3DPJ

the crystal structure of a tetr transcription regulator from silicibacter pomeroyi dss

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 151
  • Norm. En. per Res.: -3.2917
• Hub Node: A(4)

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	-43.1628	-49.3353	-339.589	-432.0871	147	41	9	15207	7	38	40
A-D	-18.5443	11.1726	-60.9736	-68.3453	32	4	0	2461	0	4	4
A-E	0.0	0.0	-1.0627	-1.0627	8	0	0	116	0	2	1
A-F	0.0	18.2568	-11.1365	7.1203	18	0	0	553	0	15	14
B-E	-18.0026	0.0	-71.805	-89.8076	47	6	0	3135	0	8	9
B-F	0.0	0.0	-3.9341	-3.9341	9	1	0	154	0	2	2
C-D	-41.0499	-59.6585	-353.482	-454.1905	148	29	9	15433	8	39	40
C-G	0.0	7.9156	-1.2286	6.687	10	0	0	132	0	2	2
C-H	0.0	14.6102	-8.4479	6.1623	17	0	0	508	0	15	13
D-F	0.0	0.0	-0.0043	-0.0043	3	0	0	6	0	0	1
D-G	-10.5556	5.1214	-84.6002	-90.0345	53	4	0	3546	0	8	9
D-H	0.0	0.0	-2.3922	-2.3922	10	0	0	158	0	2	2
E-F	-50.5819	-80.683	-365.776	-497.0409	151	34	9	15560	8	38	40
F-G	-26.4046	22.3851	-85.903	-89.9224	34	11	0	2877	0	4	4
G-H	-56.7541	-60.7522	-354.084	-471.5903	147	33	7	15215	8	37	39

