2ESN

the crystal structure of probable transcriptional regulator pa0477 from pseudomonas aeruginosa

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-B
  • Int. Res.: 145
  • Norm. En. per Res.: -3.6193
• 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-C	-152.1376	-49.3085	-585.291	-786.7371	220	29	27	25051	1	62	54
A-B	0.0	0.0	-0.1545	-0.1545	5	0	0	32	0	3	3
A-D	-34.3047	-67.8214	-359.154	-461.2801	128	21	21	17099	3	43	41
C-B	-65.7142	-47.3601	-411.721	-524.7953	145	25	24	18901	3	54	51
B-D	-132.3211	-64.9381	-547.297	-744.5562	214	25	27	23938	3	58	52

Interface residues

• A-C: ALA104A, ALA104C, ALA105A, ALA105C, ALA110A, ALA110C, ALA112A, ALA112C, ALA125A, ALA125C, ALA135A, ALA135C, ALA18C, ALA202A, ALA202C, ALA219A, ALA228A, ALA228C, ALA236A, ALA236C, ALA237A, ALA237C, ALA241A, ALA241C, ALA254A, ALA254C, ALA257A, ALA257C, ALA259A, ALA259C, ALA261A, ALA261C, ALA262A, ALA262C, ALA28C, ALA29C, ALA33C, ALA36C, ARG120A, ARG120C, ARG129A, ARG129C, ARG131A, ARG131C, ARG137A, ARG148A, ARG161A, ARG181A, ARG181C, ARG186A, ARG186C, ARG200A, ARG200C, ARG216A, ARG21C, ARG220A, ARG224A, ARG224C, ARG225A, ARG225C, ARG23C, ARG256A, ARG256C, ARG57C, ARG61C, ARG99A, ARG99C, ASN119A, ASN119C, ASN134A, ASN134C, ASN208A, ASN208C, ASN24C, ASN60C, ASP107A, ASP107C, ASP156A, ASP210A, ASP210C, ASP215A, ASP245A, ASP245C, ASP303A, GLN122A, GLN122C, GLN230A, GLN230C, GLN63C, GLN98A, GLN98C, GLU136A, GLU136C, GLU157A, GLU158A, GLU160A, GLU209A, GLU209C, GLU226A, GLU226C, GLU260A, GLU260C, GLU31C, GLY127A, GLY127C, GLY212A, GLY222A, GLY242A, GLY242C, GLY26C, GLY59C, HIS123A, HIS123C, HIS159A, HIS184A, HIS184C, HIS201A, HIS201C, HIS22C, ILE149A, ILE149C, ILE214A, ILE34C, LEU113A, LEU113C, LEU114A, LEU114C, LEU117A, LEU117C, LEU121A, LEU121C, LEU130A, LEU130C, LEU132A, LEU132C, LEU217A, LEU218A, LEU223A, LEU231A, LEU231C, LEU235A, LEU235C, LEU238A, LEU238C, LEU240A, LEU240C, LEU258A, LEU258C, LEU32C, LYS138A, MET118A, MET118C, PHE101A, PHE101C, PHE103A, PHE103C, PHE111A, PHE111C, PHE239A, PHE239C, PHE246A, PHE246C, PHE39C, PRO115A, PRO115C, PRO116A, PRO116C, PRO126A, PRO126C, PRO185A, PRO185C, PRO206A, PRO206C, PRO232A, PRO232C, SER124C, SER211A, SER211C, SER243A, SER243C, SER30C, SER35C, SER37C, SER97A, SER97C, THR100A, THR100C, THR106A, THR106C, THR109A, THR109C, THR205A, THR205C, THR233A, THR233C, THR244A, THR244C, THR27C, TRP207A, TRP207C, TYR108A, TYR108C, TYR20C, VAL102A, VAL102C, VAL128A, VAL128C, VAL133A, VAL133C, VAL203A, VAL203C, VAL204C, VAL213A, VAL227A, VAL227C, VAL229A, VAL229C, VAL234A, VAL234C, VAL25C
• A-B: ARG224A, ARG224B, ARG6A, ARG6B, GLU226B
• A-D: ALA145A, ALA28A, ALA29A, ALA29D, ALA33A, ALA33D, ALA68A, ALA68D, ALA72A, ALA72D, ALA73A, ALA73D, ALA74A, ALA74D, ALA76A, ALA76D, ALA77A, ALA77D, ALA78A, ALA78D, ALA81A, ALA81D, ARG129D, ARG21D, ARG289A, ARG45A, ARG47A, ARG67A, ARG67D, ARG6A, ARG6D, ARG7A, ARG7D, ARG80A, ARG80D, ARG90A, ARG90D, ARG99D, ASN11A, ASN11D, ASP17D, ASP290A, ASP51A, ASP51D, ASP52A, ASP52D, ASP9A, ASP9D, GLN285A, GLN48A, GLN48D, GLN66A, GLN66D, GLN98D, GLU31A, GLU31D, GLU53A, GLU53D, GLU69A, GLU69D, GLU84A, GLU84D, GLU87A, GLU87D, GLU88A, GLU88D, GLY147A, GLY288A, GLY49A, GLY49D, GLY83A, GLY83D, GLY85A, GLY85D, HIS283A, HIS70A, HIS70D, ILE34A, ILE34D, LEU10A, LEU10D, LEU12A, LEU12D, LEU13A, LEU13D, LEU14A, LEU14D, LEU32A, LEU32D, LEU46A, LEU46D, LEU4A, LEU4D, LEU50A, LEU50D, LEU54A, LEU54D, LEU5A, LEU5D, LEU71A, LEU71D, LEU79A, LEU79D, LEU82A, LEU82D, LEU86A, LEU86D, LEU8A, LEU8D, PHE16A, PHE16D, PRO3A, PRO3D, PRO91A, PRO91D, SER146A, SER30A, SER30D, SER97D, THR100D, THR65A, THR65D, TRP89A, TRP89D, VAL15A, VAL15D, VAL75A, VAL75D
