2AMJ

crystal structure of modulator of drug activity b from escherichia coli o157:h7

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 145
  • Norm. En. per Res.: -4.7845
• 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	-72.9244	-86.6899	-534.131	-693.7453	145	17	11	19332	6	40	31
A-D	-6.6358	-16.8128	-24.9101	-48.3587	34	3	0	1628	1	33	34
B-D	0.0	0.0	-0.0119	-0.0119	2	0	0	10	0	1	1
C-D	-67.7518	-18.5618	-478.151	-564.4646	137	17	11	17472	1	37	30

Interface residues

• A-B: ALA138A, ALA138B, ALA142A, ALA142B, ALA165A, ALA165B, ALA85A, ALA85B, ARG110A, ARG110B, ASN137A, ASN137B, ASN166A, ASN166B, ASN180A, ASN180B, ASP108A, ASP108B, ASP147A, ASP147B, ASP156B, ASP181A, ASP181B, ASP94A, ASP94B, ASP95A, ASP95B, GLN148A, GLN148B, GLN167A, GLN167B, GLU141A, GLU141B, GLU145A, GLU145B, GLU99A, GLU99B, GLY100A, GLY100B, GLY109A, GLY109B, GLY120A, GLY120B, GLY122A, GLY122B, GLY123A, GLY123B, GLY152B, GLY154A, GLY154B, GLY157A, GLY157B, GLY170A, GLY170B, GLY80A, GLY80B, GLY84A, GLY84B, HIS101A, HIS101B, HIS151A, HIS151B, HIS163A, HIS163B, ILE183A, ILE183B, ILE93A, ILE93B, LEU104A, LEU104B, LEU160A, LEU160B, LEU169A, LEU169B, LYS118A, LYS118B, LYS164A, LYS164B, LYS184A, LYS184B, LYS22A, LYS90A, LYS90B, LYS91A, LYS91B, PHE143A, PHE143B, PHE149A, PHE149B, PHE150A, PHE150B, PHE162A, PHE162B, PHE168A, PHE168B, PHE97A, PHE97B, PRO139A, PRO139B, PRO161A, PRO161B, PRO173B, PRO79A, PRO79B, PRO86A, PRO86B, SER107A, SER107B, SER121A, SER121B, THR111B, THR88A, THR88B, THR98A, THR98B, TRP136A, TRP136B, TRP81A, TRP81B, TRP82A, TRP82B, TRP87A, TRP87B, TYR105A, TYR105B, TYR119A, TYR119B, TYR159A, TYR159B, TYR59A, TYR59B, TYR92A, TYR92B, VAL153A, VAL153B, VAL155A, VAL155B, VAL158A, VAL158B, VAL182A, VAL182B, VAL89A, VAL89B, VAL96A, VAL96B
• A-D: ALA21D, ALA55D, ARG190A, ARG44D, ARG51D, ARG54D, ASP147A, ASP187A, ASP40D, ASP45D, ASP49D, ASP56D, ASP58D, ASP60D, GLN148A, GLU141A, GLU145A, GLU193A, GLU194A, GLU201A, GLU37D, GLY152A, GLY41D, ILE52D, LYS146A, LYS197A, LYS22D, PHE143A, PRO189A, SER57D, THR144A, THR88D, TYR59D, VAL50D
• B-D: ARG44D, LYS118B
• C-D: ALA138C, ALA138D, ALA142C, ALA142D, ALA165C, ALA165D, ALA85C, ALA85D, ASN137C, ASN137D, ASN166C, ASN166D, ASP108C, ASP147C, ASP147D, ASP181C, ASP181D, ASP94C, ASP94D, ASP95C, ASP95D, GLN148C, GLN148D, GLN167C, GLN167D, GLU141C, GLU141D, GLU145C, GLU145D, GLU99C, GLU99D, GLY100C, GLY100D, GLY120C, GLY120D, GLY122C, GLY122D, GLY123C, GLY123D, GLY152C, GLY152D, GLY154C, GLY154D, GLY157C, GLY157D, GLY170C, GLY170D, GLY80C, GLY80D, GLY84C, GLY84D, HIS101C, HIS101D, HIS151C, HIS151D, HIS163C, HIS163D, ILE183C, ILE93C, ILE93D, LEU104C, LEU104D, LEU160C, LEU160D, LEU169C, LEU169D, LYS117C, LYS118C, LYS118D, LYS164C, LYS164D, LYS184C, LYS184D, LYS22C, LYS22D, LYS90C, LYS90D, LYS91C, LYS91D, PHE143C, PHE143D, PHE149C, PHE149D, PHE150C, PHE150D, PHE162C, PHE162D, PHE168C, PHE168D, PHE97C, PHE97D, PRO139C, PRO139D, PRO161C, PRO161D, PRO173C, PRO173D, PRO79C, PRO79D, PRO86C, PRO86D, SER107C, SER107D, SER121C, SER121D, THR88C, THR88D, THR98C, THR98D, TRP136C, TRP136D, TRP81C, TRP81D, TRP82C, TRP82D, TRP87C, TRP87D, TYR105C, TYR105D, TYR119C, TYR119D, TYR159C, TYR159D, TYR59C, TYR59D, TYR92C, TYR92D, VAL153C, VAL153D, VAL155C, VAL155D, VAL158C, VAL158D, VAL89C, VAL89D, VAL96C, VAL96D