3L34

the crystal structure of a two-component sensor domain (2nd form) from pseudomonas aeruginosa pa01

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 44
  • Norm. En. per Res.: -3.8231
• Hub Node: A(5)

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	-38.4164	-6.414	-615.701	-660.5314	189	14	42	27264	0	34	37
A-C	0.0	-1.3315	-32.3844	-33.7159	27	0	1	1386	0	13	13
A-D	-4.2152	29.5777	-107.094	-81.7315	62	1	1	4343	0	21	24
A-F	0.0	40.3554	-8.2917	32.0637	17	0	0	498	0	6	12
A-G	0.0	0.0	-0.0222	-0.0222	3	0	0	12	0	0	1
B-F	0.0	0.0	-2.0881	-2.0881	11	0	0	188	0	5	5
B-G	-17.1184	-12.8633	-125.736	-155.7177	46	6	4	4863	0	14	14
B-H	0.0	0.0	-3.2663	-3.2663	6	0	0	94	0	0	3
C-D	-25.0712	-25.8093	-580.985	-631.8655	183	10	36	25518	2	29	36
C-E	-19.4013	-65.1487	-83.6671	-168.2171	44	5	3	3383	14	16	12
C-F	0.0	0.0	-0.0035	-0.0035	3	0	0	6	0	0	2
D-E	0.0	0.0	-0.0011	-0.0011	3	0	0	3	0	0	2
E-F	-19.8731	-40.2838	-572.154	-632.3109	188	20	40	25555	2	33	37
F-G	0.0	-2.3587	-36.7512	-39.1099	27	0	1	1446	0	13	13
F-H	-5.4886	27.7709	-111.387	-89.1047	60	0	1	4312	0	21	22
G-H	-11.2223	-20.3892	-531.538	-563.1496	179	14	41	24426	0	29	36

Interface residues

• A-B: ALA102A, ALA102B, ALA105A, ALA105B, ALA106A, ALA106B, ALA113A, ALA113B, ALA119A, ALA119B, ALA123A, ALA123B, ALA127A, ALA127B, ALA130A, ALA130B, ALA138A, ALA138B, ALA153A, ALA153B, ALA155A, ALA155B, ALA160A, ALA160B, ALA41A, ALA51A, ALA51B, ARG111A, ARG111B, ARG143A, ARG143B, ARG145A, ARG145B, ARG45A, ARG45B, ARG60A, ARG60B, ARG95A, ASN132A, ASN132B, ASN140A, ASN140B, ASP100A, ASP100B, ASP108A, ASP108B, ASP112A, ASP112B, ASP131A, ASP131B, ASP133A, ASP133B, ASP148A, ASP148B, GLN104A, GLN104B, GLN116A, GLN116B, GLN118A, GLN118B, GLN147A, GLN147B, GLN150A, GLN150B, GLN151A, GLN151B, GLN42A, GLN42B, GLN44A, GLN57A, GLN57B, GLN58A, GLN58B, GLN61A, GLN61B, GLN66A, GLN66B, GLN84A, GLN84B, GLU103A, GLU103B, GLU126A, GLU137A, GLU137B, GLU159A, GLU159B, GLU161B, GLU43A, GLU43B, GLU54A, GLU54B, GLY109A, GLY109B, GLY134A, GLY134B, GLY141A, GLY141B, GLY156A, GLY156B, GLY64A, GLY64B, GLY94A, GLY94B, HIS120A, HIS120B, HIS48A, HIS48B, HIS49A, HIS49B, ILE157A, ILE157B, ILE53A, ILE53B, LEU107A, LEU107B, LEU115A, LEU115B, LEU117A, LEU117B, LEU124A, LEU124B, LEU125A, LEU125B, LEU142A, LEU142B, LEU144A, LEU144B, LEU146A, LEU146B, LEU149A, LEU149B, LEU152A, LEU152B, LEU154A, LEU154B, LEU59A, LEU59B, LEU62A, LEU62B, LEU63A, LEU63B, LEU67A, LEU67B, LEU70A, LEU70B, LEU71A, LEU71B, LEU80A, LEU80B, LEU91A, LEU91B, PHE135A, PHE135B, PHE139A, PHE139B, PHE87A, PHE87B, PRO122A, PRO122B, PRO128A, PRO128B, SER101A, SER101B, SER136A, SER136B, SER158A, SER158B, SER47A, SER47B, SER56A, SER56B, THR121A, THR121B, THR162B, THR52A, THR52B, THR98A, THR98B, TYR114A, TYR114B, TYR50A, TYR50B, VAL110A, VAL110B, VAL55A, VAL55B, VAL68A, VAL68B, VAL90A
