2IA2

the crystal structure of a putative transcriptional regulator rha06195 from rhodococcus sp. rha1

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 151
  • Norm. En. per Res.: -5.065
• 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	0.0	3.6546	-23.1544	-19.4998	38	0	1	1512	0	6	5
A-C	-29.6559	-33.2285	-114.117	-177.0013	63	4	12	4670	0	12	14
A-D	-20.5288	-110.9564	-633.323	-764.8082	151	16	27	25690	7	26	15
B-C	-13.1279	-77.723	-584.434	-675.2849	151	18	24	24190	5	29	20
B-D	-41.6844	-35.7761	-121.581	-199.0416	65	8	12	4822	0	13	15
C-D	0.0	0.0	-0.0347	-0.0347	7	0	0	26	0	4	3

Interface residues

• A-B: ARG126A, ARG126B, ARG142A, ARG142B, ASP117A, ASP117B, ASP120A, ASP120B, GLU94A, GLU94B, GLY140A, GLY140B, ILE115A, ILE115B, ILE121B, ILE139A, ILE139B, LEU143B, LEU92A, PRO128B, PRO93A, PRO93B, SER130B, SER85A, SER89A, SER91A, SER91B, THR138A, THR138B, THR141A, THR141B, TYR123A, TYR123B, TYR86A, VAL122A, VAL122B, VAL124A, VAL124B
• A-C: ALA207A, ALA207C, ALA233A, ALA233C, ALA234A, ALA234C, ARG126A, ARG131A, ARG131C, ARG142A, ARG142C, ARG178C, ARG235A, ARG235C, ARG33C, GLN203A, GLN203C, GLU177C, GLU206A, GLU206C, GLY136A, GLY136C, GLY208A, GLY208C, HIS32C, ILE132A, ILE132C, ILE137A, ILE137C, LEU143A, LEU143C, LEU175A, LEU175C, LEU205A, LEU205C, LEU209A, LEU209C, PRO128A, PRO144A, PRO144C, PRO232A, PRO232C, SER130A, SER130C, SER211A, SER211C, SER230A, SER230C, THR134A, THR134C, THR138C, THR141A, THR141C, THR148A, THR148C, THR176A, THR176C, TYR123A, TYR123C, TYR236A, VAL129A, VAL135A, VAL135C
• A-D: ALA125D, ALA21A, ALA21D, ALA25A, ALA25D, ALA261A, ALA53A, ALA67D, ARG126D, ARG142D, ARG22A, ARG22D, ARG265A, ARG28A, ARG28D, ARG33A, ARG33D, ARG36A, ARG36D, ARG37A, ARG54A, ARG54D, ARG55A, ARG55D, ARG78A, ARG78D, ASN264A, ASN264D, ASN34A, ASN34D, ASP117D, ASP120D, ASP255A, ASP259A, ASP31A, ASP31D, CYS29A, CYS29D, GLN18A, GLN18D, GLN258A, GLN35A, GLN35D, GLN97A, GLN97D, GLU101A, GLU101D, GLU62A, GLU62D, GLU81A, GLU81D, GLU94A, GLU94D, GLY118D, GLY136D, GLY140D, GLY23A, GLY23D, GLY64A, GLY64D, GLY83A, GLY83D, HIS32A, HIS32D, HIS99A, ILE115D, ILE137D, ILE139D, ILE256A, ILE27A, ILE27D, LEU116D, LEU20A, LEU20D, LEU24A, LEU24D, LEU260A, LEU57A, LEU57D, LEU58A, LEU58D, LEU60A, LEU60D, LEU63A, LEU63D, LEU75A, LEU75D, LEU80A, LEU80D, LEU82A, LEU82D, LEU87A, LEU87D, LEU90A, LEU90D, LEU92D, LYS102A, PHE30