2NP5

crystal structure of a transcriptional regulator (rha1_ro04179) from rhodococcus sp. rha1.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 104
  • Norm. En. per Res.: -3.2059
• 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	-21.0703	-11.2318	-399.126	-431.4281	159	15	25	18308	5	24	27
A-D	0.0	0.0	-8.0378	-8.0378	10	0	0	384	0	1	1
B-C	0.0	0.0	-0.0116	-0.0116	3	0	0	9	0	0	0
B-D	-41.17	-14.5848	-450.376	-506.1307	158	15	27	19473	4	21	27
C-D	-31.7256	-74.875	-226.809	-333.4096	104	5	3	9550	8	36	35

Interface residues

• A-C: ALA103A, ALA103C, ALA107A, ALA107C, ALA108A, ALA108C, ALA110A, ALA110C, ALA113A, ALA113C, ALA114A, ALA114C, ALA120A, ALA120C, ALA146A, ALA150A, ALA150C, ALA151A, ALA151C, ALA155A, ALA155C, ALA161A, ALA161C, ALA164A, ALA164C, ALA169C, ALA179A, ALA179C, ALA22A, ALA22C, ALA23A, ALA23C, ARG101C, ARG112A, ARG112C, ARG123A, ARG123C, ARG124A, ARG124C, ARG131A, ARG131C, ARG149A, ARG149C, ASP158A, ASP158C, ASP163A, ASP163C, ASP181A, ASP181C, GLN183A, GLN183C, GLN189A, GLN189C, GLU121A, GLU121C, GLU145A, GLU145C, GLU147A, GLU147C, GLU177C, GLU24A, GLU24C, GLU28A, GLU28C, GLY159A, GLY159C, GLY166A, GLY166C, GLY185A, GLY185C, GLY190A, GLY26A, GLY26C, GLY29A, GLY29C, HIS104A, HIS104C, HIS178A, HIS178C, ILE122A, ILE130A, ILE165A, ILE165C, ILE182A, ILE182C, ILE184A, ILE184C, ILE187A, ILE187C, LEU119A, LEU119C, LEU127A, LEU127C, LEU152A, LEU152C, LEU153A, LEU153C, LEU154A, LEU154C, LEU160A, LEU160C, LEU162A, LEU162C, LEU170A, LEU170C, LEU176A, LEU176C, LEU180A, LEU180C, LEU27A, LEU27C, LEU93A, LEU93C, LYS125A, LYS125C, LYS53A, LYS53C, PHE109A, PHE109C, PHE128A, PHE128C, PHE57A, PHE57C, PRO117A, PRO117C, PRO144A, PRO144C, PRO168A, PRO168C, PRO172C, SER100C, SER116A, SER116C, SER135A, SER167A, SER167C, SER25A, SER25C, THR115A, THR115C, THR126A, THR129A, THR143A, THR148A, THR148C, THR156A, THR156C, TYR171A, TYR171C, TYR175A, TYR175C, VAL105A, VAL105C, VAL111A, VAL111C, VAL157A, VAL157C, VAL21A, VAL21C
• A-D: ALA169A, ARG77D, GLU76D, GLY78D, GLY79D, LEU170A, SER167A, SER73D, TYR171A, VAL75D
• B-C: GLY140C, ILE139C, LEU170B
• B-D: ALA103B, ALA103D, ALA107B, ALA107D, ALA108B, ALA108D, ALA110B, ALA110D, ALA113B, ALA113D, ALA114B, ALA114D, ALA120B, ALA120D, ALA146B, ALA146D, ALA150B, ALA150D, ALA151B, ALA151D, ALA155B, ALA155D, ALA161B, ALA161D, ALA164B, ALA164D, ALA169B, ALA169D, ALA179B, ALA179D, ALA22B, ALA23B, ALA23D, ARG101B, ARG101D, ARG112B, ARG112D, ARG123B, ARG123D, ARG124B, ARG124D, ARG131B, ARG131D, ARG149B, ARG149D, ASP158B, ASP158D, ASP163B, ASP163D, ASP181B, ASP181D, GLN183B, GLN183D, GLN189B, GLN189D, GLU121B, GLU121D, GLU145B, GLU145D, GLU147B, GLU147D, GLU177B, GLU177D, GLU24B, GLU24D, GLU28B, GLY159B, GLY159D, GLY166B, GLY166D, GLY185B, GLY185D, GLY190B, GLY26B, GLY26D, GLY29B, HIS104B, HIS104D, HIS178B, HIS178D, ILE122B, ILE122D, ILE130B, ILE165B, ILE165D, ILE182B, ILE182D, ILE184B, ILE184D, ILE187B, ILE187D, LEU119B, LEU119D, LEU127B, LEU127D, LEU152B, LEU152D, LEU153B, LEU153D, LEU154B, LEU154D, LEU160B, LEU160D, LEU162B, LEU162D, LEU170B, LEU170D, LEU176B, LEU176D, LEU180B, LEU180D, LEU27B, LEU27D, LEU93B, LEU93D, LYS125B, LYS125D, PHE109B, PHE109D, PHE128B, PHE128D, PRO117B, PRO117D, PRO144B, PRO144D, PRO168B, PRO168D, PRO172B, PRO172D, SER100B, SER100D, SER116B, SER116D, SER167B, SER167D, SER25B, THR115B, THR115D, THR126B, THR126D, THR129B, THR129D, THR132B, THR148B, THR148D, THR156B, THR156D, TYR171B, TYR171D, TYR175B, TYR175D, VAL105B, VAL105D, VAL111B, VAL111D, VAL157B, VAL157D, VAL21B
• C-D: ALA120C, ALA120D, ALA136C, ALA136D, ALA146C, ALA150C, ALA15C, ALA58D, ALA60D, ALA70C, ALA70D, ALA84C, ALA88C, ARG123D, ARG124C, ARG124D, ARG131C, ARG131D, ARG13D, ARG62C, ARG62D, ARG71C, ARG71D, ARG77C, ARG77D, ASP54D, ASP66C, ASP66D, GLU121C, GLU121D, GLU12C, GLU12D, GLU147C, GLU147D, GLU55D, GLU74C, GLU74D, GLU76C, GLU76D, GLY133C, GLY133D, GLY140C, GLY142C, GLY78C, GLY78D, GLY79C, GLY79D, ILE122C, ILE122D, ILE130C, ILE130D, ILE139C, ILE139D, ILE141C, LEU119D, LEU127C, LEU127D, LEU134C, LEU134D, LEU138C, LEU14D, LEU61D, LEU64C, LEU68C, LEU68D, LEU69C, LEU69D, LEU72C, LEU72D, LYS125C, LYS125D, LYS67C, LYS67D, PHE109D, PHE128C, PHE128D, PHE59C, PHE59D, PRO117C, PRO117D, PRO11C, PRO11D, PRO81C, SER10D, SER118C, SER118D, SER135C, SER135D, SER73C, SER73D, THR126C, THR126D, THR129C, THR129D, THR132C, THR132D, THR63C, THR63D, VAL137C, VAL137D, VAL65C, VAL65D, VAL75C, VAL75D