2NQ2

an inward-facing conformation of a putative metal-chelate type abc transporter.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 114
  • Norm. En. per Res.: -3.5068
• 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-C	-12.7742	-32.3944	-317.047	-362.2156	116	9	7	13807	3	18	21
A-B	0.0	38.4864	-334.214	-295.7276	141	8	23	15578	0	2	9
C-D	-65.3778	-21.6803	-389.062	-476.12	138	10	25	16957	1	22	9
B-D	-22.5118	-41.517	-335.745	-399.7739	114	18	7	14133	4	19	21

Interface residues

• A-C: ALA142C, ALA144C, ALA228A, ALA230A, ALA277A, ALA80C, ALA99C, ARG141C, ARG217A, ARG272A, ARG88A, ARG91C, ASN219A, ASN278A, ASN89A, ASN96C, ASP105C, ASP153C, ASP224A, ASP49C, ASP85C, CYS147C, GLN280A, GLN73C, GLN84A, GLU125C, GLU225A, GLU227A, GLY232A, GLY276A, GLY53C, GLY69C, GLY80A, GLY85A, GLY90C, HIS269A, HIS279A, HIS55C, HIS94C, ILE143C, ILE150C, ILE210A, ILE54C, ILE68C, ILE86A, ILE86C, ILE95C, LEU138C, LEU149C, LEU151C, LEU211A, LEU212A, LEU214A, LEU218A, LEU220A, LEU221A, LEU223A, LEU231A, LEU238A, LEU241A, LEU245A, LEU282A, LEU283A, LEU47C, LEU48C, LEU50C, LEU51C, LEU52C, LEU83A, LEU84C, LEU88C, LEU91A, LYS100C, LYS226A, LYS229A, LYS234A, LYS44C, MET89C, PHE70C, PHE74C, PHE75C, PHE79C, PHE87A, PHE98C, PRO101C, PRO237A, PRO268A, PRO284A, PRO72C, PRO78C, PRO90A, SER145C, SER209A, SER213A, SER215A, SER222A, SER281A, SER45C, SER67C, SER76C, SER77C, SER82C, SER92C, THR46C, THR93C, THR97C, TRP216A, TYR106C, TYR81C, VAL233A, VAL242A, VAL71C, VAL81A, VAL82A, VAL87C, VAL92A
• A-B: ALA163A, ALA163B, ALA190A, ALA190B, ALA307A, ALA307B, ALA316A, ALA316B, ALA320A, ALA320B, ASN89A, ASN89B, ASN93B, ASP173A, ASP173B, ASP306B, GLN169A, GLN169B, GLU175A, GLU175B, GLU176A, GLU176B, GLU308A, GLU308B, GLY154A, GLY154B, GLY159A, GLY159B, GLY319A, GLY319B, GLY324A, GLY324B, ILE151A, ILE151B, ILE153A, ILE153B, ILE156A, ILE156B, ILE171A, ILE171B, ILE181A, ILE181B, ILE266B, ILE309A, ILE309B, ILE313A, ILE313B, ILE318A, ILE318B, LEU148A, LEU148B, LEU152A, LEU152B, LEU157A, LEU157B, LEU160A, LEU160B, LEU164A, LEU164B, LEU167A, LEU167B, LEU168A, LEU168B, LEU178A, LEU178B, LEU185A, LEU185B, LEU265A, LEU265B, LEU304A, LEU314A, LEU314B, LEU317A, LEU317B, LEU322A, LEU322B, LEU326A, LEU326B, LEU330A, LEU91A, LEU91B, LYS141A, LYS329B, MET149A, MET149B, MET155A, MET155B, MET186A, MET186B, PHE138A, PHE138B, PHE161A, PHE161B, PHE183A, PHE183B, PHE323A, PHE323B, PRO179A, PRO179B, PRO310A, PRO310B, PRO321A, PRO321B, PRO90A, PRO90B, SER158A, SER158B, SER162A, SER162B, SER166A, SER166B, SER172A, SER172B, SER180A, SER180B, SER188A, SER188B, SER305A, SER305B, SER312A, SER312B, THR174A, THR174B, THR315A, THR315B, TRP184A, TRP262A, TRP262B, TYR170A, TYR170B, TYR328A, TYR328B, VAL165A, VAL165B, VAL182A, VAL182B, VAL325A, VAL325B, VAL327A, VAL327B, VAL92B
