2F1M

conformational flexibility in the multidrug efflux system protein acra

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 97
  • Norm. En. per Res.: -2.4686
• Hub Node: A(1)

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	-39.9312	-26.2039	-276.814	-342.949	158	10	8	13174	3	35	28
B-D	-25.9797	-75.6702	-137.809	-239.4589	97	11	3	6530	4	22	27
C-D	-56.4101	-9.9937	-283.539	-349.9428	159	24	7	13399	4	36	30

Interface residues

• A-B: ALA103A, ALA108A, ALA113A, ALA115A, ALA115B, ALA117A, ALA118A, ALA119A, ALA122A, ALA146B, ALA148B, ALA150B, ALA153B, ALA155B, ALA156B, ALA159B, ALA160B, ALA162B, ALA163B, ALA167B, ALA172B, ALA193A, ALA200B, ALA202B, ALA62A, ALA62B, ALA66B, ALA99A, ARG128A, ARG168B, ARG183A, ARG277B, ARG59A, ARG64B, ARG69B, ARG79A, ASN120A, ASN127A, ASN154B, ASN170B, ASN197B, ASN80A, ASP106A, ASP111A, ASP144B, ASP149B, ASP215B, ASP264B, ASP268B, ASP284A, ASP86A, ASP97A, GLN102A, GLN116A, GLN141B, GLN145B, GLN151B, GLN152B, GLN196A, GLN196B, GLN199B, GLN207A, GLN207B, GLN208B, GLN269B, GLN71B, GLU142B, GLU165B, GLU191A, GLU261B, GLU67B, GLU83A, GLY110A, GLY185A, GLY192A, GLY198B, GLY272B, GLY290A, GLY74A, GLY84A, HIS285A, ILE121A, ILE169B, ILE180B, ILE184A, ILE274B, ILE279B, ILE65A, ILE65B, ILE75A, ILE76A, ILE96A, LEU112A, LEU124A, LEU132A, LEU147B, LEU194A, LEU209A, LEU276B, LEU77A, LYS109A, LYS114A, LYS131A, LYS140B, LYS161B, LYS186A, LYS78A, LYS82A, PHE262B, PHE292A, PHE81A, PRO179B, PRO289A, PRO70B, PRO98A, SER107A, SER139B, SER178B, SER187A, SER219B, SER249A, SER263B, SER273B, SER61A, SER61B, SER73A, SER85A, THR100A, THR104A, THR125A, THR158B, THR166B, THR177B, THR190A, THR201B, THR205B, THR266B, THR270B, THR271B, THR275B, THR286A, THR60A, TYR101A, TYR105A, TYR129A, TYR143B, TYR173B, TYR213B, TYR63B, VAL157B, VAL176B, VAL189A, VAL195A, VAL206B, VAL265B, VAL267B, VAL68B, VAL72B
• B-D: ALA113B, ALA113D, ALA117B, ALA117D, ALA119B, ALA119D, ALA160B, ALA160D, ALA167D, ALA89B, ALA89D, ARG168B, ARG168D, ARG296B, ARG296D, ASN120B, ASN120D, ASN127B, ASN127D, ASN154B, ASN154D, ASN282B, ASN282D, ASP210B, ASP210D, ASP257B, ASP257D, ASP284B, ASP284D, ASP86B, ASP86D, GLN116B, GLN116D, GLN123B, GLN123D, GLN256B, GLN256D, GLU165B, GLU165D, GLU88B, GLU88D, GLY251B, GLY251D, GLY90B, GLY90D, HIS285B, HIS285D, ILE169B, ILE169D, ILE247B, ILE247D, ILE252B, ILE252D, ILE87B, LEU112B, LEU112D, LEU124D, LEU246D, LEU93B, LYS109B, LYS109D, LYS114D, LYS161B, LYS161D, LYS175B, LYS175D, LYS243B, LYS253B, LYS253D, PHE254B, PHE254D, PRO255B, PRO255D, PRO281B, PRO281D, PRO283B, PRO283D, SER181B, SER181D, SER245D, SER85B, SER85D, SER92B, SER92D, THR177B, THR177D, THR248B, THR286B, THR286D, TYR105B, TYR105D, VAL157B, VAL157D, VAL164B, VAL164D, VAL91B, VAL91D
• C-D: ALA103C, ALA108C, ALA113C, ALA115C, ALA115D, ALA117C, ALA118C, ALA119C, ALA122C, ALA146D, ALA148D, ALA150D, ALA153D, ALA155D, ALA156D, ALA159D, ALA160D, ALA162D, ALA163D, ALA167D, ALA172D, ALA193C, ALA200D, ALA202D, ALA62D, ALA66D, ALA99C, ARG128C, ARG168D, ARG183C, ARG277D, ARG59C, ARG59D, ARG64D, ARG69D, ARG79C, ASN120C, ASN127C, ASN154D, ASN170D, ASN197D, ASN80C, ASP106C, ASP111C, ASP144D, ASP149D, ASP215D, ASP264D, ASP268D, ASP284C, ASP86C, ASP97C, GLN102C, GLN116C, GLN123C, GLN141D, GLN145D, GLN151D, GLN152D, GLN196C, GLN196D, GLN199D, GLN207C, GLN207D, GLN208D, GLN269D, GLN71D, GLU142D, GLU165D, GLU191C, GLU261D, GLU67D, GLU83C, GLY110C, GLY185C, GLY192C, GLY198D, GLY272D, GLY290C, GLY74C, GLY84C, HIS285C, ILE121C, ILE169D, ILE180D, ILE184C, ILE274D, ILE279D, ILE65D, ILE75C, ILE76C, ILE96C, LEU112C, LEU124C, LEU132C, LEU147D, LEU194C, LEU209C, LEU77C, LYS109C, LYS114C, LYS131C, LYS140D, LYS161D, LYS186C, LYS78C, LYS82C, PHE262D, PHE292C, PHE81C, PRO179D, PRO211D, PRO289C, PRO70D, PRO98C, SER107C, SER178D, SER187C, SER219D, SER249C, SER263D, SER273D, SER61C, SER61D, SER73C, SER85C, THR100C, THR104C, THR125C, THR158D, THR166D, THR177D, THR190C, THR201D, THR205C, THR205D, THR266D, THR271D, THR275D, THR286C, THR60C, TYR101C, TYR105C, TYR129C, TYR143D, TYR173D, TYR213D, TYR63D, VAL126C, VAL157C, VAL157D, VAL164D, VAL189C, VAL195C, VAL206D, VAL265D, VAL267D, VAL68D, VAL72D