2D40

crystal structure of z3393 from escherichia coli o157:h7

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 137
  • Norm. En. per Res.: -3.5291
• 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	-66.156	-90.735	-299.265	-456.156	138	16	4	13619	8	51	45
A-D	-6.7943	-8.0078	-365.34	-380.1422	121	19	13	15637	0	4	10
B-C	-13.699	-17.1459	-373.488	-404.3329	122	8	13	15248	1	4	10
C-D	-92.3222	-75.2546	-315.905	-483.4819	137	19	4	13822	9	50	44

Interface residues

• A-B: ALA196A, ALA196B, ALA197A, ALA197B, ALA258A, ALA258B, ALA272A, ALA272B, ALA340A, ALA340B, ARG186A, ARG186B, ARG194A, ARG194B, ARG203A, ARG203B, ARG216A, ARG216B, ARG219A, ARG219B, ARG229A, ARG229B, ARG242A, ARG242B, ARG328A, ARG328B, ARG341A, ARG341B, ASN198A, ASN198B, ASN214A, ASN214B, ASN245A, ASN245B, ASP190A, ASP190B, ASP226A, ASP226B, ASP232A, ASP232B, ASP234A, ASP234B, ASP237A, ASP237B, GLN205B, GLN261A, GLN261B, GLU127B, GLU188A, GLU188B, GLU222A, GLU222B, GLU235A, GLU332A, GLU332B, GLU339A, GLU339B, GLY189A, GLY189B, GLY231A, GLY231B, GLY238B, GLY249A, GLY249B, GLY250A, GLY250B, HIS204A, HIS204B, HIS225A, HIS225B, ILE212A, ILE212B, LEU192A, LEU192B, LEU200A, LEU200B, LEU202A, LEU202B, LEU224A, LEU224B, LEU227A, LEU227B, LEU230A, LEU230B, LEU260A, LEU260B, LYS187A, LYS187B, LYS240A, LYS240B, PHE136A, PHE136B, PHE259A, PHE259B, PHE337A, PHE337B, PRO193A, PRO193B, PRO201A, PRO201B, PRO246A, PRO246B, PRO252A, PRO252B, SER210A, SER210B, SER220A, SER220B, SER324A, SER324B, THR185A, THR185B, THR228A, THR228B, THR248A, THR248B, THR274A, THR274B, TRP236A, TRP236B, TYR191A, TYR191B, TYR195A, TYR195B, TYR215A, TYR215B, TYR239A, TYR239B, TYR243A, TYR243B, TYR251A, TYR251B, VAL223A, VAL223B, VAL244A, VAL244B, VAL247A, VAL247B
• A-D: ALA174A, ALA174D, ALA333A, ALA333D, ALA340A, ALA340D, ALA38A, ALA38D, ALA86A, ALA86D, ARG105A, ARG105D, ARG273A, ARG273D, ARG328A, ARG328D, ARG338A, ARG338D, ASN107A, ASN107D, ASN167A, ASN167D, ASN208A, ASN208D, ASN37A, ASN37D, ASN39A, ASN39D, ASP162A, ASP162D, ASP176A, ASP176D, ASP276A, ASP276D, ASP327A, ASP327D, CYS171A, CYS171D, CYS40A, CYS40D, GLN108A, GLN108D, GLN141A, GLN141D, GLN331A, GLN331D, GLU175A, GLU175D, GLU332A, GLU332D, GLU339A, GLU339D, GLY170A, GLY170D, GLY172A, GLY172D, GLY207D, GLY335A, GLY335D, HIS104A, HIS106A, HIS106D, ILE168A, ILE168D, LEU163A, LEU165A, LEU165D, LEU169A, LEU169D, LEU334A, LEU334D, LEU336A, LEU336D, LEU78A, LEU78D, LEU88A, LEU88D, LYS34D, PHE173A, PHE173D, PHE337A, PHE337D, PRO164A, PRO164D, PRO254A, PRO254D, PRO307A, PRO307D, PRO329A, PRO329D, PRO33D, PRO36A, PRO36D, SER109A, SER109D, SER209A, SER255A, SER255D, SER277A, SER277D, THR274A, THR274D, THR275A, THR275D, THR308A, THR308D, THR35A, THR35D, THR85A, THR85D, THR87A, THR87D, TRP142A, TRP142D, TRP309A, TRP309D, TYR342A, VAL166A, VAL166D, VAL330A, VAL330D
