3B8O

structure of wzze- bacterial polysaccharide co-polymerase

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 146
  • Norm. En. per Res.: -2.313
• Hub Node: A(2)

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	-55.5282	-40.1893	-218.026	-313.7436	142	12	7	9688	6	42	47
A-H	-57.6261	-39.1227	-202.893	-299.6418	138	17	6	8625	9	40	41
B-C	-62.4525	-42.431	-193.777	-298.6606	134	18	4	8326	10	40	39
C-D	-69.4103	-57.5039	-210.791	-337.7052	146	10	6	9918	9	42	46
D-E	-49.4387	-45.8132	-208.803	-304.0549	138	16	6	9132	10	42	42
E-F	-62.3042	-28.6486	-203.61	-294.5628	142	11	7	9668	8	41	49
F-G	-40.5926	-39.7087	-198.772	-279.0733	135	11	5	8636	10	40	38
G-H	-61.1584	-36.74	-205.144	-303.0424	139	12	7	9807	8	42	47

Interface residues

• A-B: ALA110A, ALA135A, ALA137A, ALA138A, ALA157B, ALA169B, ALA187A, ALA198A, ALA200A, ALA201A, ALA208A, ALA217A, ALA219A, ALA274B, ALA278B, ALA288B, ALA60B, ARG115A, ARG116A, ARG156B, ARG177B, ARG186A, ARG202A, ARG212A, ARG223A, ARG224A, ARG268B, ARG287B, ARG307B, ARG310B, ARG318B, ARG64B, ASN145A, ASN159B, ASN173B, ASN192A, ASN226A, ASN271B, ASN286B, ASN291B, ASN68B, ASN82B, ASP113A, ASP136A, ASP141A, ASP153A, ASP160A, ASP193A, ASP280A, ASP280B, ASP282A, ASP282B, ASP284B, ASP63B, ASP84A, ASP99B, GLN108A, GLN205A, GLN209A, GLN213A, GLN230A, GLN273B, GLN285B, GLN76B, GLN78B, GLU104A, GLU117A, GLU142A, GLU194A, GLU214A, GLU215A, GLU270B, GLU313B, GLU314B, GLY152A, GLY197A, GLY276B, GLY71B, GLY72B, HIS190A, ILE144A, ILE150A, ILE204A, ILE220A, ILE228A, ILE61B, LEU120A, LEU139A, LEU140A, LEU191A, LEU195A, LEU272B, LEU281B, LEU290B, LEU293B, LEU309B, LEU80A, LEU83A, LEU83B, LYS103A, LYS134A, LYS196A, LYS211A, LYS218A, LYS317B, PHE105A, PHE149A, PHE154A, PHE154B, PHE279B, PHE79B, PRO151A, PRO277B, PRO312B, PRO315B, PRO65B, SER111A, SER133A, SER189A, SER227A, SER75B, THR114A, THR155A, THR155B, THR292B, THR311B, THR59B, THR66B, TRP112A, TRP199A, TRP199B, TRP56B, TYR283B, TYR308B, TYR74B, VAL106A, VAL158B, VAL216A, VAL275B, VAL316B, VAL67B, VAL85A
• A-H: ALA110H, ALA135H, ALA137H, ALA138H, ALA157A, ALA187H, ALA198H, ALA200H, ALA201H, ALA208H, ALA217H, ALA219H, ALA274A, ALA278A, ALA288A, ALA60A, ARG115H, ARG116H, ARG156A, ARG177A, ARG186H, ARG202H, ARG212H, ARG223H, ARG224H, ARG287A, ARG307A, ARG310A, ARG318A, ARG64A, ASN145H, ASN159A, ASN173A, ASN192H, ASN226H, ASN271A, ASN286A, ASN291A, ASN68A, ASN82A, ASP113H, ASP136H, ASP141H, ASP153H, ASP193H, ASP280A, ASP280H, ASP282A, ASP282H, ASP284A, ASP63A, ASP84H, ASP99A, GLN108H, GLN205H, GLN209H, GLN213H, GLN230H, GLN273A, GLN285A, GLN76A, GLN77H, GLN78A, GLU104H, GLU117H, GLU142H, GLU194H, GLU214A, GLU214H, GLU215H, GLU229H, GLU270A, GLU313A