3ON4

crystal structure of tetr transcriptional regulator from legionella pneumophila

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 147
  • Norm. En. per Res.: -3.0219
• 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	-19.1805	-15.7256	-368.398	-403.3041	146	9	13	16728	3	24	25
A-D	-50.6908	0.0	-268.985	-319.6758	113	11	6	10786	0	23	22
A-E	-8.9778	0.0	-18.1666	-27.1444	19	0	0	719	0	1	1
A-G	0.0	0.0	-16.7168	-16.7168	17	2	0	631	0	0	1
B-C	0.0	6.5326	-41.3001	-34.7675	53	2	1	1739	0	9	12
B-D	0.0	0.0	-16.1837	-16.1837	17	0	0	622	0	0	1
B-E	-62.8624	15.1054	-302.28	-350.037	118	4	5	11589	0	22	22
B-F	-8.8978	0.0	-19.593	-28.4908	19	0	0	819	0	1	1
C-E	0.0	0.0	-0.0106	-0.0106	5	0	0	11	0	0	1
C-H	-22.8814	-8.2315	-364.439	-395.5519	144	13	12	16711	2	26	24
D-G	-23.5334	-16.758	-368.841	-409.1325	147	12	12	16824	3	26	26
E-F	-34.4896	-13.6658	-396.064	-444.2194	147	12	13	17184	2	24	26

Interface residues

• A-B: ALA110A, ALA110B, ALA124A, ALA124B, ALA153A, ALA153B, ALA167A, ALA167B, ALA27A, ALA27B, ARG168A, ARG168B, ARG180A, ARG180B, ASN101A, ASN101B, ASN122B, ASN26A, ASN26B, ASP112A, ASP112B, ASP172A, ASP172B, ASP184A, ASP184B, ASP23A, ASP23B, CYS104A, CYS104B, GLN114A, GLN114B, GLN121A, GLN121B, GLN155A, GLN155B, GLN185A, GLN185B, GLN21A, GLN21B, GLU100A, GLU100B, GLU129A, GLU129B, GLU147A, GLU147B, GLU161A, GLU161B, GLU173A, GLU173B, GLU177A, GLU177B, GLY106A, GLY106B, GLY107A, GLY107B, GLY162A, GLY162B, GLY163A, GLY163B, GLY171A, GLY171B, GLY178A, GLY178B, GLY24A, GLY24B, HIS181A, HIS181B, ILE131A, ILE131B, ILE132A, ILE132B, ILE156A, ILE156B, ILE157A, ILE157B, ILE183A, ILE183B, ILE20A, ILE20B, LEU116A, LEU116B, LEU130A, LEU130B, LEU135A, LEU150A, LEU150B, LEU152A, LEU152B, LEU159A, LEU159B, LEU164A, LEU164B, LEU165A, LEU165B, LEU166A, LEU166B, LEU169A, LEU169B, LEU176A, LEU176B, LEU19A, LEU19B, LYS102A, LYS102B, LYS125A, LYS125B, LYS126A, LYS126B, LYS154A, LYS154B, LYS22A, LYS22B, PHE109A, PHE109B, PHE113A, PHE113B, PHE127A, PHE127B, PHE128A, PHE128B, PHE175A, PHE175B, PHE182A, PHE182B, PHE28A, PHE28B, SER111A, SER111B, SER115A, SER115B, SER151A, SER151B, SER158A, SER158B, THR174A, THR174B, THR186A, THR186B, TYR170A, TYR170B, TYR25A, TYR25B, VAL160A, VAL160B, VAL179A, VAL179B
