3VEC

rhodococcus jostii rha1 dypb d153a variant in complex with heme

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 71
  • Norm. En. per Res.: -3.6519
• 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	-67.8693	6.1345	-320.788	-382.5227	131	17	6	13127	0	44	48
A-C	-25.6003	-37.5646	-196.119	-259.2838	71	8	3	7542	4	33	38
B-C	-22.7855	45.8162	-63.796	-40.7653	51	2	1	3137	1	20	17

Interface residues

• A-B: ALA19A, ALA19B, ALA20A, ALA20B, ALA248A, ALA248B, ALA255A, ALA255B, ALA51A, ALA51B, ARG112A, ARG112B, ARG121A, ARG121B, ARG141A, ARG141B, ARG146A, ARG146B, ARG55A, ARG55B, ASN195A, ASN195B, ASP114A, ASP114B, ASP135A, ASP135B, ASP144A, ASP144B, ASP147A, ASP147B, CYS116A, CYS116B, GLN122A, GLN122B, GLU118A, GLU118B, GLU136A, GLU136B, GLU254A, GLU254B, GLU256A, GLU256B, GLU56A, GLU56B, GLY120A, GLY120B, GLY139A, GLY139B, GLY150A, GLY150B, GLY250A, GLY250B, GLY253A, GLY253B, GLY258A, GLY258B, GLY53A, GLY53B, HIS138A, HIS138B, ILE108A, ILE108B, ILE123A, ILE123B, LEU115A, LEU115B, LEU119A, LEU119B, LEU148A, LEU148B, LEU149A, LEU149B, LEU211A, LEU211B, LEU22A, LEU22B, LEU24A, LEU24B, LEU252A, LEU252B, LEU26A, LEU26B, LEU61A, LEU61B, LYS113A, LYS113B, LYS210A, LYS210B, MET191A, MET191B, MET247B, PHE106A, PHE106B, PHE117A, PHE117B, PHE140A, PHE140B, PHE143A, PHE143B, PHE23A, PHE23B, PHE249A, PHE249B, PHE54A, PHE54B, SER125A, SER125B, SER145A, SER145B, SER21B, SER251A, SER251B, THR132A, THR132B, TRP194A, TRP194B, TYR142A, TYR142B, TYR257A, TYR257B, VAL124A, VAL124B, VAL133A, VAL133B, VAL134A, VAL134B, VAL137A, VAL137B, VAL25A, VAL52A, VAL52B
• A-C: ALA110C, ALA111C, ALA126A, ALA12A, ALA153C, ALA163C, ALA19C, ALA20C, ALA51A, ALA58A, ALA6A, ALA9A, ARG112A, ARG121A, ARG141C, ARG146C, ARG208C, ARG244C, ARG307A, ARG55A, ARG7A, ASN157C, ASN213C, ASN246C, ASP144C, ASP160C, ASP161C, ASP162C, ASP241C, ASP245C, ASP308A, ASP46A, GLN122A, GLU118A, GLU156C, GLU212C, GLU215C, GLU311A, GLU56A, GLY154C, GLY47A, GLY53A, GLY59A, LEU115A, LEU14C, LEU211C, LEU243C, LEU49A, LEU57A, LEU8A, LYS109C, LYS210C, LYS50A, MET247C, PHE143C, PHE54A, PRO10A, PRO158C, PRO16C, PRO17C, PRO48A, SER125A, SER145C, SER18C, THR155C, THR159C, THR15C, THR209C, VAL152C, VAL214C, VAL52A
• B-C: ARG141B, ARG141C, ARG146B, ARG146C, ARG204B, ASN195B, ASN195C, ASP144B, ASP144C, ASP147B, ASP147C, GLN202B, GLN202C, GLU200B, GLU200C, GLU201B, GLU201C, GLU203B, GLU203C, GLU212B, GLU212C, GLY150B, GLY150C, LEU148B, LEU148C, LEU149B, LEU149C, LEU197B, LEU197C, LEU211B, LEU211C, LYS210B, LYS210C, MET191B, MET191C, PHE143B, PHE143C, PHE151B, PHE151C, SER198B, SER198C, THR199B, THR199C, THR209B, THR209C, TRP194B, TRP194C, TYR142B, TYR142C, VAL152B, VAL152C