2QKO

crystal structure of transcriptional regulator rha06399 from rhodococcus sp. rha1

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 190
  • Norm. En. per Res.: -3.5069
• Hub Node: A(3)

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	-66.5234	-48.657	-539.086	-654.2664	187	17	29	23616	20	56	57
A-C	0.0	-2.8402	-67.0474	-69.8876	33	1	0	2614	0	17	14
A-D	-25.8916	7.3173	-39.8887	-58.463	34	5	0	1612	4	8	18
B-C	0.0	0.0	-1.0788	-1.0788	8	3	0	177	0	4	4
B-D	0.0	-1.6721	-67.4168	-69.0889	33	1	0	2589	0	17	14
C-D	-70.2707	-52.1013	-543.938	-666.31	190	18	29	23668	20	56	58

Interface residues

• A-B: ALA105A, ALA105B, ALA113A, ALA113B, ALA156A, ALA156B, ALA159A, ALA159B, ALA181A, ALA181B, ALA187A, ALA187B, ALA189A, ALA189B, ALA193A, ALA193B, ALA20A, ALA20B, ALA24A, ALA24B, ARG100A, ARG100B, ARG110A, ARG110B, ARG115A, ARG115B, ARG116A, ARG120A, ARG120B, ARG125A, ARG125B, ARG147A, ARG147B, ARG178A, ARG178B, ARG186A, ARG186B, ARG21A, ARG21B, ARG25A, ARG25B, ASN158A, ASN158B, ASP146A, ASP146B, ASP175A, ASP175B, ASP182A, ASP182B, ASP192A, ASP192B, GLN107A, GLN107B, GLN90A, GLN90B, GLU108A, GLU108B, GLU112A, GLU112B, GLU129A, GLU129B, GLU163A, GLU163B, GLU172A, GLU172B, GLU177A, GLU177B, GLU22A, GLU22B, GLU83A, GLU83B, GLY145A, GLY145B, GLY169A, GLY169B, GLY173A, GLY173B, GLY23A, GLY23B, GLY26A, GLY26B, HIS138A, HIS138B, HIS164A, HIS164B, HIS62A, HIS62B, ILE127A, ILE127B, ILE135A, ILE135B, ILE161A, ILE161B, ILE61A, ILE61B, ILE86A, ILE86B, LEU104A, LEU104B, LEU106A, LEU106B, LEU109A, LEU109B, LEU111A, LEU111B, LEU119A, LEU119B, LEU123A, LEU123B, LEU131A, LEU131B, LEU151A, LEU151B, LEU153A, LEU153B, LEU155A, LEU155B, LEU160A, LEU160B, LEU165A, LEU165B, LEU167A, LEU167B, LEU171A, LEU171B, LEU179A, LEU179B, LEU183A, LEU183B, LEU19A, LEU19B, LEU82A, LEU82B, LYS132A, LYS132B, PHE93A, PHE93B, PRO144A, PRO144B, PRO168A, PRO168B, PRO191A, PRO191B, SER128A, SER128B, SER148A, SER148B, THR121A, THR121B, THR122A, THR122B, THR124A, THR124B, THR126A, THR126B, THR149A, THR149B, THR166A, THR166B, THR176A, THR176B, THR185A, THR185B, THR190A, THR190B, TYR103A, TYR103B, TYR154A, TYR154B, VAL114A, VAL114B, VAL150A, VAL150B, VAL162A, VAL162B, VAL170A, VAL170B, VAL174A, VAL174B, VAL180A, VAL180B, VAL184A, VAL184B, VAL188A, VAL188B, VAL18A, VAL18B
• A-C: ARG133A, ARG147A, ARG178C, ASN130A, ASP134A, ASP140A, ASP146A, ASP175C, GLU129A, GLU172C, GLU177C, GLY136A, GLY145A, GLY169C, GLY173C, HIS138A, HIS164C, ILE135A, LEU131A, LEU139A, LEU151A, LEU171C, LYS132A, PHE137A, PRO168C, SER128A, SER148A, THR149A, THR176C, THR190A, VAL150A, VAL170C, VAL174C