• A-C: ALA102C, ALA105C, ALA106C, ALA113C, ALA79A, ARG45C, ARG82A, ARG89A, ASN85A, ASP100C, ASP108C, ASP76A, ASP86A, GLN104C, GLN78A, GLN93A, GLU103C, GLU81A, GLY109C, GLY77A, HIS49C, ILE69A, LEU107C, LEU80A, SER101C, SER83A, VAL110C
• A-D: ALA138D, ALA153D, ALA155D, ALA51A, ALA79A, ALA79D, ALA96A, ARG143D, ARG145D, ARG72D, ARG82A, ARG88A, ARG89A, ARG95A, ASN140D, ASN85A, ASN97A, ASP133D, ASP148D, ASP65D, ASP76A, ASP76D, ASP86A, GLN104A, GLN147D, GLN150D, GLN151D, GLN58A, GLN61D, GLN78A, GLN84A, GLN93A, GLU137D, GLU159D, GLU81A, GLU92A, GLY141D, GLY156D, GLY77A, GLY94A, HIS48A, ILE157D, ILE69D, LEU142D, LEU144D, LEU146D, LEU149D, LEU152D, LEU154D, LEU62A, LEU80A, LEU91A, PHE139D, PHE87A, SER136D, SER158D, SER83A, THR74D, THR98A, VAL68D, VAL90A, VAL99A
• A-F: ALA155A, ARG72F, ASN132F, ASP131F, ASP133F, ASP148A, ASP76F, GLN147A, GLN151A, GLU137F, GLU159A, GLU73F, LEU149A, LEU152A, PRO75F, SER158A, THR74F
• A-G: ALA160A, GLU159A, SER101G
• B-F: ALA102B, ALA105B, ALA106B, ASP100B, ASP76F, GLN78F, GLU103B, GLY77F, PRO75F, SER101B, THR74F
• B-G: ALA102B, ALA102G, ALA105B, ALA105G, ALA41B, ALA41G, ALA96B, ALA96G, ARG45B, ARG45G, ARG95B, ARG95G, ASN40B, ASN40G, ASN97B, ASN97G, ASP100B, ASP100G, GLN104B, GLN104G, GLN42B, GLN42G, GLN44B, GLN44G, GLN93B, GLN93G, GLU103B, GLU103G, GLU43B, GLU43G, GLU92B, GLU92G, GLY94B, GLY94G, HIS48B, HIS48G, HIS49B, HIS49G, SER101B, SER101G, SER39B, SER39G, THR98B, THR98G, VAL99B, VAL99G
• B-H: ALA102B, ASP100B, GLU159H, GLY156H, SER101B, VAL99B
• C-D: ALA102C, ALA102D, ALA105C, ALA105D, ALA106C, ALA106D, ALA113C, ALA113D, ALA119C, ALA119D, ALA123C, ALA123D, ALA127C, ALA127D, ALA130C, ALA130D, ALA138C, ALA138D, ALA153C, ALA153D, ALA155C, ALA155D, ALA160C, ALA160D, ALA51C, ALA51D, ARG111C, ARG111D, ARG143C, ARG143D, ARG145C, ARG145D, ARG45C, ARG45D, ARG60C, ARG60D, ARG72D, ASN132C, ASN132D, ASN140C, ASN140D, ASP100C, ASP100D, ASP108C, ASP108D, ASP112C, ASP112D, ASP131C, ASP131D, ASP133C, ASP133D, ASP148C, ASP148D, GLN104C, GLN104D, GLN116C, GLN116D, GLN118C, GLN118D, GLN147C, GLN147D, GLN150C, GLN150D, GLN151C, GLN151D, GLN42C, GLN57C, GLN57D, GLN58C, GLN58D, GLN61C, GLN61D, GLN66C, GLN66D, GLN84C, GLN84D, GLU103C, GLU103D, GLU126C, GLU126D, GLU137C, GLU137D, GLU159C, GLU159D, GLU43C, GLU54C, GLU54D, GLY109C, GLY109D, GLY134C, GLY134D, GLY141C, GLY141D, GLY156C, GLY156D, GLY