, GLU314A, GLY152H, GLY197H, GLY276A, GLY71A, GLY72A, HIS190H, ILE144H, ILE150H, ILE204H, ILE220H, ILE228H, ILE61A, LEU120H, LEU139H, LEU140H, LEU191H, LEU195H, LEU281A, LEU290A, LEU293A, LEU309A, LEU83A, LYS103H, LYS134H, LYS196H, LYS211H, LYS218H, LYS317A, PHE105H, PHE149H, PHE154A, PHE279A, PHE79A, PRO151H, PRO277A, PRO312A, PRO315A, PRO65A, SER111H, SER133H, SER189H, SER227H, SER75A, THR114H, THR155A, THR292A, THR298A, THR311A, THR59A, THR66A, TRP112H, TRP199A, TRP199H, TRP56A, TYR221H, TYR283A, TYR308A, TYR74A, VAL106H, VAL158A, VAL216H, VAL275A, VAL316A, VAL67A
• B-C: ALA110B, ALA135B, ALA137B, ALA138B, ALA157C, ALA187B, ALA198B, ALA200B, ALA201B, ALA208B, ALA217B, ALA219B, ALA274C, ALA278C, ALA288C, ALA60C, ARG115B, ARG116B, ARG156C, ARG177C, ARG186B, ARG202B, ARG212B, ARG223B, ARG224B, ARG268C, ARG287C, ARG307C, ARG310C, ARG318C, ARG64C, ASN145B, ASN159C, ASN173C, ASN192B, ASN226B, ASN271C, ASN286C, ASN291C, ASN68C, ASN82C, ASP113B, ASP136B, ASP141B, ASP153B, ASP193B, ASP280B, ASP280C, ASP282B, ASP282C, ASP284C, ASP63C, ASP84B, ASP99C, GLN108B, GLN205B, GLN209B, GLN213B, GLN230B, GLN273C, GLN285C, GLN76C, GLN77B, GLN78C, GLU104B, GLU117B, GLU142B, GLU194B, GLU214B, GLU214C, GLU215B, GLU229B, GLU270C, GLU313C, GLU314C, GLY152B, GLY197B, GLY276C, GLY71C, GLY72C, HIS190B, ILE144B, ILE204B, ILE220B, ILE228B, ILE61C, LEU120B, LEU139B, LEU140B, LEU191B, LEU195B, LEU281C, LEU290C, LEU293C, LEU309C, LEU70C, LEU83C, LYS103B, LYS134B, LYS196B, LYS211B, LYS218B, LYS317C, PHE105B, PHE149B, PHE154C, PHE279C, PHE79C, PRO151B, PRO277C, PRO312C, PRO315C, PRO65C, SER111B, SER133B, SER227B, SER75C, THR114B, THR155C, THR292C, THR311C, THR59C, THR66C, TRP112B, TRP199C, TRP56C, TYR283C, TYR308C, TYR74C, VAL158C, VAL216B, VAL275C, VAL316C, VAL67C
• C-D: ALA110C, ALA135C, ALA137C, ALA138C, ALA157D, ALA187C, ALA198C, ALA200C, ALA201C, ALA208C, ALA217C, ALA219C, ALA274D, ALA278D, ALA288D, ALA60D, ARG115C, ARG116C, ARG156C, ARG156D, ARG177D, ARG186C, ARG202C, ARG212C, ARG223C, ARG224C, ARG268D, ARG287D, ARG307D, ARG310D, ARG318D, ARG64D, ASN145C, ASN159D, ASN173D, ASN192C, ASN226C, ASN271D, ASN286D, ASN291D, ASN68D, ASN82D, ASP113C, ASP136C, ASP141C, ASP153C, ASP160C, ASP193C, ASP280C, ASP280D, ASP282C, ASP282D, ASP284D, ASP63D, ASP84C, ASP99D, GLN108C, GLN205C, GLN209C, GLN213C, GLN230C, GLN273D, GLN285D, GLN76D, GLN78D, GLU100C, GLU104C, GLU117C, GLU142C, GLU194C, GLU214C, GLU215C, GLU229C, GLU270D, GLU313D, GLU314D, GLY152C, GLY197C, GLY276D, GLY71D, GLY72D, HIS190C, ILE144C, ILE150C, ILE204C, ILE220C, ILE228C, ILE61D, LEU109C, LEU120C, LEU139C, LEU140C, LEU191C, LEU195C, LEU272D, LEU281D, LEU290D, LEU293D, LEU309D, LEU80C, LEU83D, LYS103C, LYS134C, LYS196C, LYS211C, LYS218C, LYS317D, PHE105C, PHE149C, PHE154C, PHE154D, PHE279D, PHE79D, PRO151C, PRO277D, PRO312D, PRO315D, PRO65D, SER111C, SER133C, SER189C, SER227C, SER75D, THR114C, THR155C, THR155D, THR203C, THR292D, THR311D, THR59D, THR66D, TRP112C, TRP199C, TRP199D, TRP56D, TYR283D, TYR308D, TYR74D, VAL106C, VAL158C, VAL158D, VAL216C, VAL275D, VAL316D, VAL67D, VAL85C
• D-E: ALA110D, ALA135D, ALA137D, ALA138D, ALA157E, ALA187D, ALA198D, ALA200D, ALA201D, ALA208D, ALA217D, ALA219D, ALA274E, ALA278E, ALA288E, ALA60E, ARG115D, ARG116D, ARG156E, ARG177E, ARG186D, ARG202D, ARG212D, ARG223D, ARG224D, ARG268E, ARG287E, ARG307E, ARG310E, ARG318E, ARG64E, ASN145D, ASN159E, ASN173E, ASN192D, ASN226D, ASN271E, ASN286E, ASN291E, ASN68E, ASN82E, ASP113D, ASP136D, ASP141D, ASP193D, ASP280D, ASP280E, ASP282D, ASP282E, ASP284E, ASP63E, ASP84D, ASP99E, GLN108D, GLN205D, GLN209D, GLN213D, GLN230D, GLN273E, GLN285E, GLN76E, GLN77D, GLN78E, GLU104D, GLU117D, GLU142D, GLU194D, GLU214D, GLU214E, GLU215D, GLU270E, GLU313E, GLU314E, GLY152D, GLY197D, GLY276E, GLY71E, GLY72E, HIS190D, ILE144D, ILE150D, ILE204D, ILE220D, ILE228D, ILE61E, LEU120D, LEU139D, LEU140D, LEU191D, LEU195D, LEU281E, LEU290E, LEU293E, LEU309E, LEU70E, LEU80D, LEU83E, LYS103D, LYS134D, LYS196D, LYS211D, LYS218D, LYS317E, PHE105D, PHE149D, PHE154E, PHE279E, PHE79E, PRO151D, PRO277E, PRO312E, PRO315E, PRO65E, SER111D, SER133D, SER189D, SER227D, SER75E, THR114D, THR155E, THR292E, THR311E, THR59E, THR66E, TRP112D, TRP199D, TRP199E, TRP56E, TYR283E, TYR308E, TYR74E, VAL106D, VAL158E, VAL216D, VAL275E, VAL316E, VAL67E, VAL85D
• E-F: ALA110E, ALA135E, ALA137E, ALA138E, ALA157F, ALA169F, ALA187E, ALA198E, ALA200E, ALA201E, ALA208E, ALA217E, ALA219E, ALA274F, ALA278F, ALA288F, ALA60F, ARG115E, ARG116E, ARG156F, ARG177F, ARG186E, ARG202E, ARG212E, ARG223E, ARG224E, ARG268F, ARG287F, ARG307F, ARG310F, ARG318F, ARG64F, ASN145E, ASN159F, ASN192E, ASN226E, ASN271F, ASN286F, ASN291F, ASN68F, ASN82F, ASP113E, ASP136E, ASP141E, ASP153E, ASP160E, ASP193E, ASP280E, ASP280F, ASP282E, ASP282F, ASP284F, ASP63F, ASP84E, ASP99F, GLN108E, GLN205E, GLN209E, GLN213E, GLN230E, GLN285F, GLN76F, GLN77E, GLN78F, GLU104E, GLU117E, GLU142E, GLU194E, GLU214E, GLU215E, GLU229E, GLU270F, GLU313F, GLU314F, GLY152E, GLY197E, GLY276F, GLY71F, GLY72F, HIS190E, ILE144E, ILE150E, ILE204E, ILE220E, ILE228E, ILE61F, LEU109E, LEU120E, LEU139E, LEU140E, LEU191E, LEU195E, LEU281F, LEU290F, LEU293F, LEU309F, LEU80E, LEU83F, LYS103E, LYS134E, LYS196E, LYS211E, LYS218E, LYS317F, PHE149E, PHE154E, PHE154F, PHE279F, PHE79F, PRO151E, PRO170F, PRO277F, PRO312F, PRO315F, PRO65F, SER111E, SER133E, SER189E, SER227E, SER75F, THR114E, THR155E, THR155F, THR292F, THR311F, THR59F, THR66F, TRP112E, TRP199E, TRP199F, TRP56F, TYR221E, TYR283F, TYR308F, TYR74F, VAL106E, VAL158F, VAL216E, VAL275F, VAL316F, VAL67F, VAL85E