Interface residues

• A-B: ALA121A, ALA121B, ALA147A, ALA147B, ALA149A, ALA149B, ALA154A, ALA154B, ALA159A, ALA159B, ALA160A, ALA160B, ALA163A, ALA163B, ALA24A, ALA24B, ARG129A, ARG129B, ARG155A, ARG155B, ARG181B, ARG20A, ARG20B, ARG60A, ARG60B, ARG98A, ARG98B, ASN122A, ASN122B, ASP114A, ASP114B, ASP130B, ASP178A, ASP178B, CYS101A, CYS101B, CYS107A, CYS107B, GLN118A, GLN118B, GLN157A, GLN157B, GLN164A, GLN164B, GLN21A, GLN21B, GLN25A, GLN25B, GLU109A, GLU109B, GLU144A, GLU16A, GLU16B, GLU175A, GLU175B, GLY100A, GLY100B, GLY104A, GLY104B, GLY119A, GLY119B, GLY123A, GLY123B, GLY158A, GLY158B, GLY22A, GLY22B, HIS115A, HIS115B, HIS151A, HIS151B, HIS167A, HIS167B, ILE96A, ILE96B, LEU106A, LEU106B, LEU110A, LEU110B, LEU113A, LEU113B, LEU124A, LEU124B, LEU127A, LEU127B, LEU132A, LEU148A, LEU148B, LEU152A, LEU152B, LEU153A, LEU153B, LEU162A, LEU162B, LEU172A, LEU17A, LEU17B, LYS112A, LYS112B, LYS49A, LYS95A, LYS95B, PHE125A, PHE125B, PHE128A, PHE128B, PHE166A, PHE166B, PHE171A, PHE171B, PHE18A, PHE18B, PHE23A, PHE23B, PHE85A, PHE85B, PRO102A, PRO102B, PRO146A, PRO146B, SER105A, SER105B, SER111A, SER111B, SER156A, SER156B, SER165A, SER165B, SER174A, SER174B, THR108A, THR108B, THR126A, THR126B, THR161A, THR161B, THR26B, THR97A, THR97B, TRP182A, TRP182B, TYR19A, TYR19B, TYR99A, TYR99B, VAL103A, VAL103B
• A-D: ALA139A, ALA33D, ALA80A, ARG181A, ARG39D, ARG79A, ASN185A, ASN41D, ASP184A, ASP30D, GLN3D, GLY36D, GLY40D, HIS180A, ILE37D, LEU183A, LEU187A, PHE28D, PHE42D, PRO188A, PRO78A, SER27D, SER32D, SER38D, SER77A, THR186A, THR190A, THR191A, TRP182A, TYR43D, TYR44D, VAL29D
• A-E: ALA147E, ASP168A, GLU144E, PHE166A, PRO146E, SER165A, THR142E, THR143E
• A-F: ALA177A, ALA177F, ARG173A, ARG173F, ARG181A, ARG93A, ARG93F, ASP168A, ASP168F, GLU169A, GLU169F, GLY170A, GLY170F, ILE90A, ILE90F, PHE171F, SER174A, SER174F
• B-E: ALA137B, ALA137E, ALA145B, ALA145E, ALA147B, ALA147E, ALA149B, ARG129B, ARG129E, ARG134B, ARG134E, ASN122B, ASN122E, ASP130B, ASP130E, CYS141B, CYS141E, GLN118E, GLN120B, GLN120E, GLN133B, GLN133E, GLU144B, GLU144E, GLY119B, GLY119E, GLY123B, GLY123E, LEU124B, LEU124E, LEU127B, LEU127E, LEU148B, LEU148E, LEU61B, LEU61E, PHE125B, PHE125E, PRO146B, PRO146E, THR126B, THR126E, THR142B, THR142E, THR143B, THR143E, TRP131E
• B-F: ALA147B, ASP168F, GLU144B, HIS167F, PHE166F, PRO146B, SER165F, THR142B, THR143B
• C-D: ALA121C, ALA121D, ALA147C, ALA147D, ALA149C, ALA149D, ALA154C, ALA154D, ALA159C, ALA159D, ALA160C, ALA160D, ALA163C, ALA163D, ALA24C, ALA24D, ARG129C, ARG129D, ARG155C, ARG155D, ARG181C, ARG181D, ARG20C, ARG20D, ARG60C, ARG60D, ARG98C, ARG98D, ASN122C, ASN122D, ASP114C, ASP114D, ASP130C, ASP130D, ASP168D, ASP178C, ASP178D, CYS101C, CYS101D, CYS107C, CYS107D, GLN118C, GLN118D, GLN157C, GLN157D, GLN164C, GLN164D, GLN21C, GLN21D, GLN25C, GLN25D, GLU109C, GLU109D, GLU144D, GLU16D, GLU175C, GLU175D, GLY100C, GLY100D, GLY104C, GLY104D, GLY119C, GLY119D, GLY123C, GLY123D, GLY158C, GLY158D, GLY22C, GLY22D, HIS115C, HIS115D, HIS151C, HIS151D, HIS167C, HIS167D, ILE96C, ILE96D, LEU106C, LEU106D, LEU110C, LEU110D, LEU113C, LEU113D, LEU124C, LEU124D, LEU127C, LEU127D, LEU132D, LEU148C, LEU148D, LEU152C, LEU152D, LEU153C, LEU153D, LEU162C, LEU162D, LEU17C, LEU17D, LYS112C, LYS112D, LYS49C, LYS95C, LYS95D, PHE125C, PHE125D, PHE128C, PHE128D, PHE166C, PHE166D, PHE171C, PHE171D, PHE18C, PHE18D, PHE23C, PHE23D, PHE85C, PHE85D, PRO102C, PRO102D, PRO146C, PRO146D, SER105C, SER105D, SER111C, SER111D, SER156C, SER156D, SER165C, SER165D, SER174C, SER174D, THR108C, THR108D, THR126C, THR126D, THR161C, THR161D, THR26D, THR97C, THR97D, TRP182C, TRP182D, TYR19C, TYR19D, TYR99C, TYR99D, VAL103C, VAL103D
• C-G: ALA145G, ALA147G, ASP168C, GLU144G, HIS167C, PHE166C, PRO146G, SER165C, THR142G, THR143G