64C, GLY64D, GLY94C, GLY94D, HIS120C, HIS120D, HIS48C, HIS48D, HIS49C, HIS49D, ILE157C, ILE157D, ILE53C, ILE53D, LEU107C, LEU107D, LEU115C, LEU115D, LEU117C, LEU117D, LEU124C, LEU124D, LEU125C, LEU125D, LEU142C, LEU142D, LEU144C, LEU144D, LEU146C, LEU146D, LEU149C, LEU149D, LEU152C, LEU152D, LEU154C, LEU154D, LEU59C, LEU59D, LEU62C, LEU62D, LEU63C, LEU63D, LEU67C, LEU67D, LEU70C, LEU70D, LEU71C, LEU71D, LEU80C, LEU80D, LEU91C, LEU91D, PHE135C, PHE135D, PHE139C, PHE139D, PHE87C, PHE87D, PRO122C, PRO122D, PRO128C, PRO128D, SER101C, SER101D, SER136C, SER136D, SER158C, SER158D, SER47C, SER47D, SER56C, SER56D, THR121C, THR121D, THR52C, THR52D, THR98C, THR98D, TYR114C, TYR114D, TYR50C, TYR50D, VAL110C, VAL110D, VAL55C, VAL55D, VAL68C, VAL90D
• C-E: ALA113C, ALA113E, ALA119C, ALA119E, ALA123C, ALA123E, ARG111C, ARG111E, ARG88C, ARG88E, ARG95C, ARG95E, ASN85C, ASN85E, ASP108C, ASP108E, ASP112C, ASP112E, GLN116C, GLN116E, GLN118C, GLN118E, GLN84C, GLN84E, GLU126C, GLU126E, GLU81C, GLU81E, GLU92C, GLU92E, HIS120C, HIS120E, LEU115C, LEU115E, LEU117C, LEU117E, LEU125C, LEU125E, PRO122C, PRO122E, THR121C, THR121E, TYR114C, TYR114E
• C-F: ALA138F, GLN116C, GLY134F
• D-E: ALA138D, GLN116E, GLY134D
• E-F: ALA102E, ALA102F, ALA105E, ALA105F, ALA106E, ALA106F, ALA113E, ALA113F, ALA119E, ALA119F, ALA123E, ALA123F, ALA127E, ALA127F, ALA130E, ALA130F, ALA138E, ALA138F, ALA153E, ALA153F, ALA155E, ALA155F, ALA160E, ALA160F, ALA41E, ALA41F, ALA51E, ALA51F, ARG111E, ARG111F, ARG143E, ARG143F, ARG145E, ARG145F, ARG45E, ARG45F, ARG60E, ARG60F, ASN132E, ASN132F, ASN140E, ASN140F, ASP100E, ASP100F, ASP108E, ASP108F, ASP112E, ASP112F, ASP131E, ASP131F, ASP133E, ASP133F, ASP148E, ASP148F, GLN104E, GLN104F, GLN116E, GLN116F, GLN118E, GLN118F, GLN147E, GLN147F, GLN150E, GLN150F, GLN151E, GLN151F, GLN42E, GLN42F, GLN44F, GLN57E, GLN57F, GLN58E, GLN58F, GLN61E, GLN61F, GLN66E, GLN66F, GLN84E, GLN84F, GLU103E, GLU103F, GLU126F, GLU137E, GLU137F, GLU159E, GLU159F, GLU161E, GLU43E, GLU43F, GLU54E, GLU54F, GLY109E, GLY109F, GLY134E, GLY134F, GLY141E, GLY141F, GLY156E, GLY156F, GLY64E, GLY64F, GLY94E, GLY94F, HIS120E, HIS120F, HIS48E, HIS48F, HIS49E, HIS49F, ILE157E, ILE157F, ILE53E, ILE53F, LEU107E, LEU107F, LEU115E, LEU115F, LEU117E, LEU117F, LEU124E, LEU124F, LEU125E, LEU142E, LEU142F, LEU144E, LEU144F, LEU146E, LEU146F, LEU149E, LEU149F, LEU152E, LEU152F, LEU154E, LEU154F, LEU59E, LEU59F, LEU62E, LEU62F, LEU63E, LEU63F, LEU67E, LEU67F, LEU70E, LEU70F, LEU71E, LEU71F, LEU80E, LEU80F, LEU91E, LEU91F, PHE135E, PHE135F, PHE139E, PHE139F, PHE87E, PHE87F, PRO122E, PRO122F, PRO128E, PRO128F, SER101E, SER101F, SER136E, SER136F, SER158E, SER158F, SER39E, SER47E, SER47F, SER56E, SER56F, THR121E, THR121F, THR52E, THR52F, THR98E, THR98F, TYR114E, TYR114F, TYR50E, TYR50F, VAL110E, VAL110F, VAL55E, VAL55F, VAL68E, VAL68F, VAL90F
