3N24

the crystal structure of a two-component sensor domain (3rd form) from pseudomonas aeruginosa pa01

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 171
  • Norm. En. per Res.: -3.5131
• 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	-16.8239	5.3432	-555.472	-566.9527	163	14	34	24303	0	29	32
A-C	0.0	0.0	-0.091	-0.091	5	0	0	28	0	1	1
A-D	0.0	0.0	-0.0008	-0.0008	4	0	0	2	0	1	2
A-G	0.0	4.7053	-2.9908	1.7146	21	0	1	372	0	5	9
B-D	0.0	3.6225	-0.9169	2.7056	9	0	0	107	0	5	3
B-G	-15.3777	9.6184	-71.3845	-77.1438	48	3	3	2754	2	20	15
B-H	-16.1395	24.754	-117.909	-109.2945	93	4	1	4948	5	22	35
C-D	-10.7871	43.5353	-547.597	-514.8488	173	14	33	24964	0	34	35
C-E	-8.152	5.196	-4.1702	-7.1262	28	1	1	540	0	7	9
D-E	0.0	-11.8517	-84.1623	-96.014	58	0	3	3431	4	21	14
D-F	-14.9588	21.8934	-114.935	-108.0004	102	5	2	5108	5	21	32
D-G	0.0	0.0	-10.9247	-10.9247	15	3	1	448	0	5	2
E-F	-3.4657	2.0976	-561.017	-562.3852	169	27	34	25328	1	29	34
F-G	-7.7726	-14.6508	-29.5851	-52.0085	25	5	0	1260	0	7	10
G-H	-25.6325	-2.2483	-572.865	-600.7458	171	26	38	25498	2	31	31

Interface residues

• A-B: ALA102A, ALA105A, ALA105B, ALA106A, ALA106B, ALA113A, ALA113B, ALA119A, ALA119B, ALA123A, ALA138A, ALA138B, ALA153A, ALA153B, ALA155A, ALA155B, ALA160B, ALA164B, ALA51A, ALA51B, ARG111A, ARG111B, ARG143A, ARG143B, ARG145A, ARG145B, ARG45A, ARG60A, ARG60B, ARG95A, ASN132A, ASN132B, ASN140A, ASN140B, ASP100A, ASP108A, ASP108B, ASP112A, ASP112B, ASP131B, ASP133A, ASP133B, ASP148A, ASP148B, GLN104A, GLN104B, GLN116A, GLN116B, GLN118A, GLN118B, GLN147A, GLN147B, GLN150A, GLN150B, GLN151A, GLN151B, GLN57A, GLN57B, GLN58A, GLN58B, GLN61A, GLN61B, GLN66A, GLN66B, GLN84A, GLN84B, GLU103A, GLU103B, GLU137A, GLU137B, GLU159B, GLU161B, GLU43A, GLU54A, GLU54B, GLU73B, GLY109A, GLY109B, GLY134A, GLY134B, GLY141A, GLY141B, GLY156A, GLY156B, GLY64A, GLY64B, GLY94A, HIS120A, HIS120B, HIS48A, HIS49A, HIS49B, ILE157A, ILE157B, ILE53A, ILE53B, LEU107A, LEU107B, LEU115A, LEU115B, LEU117A, LEU117B, LEU124A, 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, SER101A, SER136A, SER136B, SER158A, SER158B, SER163B, SER47A, SER56A, SER56B, THR121A, THR121B, THR52A, THR52B, THR98A, TYR114A, TYR114B, TYR50A, TYR50B, VAL110A, VAL110B, VAL55A, VAL55B, VAL68A, VAL68B
• A-C: ALA160C, ASP112A, GLN116A, LEU115A, SER163C
• A-D: ALA102D, ALA123A, HIS120A, HIS49D
• A-G: ALA102A, ALA102G, ALA105A, ALA105G, ALA106A, ALA113A, ARG111G, ASP100A, ASP100G, ASP108G, ASP112A, ASP112G, GLN104G, GLN116A, GLN116G, GLY109A, HIS120A, LEU117A, SER101G, VAL110A, VAL99G
• B-D: ALA102D, ASN132B, ASP131B, ASP133B, GLN104D, GLU103D, GLU73B, GLY134B, HIS48D
• B-G: ALA102G, ALA105G, ALA106G, ALA113G, ALA138B, ALA155B, ARG143B, ARG145B, ARG45G, ARG72B, ARG82B, ARG95G, ASN140B, ASP100G, ASP108G, ASP112G, ASP131B, ASP133B, ASP148B, GLN104G, GLN116G, GLN147B, GLU103G, GLU137B, GLU159B, GLU73B, GLY109G, GLY134B, GLY141B, GLY156B, HIS120G, HIS49G, ILE157G, LEU107G, LEU142B, LEU144B, LEU146B, LEU149B, LEU152B, PHE135B, PHE139B, SER101G, SER136B, THR74B, THR98G, VAL110G, VAL68B, VAL99G
