2G7U

2.3 a structure of putative catechol degradative operon regulator from rhodococcus sp. rha1

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 197
  • Norm. En. per Res.: -3.9422
• 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	-37.9413	-40.9283	-697.744	-776.6137	197	20	27	28418	5	59	44
A-C	0.0	0.0	-14.4142	-14.4142	20	0	0	995	0	5	4
A-D	-41.3989	-28.7352	-143.099	-213.2332	72	6	8	5938	0	16	13
B-C	-23.4006	-40.1069	-154.074	-217.5815	76	6	9	6605	2	17	14
C-D	-17.7957	-57.1213	-523.47	-598.387	185	18	23	22466	3	44	39

Interface residues

• A-B: ALA111A, ALA111B, ALA116B, ALA117B, ALA152A, ALA160A, ALA17A, ALA17B, ALA211A, ALA21A, ALA21B, ALA24A, ALA24B, ALA250A, ALA255A, ALA44A, ALA44B, ALA59A, ALA83A, ALA83B, ALA87A, ALA87B, ALA88B, ALA96B, ARG118B, ARG122B, ARG134A, ARG134B, ARG14A, ARG14B, ARG157A, ARG26A, ARG26B, ARG46A, ARG46B, ARG47A, ARG47B, ARG6A, ARG6B, ARG70A, ARG70B, ARG91B, ASN28A, ASN28B, ASP109A, ASP109B, ASP112A, ASP112B, ASP153A, ASP210A, ASP23A, ASP23B, ASP251A, ASP5A, ASP5A5, ASP7A, ASP7B, CB6.93503-21.69806, CB7.89862-32.02353, GLN100B, GLN10A, GLN10B, GLN25A, GLN25B, GLN53A, GLN53B, GLN76A, GLN76B, GLU13A, GLU13B, GLU156A, GLU161A, GLU37A, GLU37B, GLU80A, GLU80B, GLU86A, GLU86B, GLU94B, GLU97B, GLY106B, GLY110A, GLY110B, GLY132A, GLY132B, GLY15A, GLY15B, GLY212A, GLY213A, GLY253A, GLY56A, GLY56B, GLY75A, GLY75B, HIS209A, HIS77A, HIS77B, HIS82A, HIS82B, ILE12A, ILE12B, ILE48A, ILE48B, ILE74A, ILE74B, ILE85B, ILE9A, ILE9B, LEU105B, LEU108B, LEU146B, LEU19A, LEU19B, LEU20A, LEU20B, LEU248A, LEU49A, LEU49B, LEU50A, LEU50B, LEU52A, LEU52B, LEU55A, LEU55B, LEU67A, LEU67B, LEU72A, LEU72B, LEU84A, LEU92B, LEU93B, LYS54A, LYS54B, PHE16A, PHE16B, PHE22A, PHE22B, PHE254A, PRO120B, PRO151A, PRO27A, PRO27B, PRO29A, PRO43A, PRO43B, PRO69A, PRO69B, PRO90B, SER102B, SER11A, SER11B, SER130B, SER249A, SER66A, SER66B, SER73A, SER73B, SER79A, SER79B, SER81A, SER81B, THR133B, THR214A, THR51A, THR51B, THR68A, THR68B, TRP65A, TYR115B, TYR57A, TYR57B, TYR78A, TYR78B, TYR8A, TYR8B, VAL107B, VAL113B, VAL114A, VAL114B, VAL119B, VAL121B, VAL129B, VAL131B, VAL135B, VAL154A, VAL155A, VAL158A, VAL159A, VAL18A, VAL18B, VAL216A, VAL216B, VAL45A, VAL45B, VAL58A, VAL71A, VAL71B
• A-C: ALA116A, ARG134A, ARG134C, ASP109A, ASP109C, GLY132A, GLY132C, ILE85A, SER130A, SER130C, THR133A, THR133C, TYR115A, TYR115C, VAL114A, VAL114C, VAL129A, VAL129C, VAL131A, VAL131C