• F-G: ALA110F, ALA135F, ALA137F, ALA138F, ALA157G, ALA187F, ALA198F, ALA200F, ALA201F, ALA208F, ALA217F, ALA219F, ALA274G, ALA278G, ALA288G, ALA60G, ARG115F, ARG116F, ARG156G, ARG177G, ARG186F, ARG202F, ARG212F, ARG223F, ARG224F, ARG268G, ARG287G, ARG307G, ARG310G, ARG318G, ARG64G, ASN145F, ASN159G, ASN173G, ASN192F, ASN226F, ASN271G, ASN286G, ASN291G, ASN68G, ASN82G, ASP113F, ASP136F, ASP141F, ASP193F, ASP280F, ASP280G, ASP282F, ASP282G, ASP284G, ASP63G, ASP84F, ASP99G, GLN108F, GLN205F, GLN209F, GLN213F, GLN230F, GLN285G, GLN76G, GLN77F, GLN78G, GLU104F, GLU117F, GLU142F, GLU194F, GLU214F, GLU214G, GLU215F, GLU229F, GLU270G, GLU313G, GLU314G, GLY152F, GLY197F, GLY276G, GLY71G, GLY72G, HIS190F, ILE144F, ILE204F, ILE220F, ILE228F, ILE61G, LEU120F, LEU139F, LEU140F, LEU191F, LEU195F, LEU272G, LEU281G, LEU290G, LEU293G, LEU309G, LEU80F, LEU83G, LYS103F, LYS134F, LYS196F, LYS211F, LYS218F, LYS317G, PHE105F, PHE149F, PHE279G, PHE79G, PRO151F, PRO277G, PRO312G, PRO315G, PRO65G, SER111F, SER133F, SER189F, SER227F, SER75G, THR114F, THR292G, THR311G, THR59G, THR66G, TRP112F, TRP199F, TRP199G, TRP56G, TYR283G, TYR308G, TYR74G, VAL106F, VAL158G, VAL216F, VAL275G, VAL316G, VAL67G, VAL85F
• G-H: ALA110G, ALA135G, ALA137G, ALA138G, ALA157H, ALA169H, ALA187G, ALA198G, ALA200G, ALA201G, ALA208G, ALA217G, ALA219G, ALA274H, ALA278G, ALA278H, ALA288H, ALA60H, ARG115G, ARG116G, ARG156G, ARG156H, ARG177H, ARG186G, ARG202G, ARG212G, ARG223G, ARG224G, ARG268H, ARG287H, ARG307H, ARG310H, ARG318H, ARG64H, ASN145G, ASN159H, ASN192G, ASN226G, ASN271H, ASN286H, ASN291H, ASN68H, ASN82H, ASP113G, ASP136G, ASP141G, ASP153G, ASP160G, ASP193G, ASP280G, ASP280H, ASP282G, ASP282H, ASP284H, ASP63H, ASP84G, GLN108G, GLN205G, GLN209G, GLN213G, GLN230G, GLN285H, GLN76H, GLN78H, GLU104G, GLU117G, GLU142G, GLU194G, GLU214G, GLU215G, GLU270H, GLU313H, GLU314H, GLY152G, GLY197G, GLY276H, GLY71H, GLY72H, HIS190G, ILE144G, ILE150G, ILE204G, ILE220G, ILE228G, ILE61H, LEU120G, LEU139G, LEU140G, LEU191G, LEU195G, LEU281H, LEU290H, LEU293H, LEU309H, LEU80G, LEU83H, LYS103G, LYS134G, LYS196G, LYS211G, LYS218G, LYS317H, PHE105G, PHE149G, PHE154G, PHE154H, PHE279H, PHE79H, PRO151G, PRO277H, PRO312H, PRO315H, PRO65H, SER111G, SER133G, SER189G, SER227G, SER75H, THR114G, THR155G, THR155H, THR292H, THR311H, THR59H, THR66H, TRP112G, TRP199G, TRP199H, TRP56H, TYR283H, TYR308H, TYR74H, VAL106G, VAL158H, VAL216G, VAL275H, VAL316H, VAL67H, VAL85G