• B-H: ALA138H, ALA155B, ALA155H, ALA160B, ALA160H, ALA51H, ALA79B, ARG143B, ARG143H, ARG145B, ARG145H, ARG72B, ARG72H, ARG82B, ARG89B, ARG89H, ASN140B, ASN140H, ASN85B, ASP133B, ASP133H, ASP148B, ASP148H, ASP65B, ASP76B, ASP86B, ASP86H, GLN147B, GLN147H, GLN150B, GLN151B, GLN151H, GLN42H, GLN44H, GLN57B, GLN57H, GLN58B, GLN58H, GLN61B, GLN61H, GLN78B, GLN93B, GLN93H, GLU137B, GLU137H, GLU159B, GLU159H, GLU161B, GLU161H, GLU43H, GLU54B, GLU54H, GLU73B, GLU73H, GLU81B, GLY134H, GLY141B, GLY141H, GLY156B, GLY156H, GLY77B, HIS48H, HIS49H, ILE157B, ILE157H, ILE53H, ILE69B, LEU144B, LEU144H, LEU149B, LEU149H, LEU152B, LEU152H, LEU154B, LEU154H, LEU62B, LEU62H, LEU80B, PHE135H, PRO75B, SER136H, SER158B, SER158H, SER163B, SER47H, SER83B, THR162B, THR74B, TYR50H, VAL55H, VAL68B, VAL90B, VAL90H
• C-D: ALA102C, ALA102D, ALA105C, ALA105D, ALA106C, ALA106D, ALA113C, ALA113D, ALA119C, ALA119D, ALA123C, ALA127C, ALA130C, ALA138C, ALA138D, ALA153C, ALA153D, ALA155C, ALA155D, ALA160C, ALA160D, ALA51C, ALA51D, ARG111C, ARG111D, ARG143C, ARG143D, ARG145C, ARG145D, ARG45C, ARG60C, ARG60D, ARG95C, ASN132C, ASN132D, ASN140C, ASN140D, ASP100C, 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, GLU137C, GLU137D, GLU159C, GLU159D, GLU161C, GLU161D, 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, 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, SER101C, SER136C, SER136D, SER158C, SER158D, SER47C, SER47D, SER56C, SER56D, THR121C, THR121D, THR162D, THR52C, THR52D, THR98C, THR98D, TYR114C, TYR114D, TYR50C, TYR50D, VAL110C, VAL110D, VAL55C, VAL55D, VAL68C, VAL68D
• C-E: ALA102C, ALA102E, ALA105C, ALA105E, ALA106C, ALA113C, ARG111E, ARG45C, ARG95E, ASP100C, ASP100E, ASP108E, ASP112C, ASP112E, GLN104E, GLN116C, GLN116E, GLU103C, GLY109C, GLY109E, HIS120C, HIS49C, LEU115E, LEU117C, SER101C, SER101E, VAL110C, VAL99E
• D-E: ALA102E, ALA105E, ALA106E, ALA113E, ALA119E, ALA138D, ALA153D, ALA155D, ALA160D, ARG111E, ARG143D, ARG145D, ARG45E, ARG72D, ARG82D, ARG95E, ASN140D, ASP100E, ASP108E, ASP112E, ASP133D, ASP148D, GLN104E, GLN116E, GLN147D, GLN151D, GLN78D, GLU103E, GLU137D, GLU159D, GLU73D, GLY109E, GLY134D, GLY141D, GLY156D, HIS120E, HIS49E, ILE157D, ILE157E, LEU107E, LEU115E, LEU117E, LEU142D, LEU144D, LEU146D, LEU149D, LEU152D, LEU154D, PHE135D, PHE139D, SER101E, SER136D, SER158D, THR162D, TYR114E, VAL110E, VAL68D, VAL99E
