THR126B, THR141B, THR146B, THR147B, THR149B, THR199C, THR218C, THR240C, THR367B, THR383B, THR66C, TYR153B, TYR171B, TYR182B, TYR337B, TYR385B, TYR93C, TYR96C, VAL154C, VAL202C, VAL207C, VAL219C, VAL238C, VAL262C, VAL290C, VAL310C, VAL311C, VAL87C, VAL90C
• C-D: ALA210D, ALA250C, ALA252C, ALA288D, ALA312D, ALA332C, ALA339C, ALA362C, ALA364C, ALA369C, ALA378C, ALA84D, ALA89D, ALA91D, ARG100D, ARG191D, ARG261D, ARG307D, ARG365C, ARG370C, ARG373C, ARG71D, ARG98D, ASN101D, ASN106D, ASN114D, ASN195C, ASN331C, ASN342C, ASN72D, ASN94D, ASP103D, ASP187C, ASP255C, ASP294D, ASP382C, ASP386C, ASP75D, GLN209D, GLN289D, GLN336C, GLN338C, GLN83D, GLU109D, GLU156D, GLU205D, GLU263D, GLU283C, GLU291D, GLU293D, GLU303D, GLU344C, GLU377C, GLU69D, GLU82D, GLY102D, GLY107D, GLY111D, GLY155D, GLY206D, GLY253C, GLY299D, GLY306D, GLY345C, GLY368C, GLY371C, HIS260D, HIS68D, HIS95D, ILE115D, ILE296D, ILE301D, ILE305D, ILE375C, ILE70D, LEU110D, LEU254C, LEU286C, LEU295D, LEU300D, LEU308D, LEU317C, LEU333C, LEU340C, LEU343C, LEU372C, LEU380C, LEU381C, LEU387C, LEU64D, LEU74D, LEU88D, LEU99D, LYS112D, LYS188C, LYS213D, LYS256C, LYS297D, LYS330C, LYS335C, LYS366C, LYS85D, LYS86D, LYS97D, MET384C, MET390C, PHE251C, PHE298C, PHE298D, PHE304D, PHE341C, PRO120C, PRO196C, PRO292D, PRO302D, PRO309D, PRO329C, PRO388C, PRO65D, PRO67D, SER105D, SER113D, SER197C, SER203D, SER282C, SER374C, SER389C, SER62D, THR104D, THR121C, THR199C, THR334C, THR367C, THR383C, THR66D, TYR153D, TYR337C, TYR385C, TYR93D, TYR96D, VAL108D, VAL154D, VAL207D, VAL257C, VAL257D, VAL262D, VAL290D, VAL310D, VAL311D, VAL87D, VAL90D
• D-E: ALA143D, ALA145D, ALA151D, ALA151E, ALA210E, ALA220E, ALA288E, ALA332D, ALA339D, ALA378D, ALA84E, ALA89E, ALA91E, ARG100E, ARG134D, ARG191E, ARG261E, ARG307E, ARG365D, ARG370D, ARG373D, ARG71E, ARG98E, ASN101E, ASN106E, ASN114E, ASN160D, ASN331D, ASN342D, ASN72E, ASN94E, ASP144D, ASP157D, ASP170D, ASP184D, ASP294E, ASP382D, ASP386D, ASP75E, GLN167D, GLN185D, GLN208E, GLN209E, GLN289E, GLN336D, GLN83E, GLU109E, GLU130D, GLU150D, GLU150E, GLU205E, GLU216E, GLU291E, GLU293E, GLU303E, GLU344D, GLU377D, GLU69E, GLY102E, GLY107E, GLY122D, GLY152D, GLY152E, GLY206E, GLY299E, GLY306E, GLY345D, GLY368D, GLY371D, HIS68E, HIS95E, ILE161D, ILE296E, ILE301E, ILE305E, ILE375D, ILE70E, LEU110E, LEU148D, LEU212E, LEU214E, LEU300E, LEU308E, LEU333D, LEU340D, LEU343D, LEU372D, LEU380D, LEU381D, LEU387D, LEU64E, LEU74E, LEU88E, LEU99E, LYS112E, LYS125D, LYS164D, LYS168D, LYS188D, LYS213E, LYS297E, LYS330D, LYS335D, LYS366D, LYS85E, LYS86E, LYS97E, MET142D, MET384D, MET390D, PHE140D, PHE304E, PHE341D, PRO292E, PRO302E, PRO309E, PRO329D, PRO388D, PRO65E, PRO67E, SER105E, SER113E, SER374D, SER389D, THR104E, THR121D, THR126D, THR141D, THR146D, THR147D, THR149D, THR218E, THR367D, THR383D, THR66E, TYR153D, TYR153E, TYR182D, TYR337D, TYR385D, TYR77D, TYR93E, TYR96E, VAL108E, VAL207E, VAL290E, VAL310E, VAL311E, VAL87E, VAL90E
• D-F: TYR153D, VAL202F
• E-F: ALA143E, ALA145E, ALA151E, ALA210F, ALA220F, ALA288F, ALA332E, ALA339E, ALA364E, ALA378E, ALA84F, ALA89F, ALA91F, ARG100F, ARG134E, ARG200F, ARG261F, ARG307F, ARG365E, ARG370E, ARG373E, ARG71F, ARG98F, ASN101F, ASN106F, ASN160E, ASN331E, ASN342E, ASN72F, ASN94F, ASP103F, ASP144E, ASP157E, ASP170E, ASP184E, ASP201F, ASP294F, ASP382E, ASP386E, GLN163E, GLN167E, GLN185E, GLN208F, GLN209F, GLN289F, GLN336E, GLN338E, GLN83F, GLU109F, GLU130E, GLU150E, GLU156E, GLU205F, GLU216F, GLU291F, GLU293F, GLU303F, GLU344E, GLU377E, GLU69F, GLU82F, GLY102F, GLY107F, GLY111F, GLY152E, GLY152F, GLY155E, GLY155F, GLY206F, GLY217F, GLY299F, GLY306F, GLY345E, GLY371E, HIS68F, HIS73F, HIS95F, ILE161E, ILE162E, ILE183E, ILE296F, ILE301F, ILE305F, ILE375E, ILE70F, LEU110F, LEU148E, LEU165E, LEU211F, LEU212F, LEU214F, LEU300F, LEU308F, LEU333E, LEU340E, LEU343E, LEU372E, LEU380E, LEU381E, LEU387E, LEU64F, LEU74F, LEU88F, LEU99F, LYS112F, LYS164E, LYS168E, LYS188E, LYS213F, LYS297F, LYS330E, LYS335E, LYS361E, LYS366E, LYS85F, LYS86F, LYS97F, MET142E, MET384E, MET390E, PHE140E, PHE235E, PHE304F, PHE341E, PRO292F, PRO302F, PRO309F, PRO329E, PRO388E, PRO65F, PRO67F, SER105F, SER190F, SER203F, SER374E, SER389E, THR121E, THR126E, THR141E, THR146E, THR147E, THR218F, THR334E, THR367E, THR383E, THR66F, TYR153E, TYR153F, TYR171E, TYR182E, TYR337E, TYR385E, TYR77E, TYR93F, TYR96F, VAL108F, VAL154E, VAL154F, VAL158E, VAL158F, VAL202F, VAL207F, VAL219F, VAL290F, VAL310F, VAL311F, VAL346E, VAL87F, VAL90F