• A-D: ALA193A, ALA193D, ARG125A, ARG125D, ARG133A, ARG133D, ARG147A, ARG147D, ASP192A, ASP192D, GLU129A, GLU129D, ILE127A, ILE127D, ILE135A, ILE135D, LEU131A, LEU131D, LEU139A, LEU139D, LEU151A, LEU151D, LYS132A, LYS132D, LYS59A, LYS59D, SER128A, SER128D, THR121A, THR121D, THR124A, THR124D, THR126A, THR126D
• B-C: ARG178B, ARG178C, ARG186B, ARG186C, ASP175B, ASP175C, ASP182B, ASP182C
• B-D: ARG133D, ARG147D, ARG178B, ASN130D, ASP134D, ASP140D, ASP146D, ASP175B, GLU129D, GLU172B, GLU177B, GLY136D, GLY145D, GLY169B, GLY173B, HIS138D, HIS164B, ILE135D, LEU131D, LEU139D, LEU151D, LEU171B, LYS132D, PHE137D, PRO168B, SER128D, SER148D, THR149D, THR176B, THR190D, VAL150D, VAL170B, VAL174B
• C-D: ALA105C, ALA105D, ALA113C, ALA113D, ALA156C, ALA156D, ALA159C, ALA159D, ALA181C, ALA181D, ALA187C, ALA187D, ALA189C, ALA189D, ALA193C, ALA193D, ALA20C, ALA20D, ALA24C, ALA24D, ARG100C, ARG100D, ARG110C, ARG110D, ARG115C, ARG115D, ARG116C, ARG116D, ARG120C, ARG120D, ARG125C, ARG125D, ARG147C, ARG147D, ARG178C, ARG178D, ARG186C, ARG186D, ARG21C, ARG21D, ARG25C, ARG25D, ASN158C, ASN158D, ASP146C, ASP146D, ASP175C, ASP175D, ASP182C, ASP182D, ASP192C, ASP192D, GLN107C, GLN107D, GLN90C, GLN90D, GLU108C, GLU108D, GLU112C, GLU112D, GLU129C, GLU129D, GLU163C, GLU163D, GLU172C, GLU172D, GLU177C, GLU177D, GLU22C, GLU22D, GLU83C, GLU83D, GLY145C, GLY145D, GLY169C, GLY169D, GLY173C, GLY173D, GLY23C, GLY23D, GLY26C, GLY26D, HIS138C, HIS138D, HIS164C, HIS164D, HIS62C, HIS62D, ILE127C, ILE127D, ILE135C, ILE135D, ILE161C, ILE161D, ILE61C, ILE61D, ILE86C, ILE86D, LEU104C, LEU104D, LEU106C, LEU106D, LEU109C, LEU109D, LEU111C, LEU111D, LEU119C, LEU119D, LEU123C, LEU123D, LEU131C, LEU131D, LEU151C, LEU151D, LEU153C, LEU153D, LEU155C, LEU155D, LEU160C, LEU160D, LEU165C, LEU165D, LEU167C, LEU167D, LEU171C, LEU171D, LEU179C, LEU179D, LEU183C, LEU183D, LEU19C, LEU19D, LEU82C, LEU82D, LYS132C, LYS132D, PHE93C, PHE93D, PRO144C, PRO144D, PRO168C, PRO168D, PRO191C, PRO191D, SER128C, SER128D, SER148C, SER148D, THR101C, THR101D, THR121C, THR121D, THR122C, THR122D, THR124C, THR124D, THR126C, THR126D, THR149C, THR149D, THR166C, THR166D, THR176C, THR176D, THR185C, THR185D, THR190C, THR190D, TYR103C, TYR103D, TYR154C, TYR154D, VAL114C, VAL114D, VAL150C, VAL150D, VAL162C, VAL162D, VAL170C, VAL170D, VAL174C, VAL174D, VAL180C, VAL180D, VAL184C, VAL184D, VAL188C, VAL188D, VAL18C, VAL18D