• B-C: ALA174B, ALA174C, ALA333B, ALA333C, ALA340B, ALA340C, ALA38B, ALA38C, ALA86B, ALA86C, ARG105B, ARG105C, ARG273B, ARG273C, ARG328B, ARG328C, ARG338B, ARG338C, ASN107B, ASN107C, ASN167B, ASN167C, ASN208B, ASN208C, ASN37B, ASN37C, ASN39B, ASN39C, ASP162B, ASP162C, ASP176B, ASP276B, ASP276C, ASP327B, ASP327C, CYS171B, CYS171C, CYS40B, CYS40C, GLN108B, GLN108C, GLN141B, GLN141C, GLN331B, GLN331C, GLU175B, GLU175C, GLU332B, GLU332C, GLU339B, GLU339C, GLY170B, GLY170C, GLY172B, GLY172C, GLY207B, GLY207C, GLY335B, GLY335C, HIS104B, HIS106B, HIS106C, ILE168B, ILE168C, LEU163B, LEU165B, LEU165C, LEU169B, LEU169C, LEU334B, LEU334C, LEU336B, LEU336C, LEU78B, LEU78C, LEU88B, LEU88C, LYS34C, PHE173B, PHE173C, PHE337B, PHE337C, PRO164B, PRO164C, PRO178B, PRO254B, PRO254C, PRO307B, PRO307C, PRO329B, PRO329C, PRO33C, PRO36B, PRO36C, SER109B, SER109C, SER255B, SER255C, SER277B, SER277C, THR274B, THR274C, THR275B, THR275C, THR308B, THR308C, THR35C, THR85B, THR85C, THR87B, THR87C, TRP142B, TRP142C, TRP144B, TRP309B, TRP309C, TYR177B, TYR342C, VAL166B, VAL166C, VAL330B, VAL330C
• C-D: ALA196C, ALA196D, ALA197C, ALA197D, ALA258C, ALA258D, ALA272C, ALA272D, ARG186C, ARG186D, ARG194C, ARG194D, ARG203C, ARG203D, ARG216C, ARG216D, ARG219C, ARG219D, ARG229C, ARG229D, ARG242C, ARG242D, ARG328C, ARG328D, ARG341C, ARG341D, ASN198C, ASN198D, ASN214C, ASN214D, ASN245C, ASN245D, ASP190C, ASP190D, ASP226C, ASP226D, ASP232C, ASP232D, ASP234C, ASP234D, ASP237C, ASP237D, GLN205D, GLN261C, GLN261D, GLU127C, GLU127D, GLU188C, GLU188D, GLU222C, GLU222D, GLU235C, GLU235D, GLU332C, GLU332D, GLU339C, GLU339D, GLY189C, GLY189D, GLY231C, GLY231D, GLY238D, GLY249C, GLY249D, GLY250C, GLY250D, HIS204C, HIS204D, HIS225C, HIS225D, ILE212C, ILE212D, LEU192C, LEU192D, LEU200C, LEU200D, LEU202C, LEU202D, LEU224C, LEU224D, LEU227C, LEU227D, LEU230C, LEU230D, LEU260C, LEU260D, LYS187C, LYS187D, LYS240C, LYS240D, PHE136C, PHE136D, PHE259C, PHE259D, PHE337C, PHE337D, PRO193C, PRO193D, PRO201C, PRO201D, PRO246C, PRO246D, PRO252C, PRO252D, SER210C, SER210D, SER220C, SER220D, SER324C, SER324D, THR185C, THR228C, THR228D, THR248C, THR248D, THR274C, THR274D, TRP236C, TRP236D, TYR191C, TYR191D, TYR195C, TYR195D, TYR215C, TYR215D, TYR239C, TYR239D, TYR243C, TYR243D, TYR251C, TYR251D, VAL223C, VAL223D, VAL244C, VAL244D, VAL247C, VAL247D