• A-D: ALA226A, ALA226D, ALA24D, ARG118A, ARG118D, ARG122A, ARG122D, ARG123A, ARG123D, ARG134A, ARG134D, ARG227A, ARG227D, ASN128A, ASN128D, ASN228A, ASN228D, ASP23D, GLN232A, GLN232D, GLN236D, GLN25D, GLU195A, GLU195D, GLU198A, GLU198D, GLY200A, GLY200D, ILE124A, ILE124D, ILE127A, ILE127D, ILE202A, ILE202D, LEU167A, LEU167D, LEU197A, LEU197D, LEU201A, LEU201D, LYS199A, LYS199D, PRO120A, PRO120D, PRO136A, PRO136D, PRO169A, PRO169D, SER102D, SER126A, SER126D, SER130A, SER130D, SER203D, SER222A, SER222D, SER224A, SER224D, SER225A, SER225D, THR133A, THR133D, THR140A, THR140D, THR229D, TYR115A, TYR115D, VAL121D, VAL129A, VAL129D, VAL135A, VAL135D
• B-C: ALA226B, ALA226C, ALA24B, ARG118B, ARG118C, ARG122B, ARG122C, ARG123B, ARG123C, ARG134B, ARG134C, ARG227B, ARG227C, ARG26B, ASN128B, ASN128C, ASN228B, ASN228C, ASP23B, GLN232B, GLN232C, GLN25B, GLU101C, GLU195B, GLU195C, GLU198B, GLU198C, GLY200B, GLY200C, ILE124B, ILE124C, ILE127B, ILE127C, ILE202B, ILE202C, LEU167B, LEU197B, LEU197C, LEU201B, LEU201C, LEU93C, LYS199B, LYS199C, PRO120C, PRO136B, PRO136C, PRO169B, PRO169C, SER102C, SER126B, SER126C, SER130B, SER130C, SER203B, SER203C, SER222B, SER222C, SER224B, SER224C, SER225B, SER225C, THR133B, THR133C, THR140B, THR140C, THR223C, THR229B, THR229C, TYR115B, TYR115C, VAL119C, VAL121C, VAL129B, VAL129C, VAL135B, VAL135C
• C-D: ALA111C, ALA111D, ALA116D, ALA117D, ALA152C, ALA160C, ALA17C, ALA17D, ALA211C, ALA21C, ALA21D, ALA24C, ALA24D, ALA250C, ALA255C, ALA44C, ALA44D, ALA59C, ALA59D, ALA83C, ALA83D, ALA87D, ALA88D, ALA96D, ARG118D, ARG122D, ARG134C, ARG134D, ARG14C, ARG14D, ARG157C, ARG26C, ARG26D, ARG46C, ARG46D, ARG47C, ARG47D, ARG70C, ARG70D, ARG91D, ASN128D, ASN28C, ASN28D, ASP109C, ASP109D, ASP112C, ASP112D, ASP153C, ASP210C, ASP23C, ASP23D, ASP251C, GLN100D, GLN10C, GLN10D, GLN25C, GLN25D, GLN76C, GLN76D, GLU13C, GLU13D, GLU156C, GLU161C, GLU161D, GLU37D, GLU80C, GLU80D, GLU86C, GLU86D, GLU94D, GLU97D, GLY106D, GLY110C, GLY110D, GLY132D, GLY15C, GLY15D, GLY212C, GLY213C, GLY253C, GLY56C, GLY56D, GLY75C, GLY75D, HIS209C, HIS77C, HIS77D, HIS82C, HIS82D, ILE12C, ILE12D, ILE48C, ILE48D, ILE74C, ILE74D, ILE85D, ILE9C, ILE9D, LEU105D, LEU108C, LEU108D, LEU146D, LEU19C, LEU19D, LEU20C, LEU20D, LEU248C, LEU49C, LEU49D, LEU50C, LEU50D, LEU52C, LEU52D, LEU55C, LEU55D, LEU67C, LEU67D, LEU72C, LEU72D, LEU84C, LEU92D, LEU93D, LYS54C, LYS54D, PHE16C, PHE16D, PHE22C, PHE22D, PHE254C, PRO120D, PRO151C, PRO27C, PRO27D, PRO29C, PRO43C, PRO43D, PRO69C, PRO69D, PRO90D, SER11C, SER11D, SER130D, SER249C, SER66C, SER66D, SER73C, SER73D, SER79C, SER79D, SER81C, SER81D, THR133D, THR214C, THR51C, THR51D, THR68C, THR68D, TRP65C, TYR115D, TYR57C, TYR57D, TYR78C, TYR78D, VAL107D, VAL113C, VAL113D, VAL114C, VAL114D, VAL119D, VAL121D, VAL129D, VAL131D, VAL154C, VAL155C, VAL158C, VAL159C, VAL18C, VAL18D, VAL216C, VAL216D, VAL45C, VAL45D, VAL58C, VAL71C, VAL71D