• A-D: ALA0A, ALA14A, ALA14D, ALA167A, ALA167D, ALA16A, ALA16D, ALA18A, ALA18D, ALA34A, ALA34D, ALA36A, ALA36D, ALA91A, ALA91D, ARG11A, ARG11D, ARG168A, ARG168D, ARG180A, ARG180D, ASN-1A, ASN101A, ASN101D, ASN38A, ASN38D, ASN4A, ASN4D, ASN7A, ASN7D, ASN98A, ASN98D, ASP172A, ASP172D, ASP184D, ASP90A, ASP90D, GLN86A, GLN86D, GLU100A, GLU100D, GLU10A, GLU10D, GLU173A, GLU173D, GLU177A, GLU177D, GLU17A, GLU17D, GLU83D, GLY171A, GLY171D, ILE33A, ILE33D, ILE37A, ILE37D, ILE39A, ILE39D, ILE5A, ILE5D, ILE92A, ILE92D, LEU164A, LEU164D, LEU169A, LEU169D, LEU176A, LEU176D, LEU19A, LEU19D, LEU79D, LEU93A, LEU93D, LEU95A, LEU95D, LYS102A, LYS102D, LYS22A, LYS22D, LYS40A, LYS40D, LYS82D, LYS87A, LYS87D, LYS9A, LYS9D, PHE175A, PHE175D, PHE89A, PHE89D, PRO2A, SER6A, SER6D, SER78D, SER80D, SER99A, SER99D, THR174A, THR174D, THR35A, THR35D, THR8A, THR8D, THR94A, THR94D, THR96A, THR96D, TYR170A, TYR170D, TYR97A, TYR97D, VAL15A, VAL15D
• A-E: ALA110A, ALA34E, ALA36E, ASN122A, ASN38E, ASP32E, GLN114A, GLN121A, GLU129A, ILE33E, ILE37E, ILE39E, LEU116A, LYS125A, LYS31E, LYS40E, PHE113A, THR35E, VAL118A
• A-G: ALA110G, ALA34A, ALA36A, ASN38A, ASP32A, GLN114G, GLN121G, ILE33A, ILE37A, ILE39A, LEU116G, LYS125G, LYS31A, LYS40A, PHE113G, THR35A, VAL118G
• B-C: ALA0B, ALA42C, ALA67C, ALA68C, ASN122B, ASN122C, ASN4C, ASN75B, ASN75C, ASN7B, ASN7C, ASP53C, ASP64B, ASP64C, GLN121C, GLN123B, GLU52C, HIS45B, HIS45C, HIS47B, HIS47C, ILE120C, ILE44B, LEU13B, LYS125B, LYS126B, LYS84B, LYS9B, LYS9C, PHE48B, PRO117C, PRO2B, PRO2C, PRO49B, PRO49C, SER119B, SER119C, SER43B, SER43C, SER60B, SER71B, SER71C, SER74B, SER74C, SER77B, THR141B, THR141C, TRP134C, TYR46B, TYR46C, VAL118B, VAL118C, VAL56C
• B-D: ALA110B, ALA34D, ALA36D, ASN38D, ASP32D, GLN114B, GLN121B, ILE33D, ILE37D, ILE39D, LEU116B, LYS125B, LYS31D, LYS40D, PHE113B, THR35D, VAL118B
• B-E: ALA0B, ALA14B, ALA14E, ALA167B, ALA167E, ALA16B, ALA16E, ALA18B, ALA18E, ALA34B, ALA34E, ALA36B, ALA36E, ALA91B, ALA91E, ARG11B, ARG11E, ARG168B, ARG168E, ARG180B, ARG180E, ASN101B, ASN101E, ASN38B, ASN38E, ASN4B, ASN4E, ASN7B, ASN7E, ASN98B, ASN98E, ASP172B, ASP172E, ASP184E, ASP90B, ASP90E, GLN86B, GLN86E, GLU100B, GLU100E, GLU10B, GLU10E, GLU173B, GLU173E, GLU177B, GLU177E, GLU17B, GLU17E, GLU83E, GLY171B, GLY171E, GLY178B, GLY178E, ILE12B, ILE12E, ILE33B, ILE33E, ILE37B, ILE37E, ILE39B, ILE39E, ILE5B, ILE5E, ILE92B, ILE92E, LEU164B, LEU164E, LEU165E, LEU169B, LEU169E, LEU176B, LEU176E, LEU19B, LEU19E, LEU93B, LEU93E, LEU95B, LEU95E, LYS102B, LYS102E, LYS22B, LYS22E, LYS40B, LYS40E, LYS82E, LYS87B, LYS87E, LYS9B, LYS9E, PHE175B, PHE175E, PHE89B, PHE89E, PRO2B, PRO2E, SER43B, SER6B, SER6E, SER99B, SER99E, THR174B, THR174E, THR35B, THR35E, THR8B, THR8E, THR94B, THR94E, THR96B, THR96E, TYR170B, TYR170E, TYR97B, TYR97E, VAL15B, VAL15E, VAL179B, VAL179E
• B-F: ALA110F, ALA34B, ALA36B, ASN122F, ASN38B, ASP32B, GLN114F, GLN121F, GLU129F, ILE33B, ILE37B, ILE39B, LEU116F, LYS125F, LYS31B, LYS40B, PHE113F, THR35B, VAL118F
• C-E: ARG180E, ASN122C, LYS126C, LYS87E, VAL118C
• C-H: ALA110C, ALA110H, ALA124C, ALA124H, ALA153C, ALA153H, ALA167C, ALA167H, ALA27C, ALA27H, ARG168C, ARG168H, ARG180C, ARG180H, ASN101C, ASN101H, ASN122C, ASN122H, ASN26C, ASN26H, ASP112C, ASP112H, ASP172C, ASP172H, ASP184C, ASP184H, ASP23C, ASP23H, CYS104C, CYS104H, GLN114C, GLN114H, GLN121C, GLN121H, GLN123C, GLN123H, GLN155C, GLN155H, GLN185C, GLN185H, GLN21C, GLN21H, GLU100C, GLU100H, GLU129C, GLU129H, GLU133H, GLU147H, GLU161C, GLU161H, GLU173C, GLU173H, GLU177C, GLU177H, GLY106C, GLY106H, GLY107C, GLY107H, GLY162C, GLY162H, GLY163C, GLY163H, GLY171C, GLY171H, GLY178C, GLY178H, GLY24C, GLY24H, HIS181C, HIS181H, ILE120H, ILE131C, ILE131H, ILE132C, ILE132H, ILE156C, ILE156H, ILE157C, ILE157H, ILE183C, ILE183H, ILE20C, ILE20H, LEU116C, LEU116H, LEU130C, LEU130H, LEU150C, LEU150H, LEU152C, LEU152H, LEU159C, LEU159H, LEU164C, LEU164H, LEU165C, LEU165H, LEU166C, LEU166H, LEU169C, LEU169H, LEU176C, LEU176H, LEU19C, LYS102C, LYS102H, LYS125C, LYS125H, LYS126C, LYS126H, LYS154C, LYS154H, LYS22C, LYS22H, PHE109C, PHE109H, PHE113C, PHE113H, PHE127C, PHE127H, PHE128C, PHE128H, PHE175C, PHE175H, PHE182C, PHE182H, SER111C, SER111H, SER115C, SER115H, SER151C, SER151H, SER158C, SER158H, THR174C, THR174H, THR186C, THR186H, TYR170C, TYR170H, VAL160C, VAL160H, VAL179C, VAL179H