A, PHE30D, PHE56A, PHE56D, PRO128D, PRO77A, PRO77D, PRO93D, PRO98A, SER19A, SER19D, SER85A, SER85D, SER88A, SER88D, SER89A, SER89D, SER91D, THR138D, THR141D, THR262A, THR52A, THR52D, THR59A, THR59D, THR76A, THR76D, TRP74A, TRP74D, TYR123D, TYR16A, TYR16D, TYR65A, TYR65D, TYR84A, TYR84D, TYR86A, TYR86D, VAL122D, VAL124D, VAL17A, VAL17D, VAL263A, VAL263D, VAL26A, VAL26D, VAL61A, VAL61D, VAL66A, VAL66D, VAL79A, VAL79D, VAL95A, VAL95D
• B-C: ALA125C, ALA21B, ALA21C, ALA25B, ALA25C, ALA261B, ALA51C, ALA53B, ALA67C, ARG126C, ARG142C, ARG22B, ARG22C, ARG265B, ARG28B, ARG28C, ARG33B, ARG33C, ARG36B, ARG36C, ARG37B, ARG54B, ARG54C, ARG55B, ARG55C, ARG78B, ARG78C, ASN264B, ASN34B, ASN34C, ASP117C, ASP120C, ASP255B, ASP259B, ASP31B, ASP31C, ASP69C, CYS29B, CYS29C, GLN18B, GLN18C, GLN258B, GLN35B, GLN35C, GLN97B, GLN97C, GLU101B, GLU62B, GLU81B, GLU81C, GLU94B, GLU94C, GLY118C, GLY140C, GLY23B, GLY23C, GLY64B, GLY64C, GLY70C, GLY83B, GLY83C, HIS105B, HIS32B, HIS32C, HIS99B, ILE115C, ILE121C, ILE137C, ILE139C, ILE256B, ILE27B, ILE27C, LEU116C, LEU20B, LEU20C, LEU24B, LEU24C, LEU260B, LEU57B, LEU57C, LEU58B, LEU58C, LEU60B, LEU60C, LEU63B, LEU63C, LEU75B, LEU75C, LEU80B, LEU80C, LEU82B, LEU82C, LEU87B, LEU87C, LEU90B, LEU90C, LEU92C, LYS102B, PHE30B, PHE30C, PHE56B, PHE56C, PRO128C, PRO77B, PRO77C, PRO93C, PRO98B, SER19B, SER19C, SER85B, SER85C, SER88B, SER88C, SER89B, SER89C, SER91B, SER91C, THR138C, THR141C, THR262B, THR52B, THR52C, THR59B, THR59C, THR68C, THR76B, THR76C, TRP74B, TRP74C, TYR123C, TYR65B, TYR65C, TYR84B, TYR84C, TYR86B, TYR86C, VAL122C, VAL124C, VAL17B, VAL17C, VAL263B, VAL263C, VAL26B, VAL26C, VAL61B, VAL61C, VAL66B, VAL66C, VAL79B, VAL79C, VAL95B
• B-D: ALA207B, ALA207D, ALA233B, ALA233D, ALA234B, ALA234D, ARG126B, ARG131B, ARG131D, ARG142D, ARG178D, ARG210D, ARG235B, ARG235D, ASN228D, GLN203B, GLN203D, GLU177D, GLU206B, GLU206D, GLY136B, GLY136D, GLY208B, GLY208D, HIS32D, ILE121D, ILE132B, ILE132D, ILE137B, ILE137D, LEU143B, LEU143D, LEU175B, LEU175D, LEU205B, LEU205D, LEU209B, LEU209D, PRO144B, PRO144D, PRO232B, PRO232D, SER130B, SER130D, SER211B, SER211D, SER230B, SER230D, THR134B, THR134D, THR138B, THR138D, THR141B, THR141D, THR148B, THR148D, THR176B, THR176D, THR231D, TYR123B, TYR123D, TYR236B, TYR236D, VAL135B, VAL135D
• C-D: ARG37D, ASP41D, SER40C, SER40D, SER71C, THR38C, THR38D