• F-G: ALA102G, ALA105G, ALA106G, ALA113G, ALA79F, ARG45G, ARG82F, ARG89F, ASN85F, ASP100G, ASP108G, ASP76F, ASP86F, GLN104G, GLN78F, GLN93F, GLU103G, GLU81F, GLY109G, GLY77F, HIS49G, LEU107G, LEU80F, SER101G, SER83F, THR52G, VAL110G
• F-H: ALA138H, ALA153H, ALA155H, ALA51F, ALA79F, ALA79H, ALA96F, ARG143H, ARG145H, ARG72H, ARG82F, ARG82H, ARG88F, ARG89F, ARG95F, ASN140H, ASN85F, ASN97F, ASP133H, ASP148H, ASP65H, ASP76F, ASP76H, ASP86F, GLN104F, GLN147H, GLN150H, GLN151H, GLN58F, GLN61H, GLN78F, GLN84F, GLN93F, GLU137H, GLU159H, GLU81F, GLU92F, GLY141H, GLY156H, GLY77F, GLY94F, ILE157H, ILE69H, LEU142H, LEU144H, LEU146H, LEU149H, LEU152H, LEU154H, LEU62F, LEU80F, LEU91F, PHE139H, PHE87F, SER136H, SER158H, SER83F, THR98F, VAL68H, VAL90F
• G-H: ALA102G, ALA102H, ALA105G, ALA105H, ALA106G, ALA106H, ALA113G, ALA113H, ALA119G, ALA119H, ALA123G, ALA123H, ALA127G, ALA127H, ALA130G, ALA130H, ALA138G, ALA138H, ALA153G, ALA153H, ALA155G, ALA155H, ALA51G, ALA51H, ARG111G, ARG111H, ARG143G, ARG143H, ARG145G, ARG145H, ARG45G, ARG45H, ARG60G, ARG60H, ASN132G, ASN132H, ASN140G, ASN140H, ASP100G, ASP100H, ASP108G, ASP108H, ASP112G, ASP112H, ASP131G, ASP131H, ASP133G, ASP133H, ASP148G, ASP148H, GLN104G, GLN104H, GLN116G, GLN116H, GLN118G, GLN118H, GLN147G, GLN147H, GLN150G, GLN150H, GLN151G, GLN151H, GLN42G, GLN57G, GLN57H, GLN58G, GLN58H, GLN61G, GLN61H, GLN66G, GLN66H, GLN84G, GLN84H, GLU103G, GLU103H, GLU126H, GLU137G, GLU137H, GLU159G, GLU159H, GLU54G, GLU54H, GLY109G, GLY109H, GLY134G, GLY134H, GLY141G, GLY141H, GLY156G, GLY156H, GLY64G, GLY64H, GLY94G, GLY94H, HIS120G, HIS120H, HIS48G, HIS48H, HIS49G, HIS49H, ILE157G, ILE157H, ILE53G, ILE53H, LEU107G, LEU107H, LEU115G, LEU115H, LEU117G, LEU117H, LEU124G, LEU124H, LEU125G, LEU125H, LEU142G, LEU142H, LEU144G, LEU144H, LEU146G, LEU146H, LEU149G, LEU149H, LEU152G, LEU152H, LEU154G, LEU154H, LEU59G, LEU59H, LEU62G, LEU62H, LEU63G, LEU63H, LEU67G, LEU67H, LEU70G, LEU70H, LEU71G, LEU71H, LEU80G, LEU80H, LEU91G, LEU91H, PHE135G, PHE135H, PHE139G, PHE139H, PHE87G, PHE87H, PRO122G, PRO122H, PRO128G, PRO128H, SER101G, SER101H, SER136G, SER136H, SER158G, SER158H, SER47G, SER47H, SER56G, SER56H, THR121G, THR121H, THR52G, THR52H, THR98G, THR98H, TYR114G, TYR114H, TYR50G, TYR50H, VAL110G, VAL110H, VAL55G, VAL55H, VAL68G, VAL68H, VAL90H