• C-H: ALA177C, ALA177H, ARG173C, ARG173H, ARG181C, ARG93C, ARG93H, ASP168C, ASP168H, GLU169C, GLU169H, GLY170C, GLY170H, ILE90C, ILE90H, SER174C, SER174H
• D-F: ARG20F, ARG98F, LYS47D
• D-G: ALA121G, ALA137D, ALA137G, ALA145D, ALA145G, ALA147D, ALA147G, ALA149D, ALA149G, ARG129D, ARG129G, ARG134D, ARG134G, ASN122D, ASN122G, ASP130D, ASP130G, CYS141D, CYS141G, GLN118D, GLN118G, GLN120D, GLN120G, GLN133D, GLN133G, GLU144D, GLU144G, GLY119D, GLY119G, GLY123D, GLY123G, LEU124D, LEU124G, LEU127D, LEU127G, LEU148D, LEU148G, LEU61D, LEU61G, PHE125D, PHE125G, PHE136D, PHE136G, PRO146D, PRO146G, THR126D, THR126G, THR142D, THR142G, THR143D, THR143G, TRP131D, TRP131G
• D-H: ALA145D, ALA147D, ASP168H, GLU144D, HIS167H, PHE166H, PRO146D, SER165H, THR142D, THR143D
• E-F: ALA121E, ALA121F, ALA147E, ALA147F, ALA149E, ALA149F, ALA154E, ALA154F, ALA159E, ALA159F, ALA160E, ALA160F, ALA163E, ALA163F, ALA177F, ALA24E, ALA24F, ARG129E, ARG129F, ARG155E, ARG155F, ARG181F, ARG20E, ARG20F, ARG60E, ARG60F, ARG98E, ARG98F, ASN122E, ASN122F, ASP114E, ASP114F, ASP130E, ASP130F, ASP168E, ASP168F, ASP178E, ASP178F, CYS101E, CYS101F, CYS107E, CYS107F, GLN118E, GLN118F, GLN157E, GLN157F, GLN164E, GLN164F, GLN21E, GLN21F, GLN25E, GLN25F, GLU109E, GLU109F, GLU16E, GLU16F, GLU175E, GLU175F, GLY100E, GLY100F, GLY104E, GLY104F, GLY119E, GLY119F, GLY123E, GLY123F, GLY158E, GLY158F, GLY22E, GLY22F, HIS115E, HIS115F, HIS151E, HIS151F, HIS167E, HIS167F, ILE96E, ILE96F, LEU106E, LEU106F, LEU110E, LEU110F, LEU113E, LEU113F, LEU124E, LEU124F, LEU127E, LEU127F, LEU132E, LEU148E, LEU148F, LEU152E, LEU152F, LEU153E, LEU153F, LEU162E, LEU162F, LEU17E, LEU17F, LYS112E, LYS112F, LYS49E, LYS95E, LYS95F, PHE125E, PHE125F, PHE128E, PHE128F, PHE166E, PHE166F, PHE171E, PHE171F, PHE18E, PHE18F, PHE23E, PHE23F, PHE85E, PHE85F, PRO102E, PRO102F, PRO146E, PRO146F, SER105E, SER105F, SER111E, SER111F, SER156E, SER156F, SER165E, SER165F, SER174E, SER174F, THR108E, THR108F, THR126E, THR126F, THR161E, THR161F, THR26E, THR26F, THR97E, THR97F, TRP182E, TRP182F, TYR19E, TYR19F, TYR99E, TYR99F, VAL103E, VAL103F, VAL176F
• F-G: ALA33F, ALA80G, ARG181G, ARG39F, ARG79G, ASN185G, ASN41F, ASP184G, ASP30F, CYS141G, GLN3F, GLY36F, GLY40F, HIS180G, ILE31F, ILE37F, LEU183G, LEU187G, LYS49F, PHE28F, PHE42F, PRO188G, SER27F, SER32F, SER38F, SER77G, THR186G, THR190G, THR191G, THR26F, TRP182G, TYR43F, TYR44F, VAL29F
• G-H: ALA121G, ALA121H, ALA147G, ALA147H, ALA149G, ALA149H, ALA154G, ALA154H, ALA159G, ALA159H, ALA160G, ALA160H, ALA163G, ALA163H, ALA24G, ALA24H, ARG129G, ARG129H, ARG155G, ARG155H, ARG181G, ARG181H, ARG20G, ARG20H, ARG60G, ARG60H, ARG98G, ARG98H, ASN122G, ASN122H, ASP114G, ASP114H, ASP130G, ASP168H, ASP178G, ASP178H, CYS101G, CYS101H, CYS107G, CYS107H, GLN118G, GLN118H, GLN157G, GLN157H, GLN164G, GLN164H, GLN21G, GLN21H, GLN25G, GLN25H, GLU109G, GLU109H, GLU16G, GLU16H, GLU175G, GLU175H, GLY100G, GLY100H, GLY104G, GLY104H, GLY119G, GLY119H, GLY123G, GLY123H, GLY158G, GLY158H, GLY22G, GLY22H, HIS115G, HIS115H, HIS151G, HIS151H, HIS167G, HIS167H, ILE96G, ILE96H, LEU106G, LEU106H, LEU110G, LEU110H, LEU113G, LEU113H, LEU124G, LEU124H, LEU127G, LEU127H, LEU148G, LEU148H, LEU152G, LEU152H, LEU153G, LEU153H, LEU162G, LEU162H, LEU17G, LEU17H, LYS112G, LYS112H, LYS49G, LYS95G, LYS95H, PHE125G, PHE125H, PHE128G, PHE128H, PHE166G, PHE166H, PHE171G, PHE171H, PHE18G, PHE18H, PHE23G, PHE23H, PHE85G, PHE85H, PRO102G, PRO102H, PRO146G, PRO146H, SER105G, SER105H, SER111G, SER111H, SER156G, SER156H, SER165G, SER165H, SER174G, SER174H, THR108G, THR108H, THR126G, THR126H, THR161G, THR161H, THR26G, THR26H, THR97G, THR97H, TRP182G, TRP182H, TYR19G, TYR19H, TYR99G, TYR99H, VAL103G, VAL103H