• D-F: ALA138F, ALA155D, ALA155F, ALA160D, ALA160F, ALA51F, ALA79D, ARG143D, ARG143F, ARG145D, ARG145F, ARG45F, ARG72D, ARG72F, ARG82D, ARG82F, ARG89D, ARG89F, ASN132F, ASN140D, ASN140F, ASN85D, ASN97D, ASP133D, ASP133F, ASP148D, ASP148F, ASP65D, ASP65F, ASP76D, ASP86D, ASP86F, GLN147D, GLN147F, GLN150D, GLN151D, GLN151F, GLN42F, GLN44F, GLN57D, GLN57F, GLN58D, GLN58F, GLN61D, GLN61F, GLN78D, GLN93D, GLN93F, GLU137D, GLU137F, GLU159D, GLU159F, GLU161D, GLU161F, GLU43F, GLU54D, GLU54F, GLU73D, GLU73F, GLU81D, GLY134F, GLY141D, GLY141F, GLY156D, GLY156F, GLY77D, HIS48F, HIS49F, ILE157D, ILE157F, ILE53F, ILE69D, LEU144D, LEU144F, LEU149D, LEU149F, LEU152D, LEU152F, LEU154D, LEU154F, LEU62D, LEU62F, LEU80D, PHE135F, PHE139F, PRO75D, SER136D, SER136F, SER158D, SER158F, SER47D, SER47F, THR162D, THR162F, THR52F, THR74D, TYR50D, TYR50F, VAL55F, VAL68D, VAL90D, VAL90F
• D-G: ALA41G, ALA51D, ALA96D, ARG45G, ARG95D, ASN97D, GLN42G, GLN44G, GLN93D, GLU43G, GLY94D, HIS48D, SER47D, THR98D, VAL99G
• E-F: ALA102E, ALA102F, ALA105E, ALA105F, ALA106E, ALA106F, ALA113E, ALA113F, ALA119E, ALA119F, ALA123F, ALA138E, ALA138F, ALA153E, ALA153F, ALA155E, ALA155F, ALA160F, ALA51E, ALA51F, ARG111E, ARG111F, ARG143E, ARG143F, ARG145E, ARG145F, ARG45E, ARG45F, ARG60E, ARG60F, ARG95F, ASN132E, ASN132F, ASN140E, ASN140F, ASP100E, ASP100F, ASP108E, ASP108F, ASP112E, ASP112F, ASP133E, ASP133F, ASP148E, ASP148F, GLN104E, GLN104F, GLN116E, GLN116F, GLN118E, GLN118F, GLN147E, GLN147F, GLN150E, GLN150F, GLN151E, GLN151F, GLN42E, GLN44E, GLN57E, GLN57F, GLN58E, GLN58F, GLN61E, GLN61F, GLN66E, GLN66F, GLN84E, GLN84F, GLU103E, GLU103F, GLU137E, GLU137F, GLU159F, GLU161F, GLU43E, 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, LEU124F, 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, PRO122F, SER101E, SER101F, SER136E, SER136F, SER158E, SER158F, SER47E, SER47F, SER56E, SER56F, THR121F, THR162F, THR52E, THR52F, THR98E, THR98F, TYR114E, TYR114F, TYR50E, TYR50F, VAL110E, VAL110F, VAL55E, VAL55F, VAL68F, VAL90E, VAL90F
• F-G: ALA41G, ALA51G, ALA79F, ARG45G, ARG82F, ASN85F, ASN97G, ASP76F, ASP86F, GLN42G, GLN44G, GLN78F, GLN93G, GLU43G, GLU54G, GLU73F, GLU81F, GLY77F, HIS48G, HIS49G, SER47G, SER83F, THR52G, THR74F, TYR50G
• G-H: ALA102G, ALA102H, ALA105G, ALA105H, ALA106G, ALA106H, ALA113G, ALA113H, ALA119G, ALA119H, ALA123G, ALA123H, ALA138G, ALA138H, ALA153G, ALA153H, ALA155G, ALA155H, ALA160H, ALA41G, ALA51G, ALA51H, ARG111G, ARG111H, ARG143G, ARG143H, ARG145G, ARG145H, ARG45G, ARG45H, ARG60G, ARG60H, ASN132G, ASN140G, ASN140H, ASP100G, ASP100H, ASP108G, ASP108H, ASP112G, ASP112H, ASP133G, ASP133H, ASP148G, ASP148H, GLN104G, GLN104H, GLN116G, GLN116H, GLN118G, GLN118H, GLN147G, GLN147H, GLN150G, GLN150H, GLN151G, GLN151H, GLN42G, GLN42H, GLN44G, GLN57G, GLN57H, GLN58G, GLN58H, GLN61G, GLN61H, GLN66G, GLN66H, GLN84G, GLN84H, GLU103G, GLU103H, GLU137G, GLU137H, GLU159H, GLU161H, GLU43G, GLU54G, GLU54H, GLU73G, 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, 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, SER101G, SER101H, SER136G, SER136H, SER158H, SER47G, SER47H, SER56G, SER56H, THR121G, THR121H, THR52G, THR52H, THR98G, THR98H, TYR114G, TYR114H, TYR50G, TYR50H, VAL110G, VAL110H, VAL55G, VAL55H, VAL68G, VAL90G, VAL90H