• D-G: ALA110D, ALA110G, ALA124D, ALA124G, ALA153D, ALA153G, ALA167D, ALA167G, ALA27D, ALA27G, ARG168D, ARG168G, ARG180D, ARG180G, ASN101D, ASN101G, ASN122D, ASN122G, ASN26D, ASN26G, ASP112D, ASP112G, ASP172D, ASP172G, ASP184D, ASP184G, ASP23D, ASP23G, CYS104D, CYS104G, GLN114D, GLN114G, GLN121D, GLN121G, GLN123D, GLN155D, GLN155G, GLN185D, GLN185G, GLN21D, GLN21G, GLU100D, GLU100G, GLU129D, GLU129G, GLU147D, GLU147G, GLU161D, GLU161G, GLU173D, GLU173G, GLU177D, GLU177G, GLY106D, GLY106G, GLY107D, GLY107G, GLY162D, GLY162G, GLY163D, GLY163G, GLY171D, GLY171G, GLY178D, GLY178G, GLY24D, GLY24G, HIS181D, HIS181G, ILE131D, ILE131G, ILE132D, ILE132G, ILE156D, ILE156G, ILE157D, ILE157G, ILE183D, ILE183G, ILE20D, ILE20G, LEU116D, LEU116G, LEU130D, LEU135G, LEU150D, LEU150G, LEU152D, LEU152G, LEU159D, LEU159G, LEU164D, LEU164G, LEU165D, LEU165G, LEU166D, LEU166G, LEU169D, LEU169G, LEU176D, LEU176G, LEU19D, LEU19G, LYS102D, LYS102G, LYS125D, LYS125G, LYS126D, LYS126G, LYS154D, LYS154G, LYS22D, LYS22G, PHE109D, PHE109G, PHE113D, PHE113G, PHE127D, PHE127G, PHE128D, PHE128G, PHE175D, PHE175G, PHE182D, PHE182G, PHE28D, SER111D, SER111G, SER115D, SER115G, SER148D, SER151D, SER151G, SER158D, SER158G, THR174D, THR174G, THR186D, THR186G, TYR170D, TYR170G, TYR25D, TYR25G, VAL160D, VAL160G, VAL179D, VAL179G
• E-F: ALA110E, ALA110F, ALA124E, ALA124F, ALA153E, ALA153F, ALA167E, ALA167F, ALA27E, ALA27F, ARG168E, ARG168F, ARG180E, ARG180F, ASN101E, ASN101F, ASN122E, ASN122F, ASN26E, ASN26F, ASP112E, ASP112F, ASP172E, ASP172F, ASP184E, ASP184F, ASP23E, ASP23F, CYS104E, CYS104F, GLN114E, GLN114F, GLN121E, GLN121F, GLN155E, GLN155F, GLN185E, GLN185F, GLN21E, GLN21F, GLU100E, GLU100F, GLU129E, GLU129F, GLU147E, GLU147F, GLU161E, GLU161F, GLU173E, GLU173F, GLU177E, GLU177F, GLY106E, GLY106F, GLY107E, GLY107F, GLY162E, GLY162F, GLY163E, GLY163F, GLY171E, GLY171F, GLY178E, GLY178F, GLY24E, GLY24F, HIS181E, HIS181F, ILE131E, ILE131F, ILE132E, ILE132F, ILE156E, ILE156F, ILE157E, ILE157F, ILE183E, ILE183F, ILE20E, ILE20F, LEU116E, LEU116F, LEU130E, LEU130F, LEU135E, LEU150E, LEU150F, LEU152E, LEU152F, LEU159E, LEU159F, LEU164E, LEU164F, LEU165E, LEU165F, LEU166E, LEU166F, LEU169E, LEU169F, LEU176E, LEU176F, LEU19E, LEU19F, LYS102E, LYS102F, LYS125E, LYS125F, LYS126E, LYS126F, LYS154E, LYS154F, LYS22E, LYS22F, PHE109E, PHE109F, PHE113E, PHE113F, PHE127E, PHE127F, PHE128E, PHE128F, PHE175E, PHE175F, PHE182E, PHE182F, PHE28E, PHE28F, SER111E, SER111F, SER115E, SER115F, SER151E, SER151F, SER158E, SER158F, THR174E, THR174F, THR186E, THR186F, TYR170E, TYR170F, TYR25E, TYR25F, VAL160E, VAL160F, VAL179E, VAL179F