• C-D: ALA158C, ALA158D, ALA162C, ALA162D, ALA194C, ALA194D, ALA196C, ALA196D, ALA234C, ALA234D, ARG213C, ASN163C, ASN163D, ASN190C, ASN190D, ASN40C, ASN40D, ASP160C, ASP160D, ASP165C, ASP165D, ASP173C, ASP173D, CYS42C, CYS42D, GLN164C, GLN164D, GLN176C, GLN176D, GLN188C, GLN188D, GLN191C, GLN191D, GLN232C, GLN232D, GLN233C, GLN233D, GLN235C, GLN235D, GLN39C, GLN39D, GLU17C, GLU231D, GLU238C, GLU238D, GLY131C, GLY131D, GLY132D, GLY38C, HIS187C, HIS187D, HIS226C, HIS226D, HIS243C, HIS243D, ILE166C, ILE166D, ILE172C, ILE172D, ILE195C, ILE195D, ILE33C, ILE33D, LEU159C, LEU159D, LEU161C, LEU161D, LEU168C, LEU168D, LEU170C, LEU170D, LEU171C, LEU171D, LEU221C, LEU221D, LEU224C, LEU224D, LEU227C, LEU227D, LEU247C, LEU247D, LEU251C, LEU251D, LEU252C, LEU252D, LYS204D, LYS237C, LYS237D, LYS249C, LYS249D, MET229C, MET229D, PHE225C, PHE225D, PHE230C, PHE230D, PHE240C, PHE240D, PHE241C, PHE241D, PHE244C, PHE244D, PRO189C, PRO189D, PRO228C, PRO228D, PRO246C, PRO246D, SER130C, SER130D, SER157C, SER157D, SER169C, SER169D, SER218C, SER218D, SER239C, SER239D, THR156C, THR156D, THR222C, THR222D, THR242C, THR242D, THR250C, THR250D, TYR236C, TYR236D, TYR248C, TYR248D, VAL167C, VAL167D, VAL192C, VAL192D, VAL193C, VAL193D, VAL245C, VAL245D
• B-D: ALA109D, ALA142D, ALA144D, ALA228B, ALA230B, ALA277B, ALA80D, ALA99D, ARG141D, ARG217B, ARG272B, ARG88B, ARG91D, ASN219B, ASN278B, ASN89B, ASN96D, ASP105D, ASP153D, ASP224B, ASP49D, ASP85D, CYS147D, GLN280B, GLN73D, GLN84B, GLU125D, GLU225B, GLU227B, GLY232B, GLY276B, GLY53D, GLY69D, GLY80B, GLY85B, GLY90D, HIS269B, HIS279B, HIS55D, HIS94D, ILE150D, ILE210B, ILE54D, ILE68D, ILE86B, ILE86D, ILE95D, LEU138D, LEU151D, LEU211B, LEU212B, LEU214B, LEU218B, LEU220B, LEU221B, LEU223B, LEU231B, LEU238B, LEU241B, LEU245B, LEU282B, LEU283B, LEU48D, LEU50D, LEU51D, LEU52D, LEU83B, LEU84D, LEU88D, LEU91B, LYS100D, LYS102D, LYS226B, LYS229B, LYS234B, MET89D, PHE70D, PHE74D, PHE75D, PHE79D, PHE87B, PHE98D, PRO101D, PRO237B, PRO268B, PRO284B, PRO72D, PRO78D, PRO90B, SER145D, SER209B, SER213B, SER215B, SER222B, SER281B, SER45D, SER67D, SER76D, SER77D, SER82D, SER92D, THR46D, THR93D, THR97D, TRP216B, TYR106D, TYR14D, TYR81D, VAL233B, VAL71D, VAL81B, VAL82B, VAL87D, VAL92B