• C-B: ALA145B, ALA18B, ALA18C, ALA28B, ALA28C, ALA291C, ALA29B, ALA29C, ALA33B, ALA33C, ALA38B, ALA38C, ALA68B, ALA68C, ALA72B, ALA72C, ALA73B, ALA73C, ALA74B, ALA74C, ALA76B, ALA76C, ALA77B, ALA77C, ALA78B, ALA78C, ALA81B, ALA81C, ARG129C, ARG21B, ARG21C, ARG289C, ARG45B, ARG45C, ARG47B, ARG67B, ARG67C, ARG6B, ARG6C, ARG7B, ARG7C, ARG80B, ARG80C, ARG90B, ARG90C, ARG99C, ASN11B, ASN11C, ASP17B, ASP17C, ASP290B, ASP51B, ASP51C, ASP52B, ASP52C, ASP9B, ASP9C, GLN285B, GLN48B, GLN66B, GLN66C, GLN96C, GLN98C, GLU31B, GLU31C, GLU53B, GLU69B, GLU69C, GLU84B, GLU84C, GLU87B, GLU87C, GLU88B, GLU88C, GLY127C, GLY147B, GLY49B, GLY49C, GLY83B, GLY83C, GLY85B, GLY85C, HIS283B, HIS2B, HIS2C, HIS70B, HIS70C, ILE34B, ILE34C, LEU10B, LEU10C, LEU12B, LEU12C, LEU13B, LEU13C, LEU144B, LEU14B, LEU14C, LEU32B, LEU32C, LEU46B, LEU46C, LEU4B, LEU4C, LEU50B, LEU50C, LEU54B, LEU54C, LEU5B, LEU5C, LEU71B, LEU71C, LEU79B, LEU79C, LEU82B, LEU82C, LEU86B, LEU86C, LEU8B, LEU8C, PHE16B, PHE16C, PHE92C, PRO3B, PRO3C, PRO91B, PRO91C, SER146B, SER30B, SER30C, SER35B, SER35C, SER97C, THR100C, THR65B, THR65C, TRP89B, TRP89C, VAL128C, VAL15B, VAL15C, VAL284B, VAL75B, VAL75C, VAL93C
• B-D: ALA104B, ALA104D, ALA105B, ALA105D, ALA110B, ALA110D, ALA112B, ALA112D, ALA125B, ALA125D, ALA135B, ALA135D, ALA18D, ALA202B, ALA202D, ALA219B, ALA228B, ALA228D, ALA236B, ALA236D, ALA237B, ALA237D, ALA241B, ALA241D, ALA254B, ALA254D, ALA257B, ALA257D, ALA259B, ALA259D, ALA261B, ALA261D, ALA262B, ALA262D, ALA28D, ALA29D, ALA33D, ALA36D, ARG120B, ARG120D, ARG129B, ARG129D, ARG131B, ARG131D, ARG137B, ARG161B, ARG181B, ARG181D, ARG186B, ARG186D, ARG200B, ARG200D, ARG216B, ARG21D, ARG220B, ARG224B, ARG225B, ARG23D, ARG256B, ARG256D, ARG57D, ARG61D, ARG99B, ARG99D, ASN119B, ASN119D, ASN134B, ASN134D, ASN208B, ASN208D, ASN24D, ASN60D, ASP107B, ASP107D, ASP17D, ASP210B, ASP210D, ASP215B, ASP245B, ASP245D, GLN122B, GLN122D, GLN230B, GLN230D, GLN58D, GLN63D, GLN98B, GLN98D, GLU136B, GLU136D, GLU157B, GLU158B, GLU160B, GLU209B, GLU209D, GLU226B, GLU226D, GLU260B, GLU260D, GLU31D, GLY127B, GLY127D, GLY212B, GLY222B, GLY242B, GLY242D, GLY26D, GLY59D, HIS123B, HIS123D, HIS184B, HIS184D, HIS201B, HIS201D, HIS22D, ILE149B, ILE214B, ILE34D, LEU113B, LEU113D, LEU114B, LEU114D, LEU117B, LEU117D, LEU121B, LEU121D, LEU130B, LEU130D, LEU132B, LEU132D, LEU217B, LEU218B, LEU223B, LEU231B, LEU231D, LEU235B, LEU235D, LEU238B, LEU238D, LEU240B, LEU240D, LEU258B, LEU258D, LEU32D, MET118B, MET118D, PHE101B, PHE101D, PHE103B, PHE103D, PHE111B, PHE111D, PHE239B, PHE239D, PHE246B, PHE246D, PRO115B, PRO115D, PRO116B, PRO116D, PRO126B, PRO126D, PRO185B, PRO185D, PRO206B, PRO206D, PRO232B, PRO232D, SER124B, SER124D, SER211B, SER211D, SER221B, SER243B, SER243D, SER30D, SER35D, SER97B, SER97D, THR100B, THR100D, THR106B, THR106D, THR109B, THR109D, THR205B, THR205D, THR233B, THR233D, THR244B, THR244D, THR27D, TRP207B, TRP207D, TYR108B, TYR108D, TYR20D, VAL102B, VAL102D, VAL128B, VAL128D, VAL133B, VAL133D, VAL203B, VAL203D, VAL204D, VAL213B, VAL227B, VAL227D, VAL229B, VAL229D, VAL234B, VAL234D, VAL25D