3OOW

octameric structure of the phosphoribosylaminoimidazole carboxylase catalytic subunit from francisella tularensis subsp. tularensis schu s4.

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 140
  • Norm. En. per Res.: -3.6318
• 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	0.0	0.0	-0.065	-0.065	2	0	0	13	0	0	0
A-C	-27.3347	4.6035	-167.942	-190.6731	69	2	1	7221	0	18	16
A-F	-16.8935	2.1521	-170.421	-185.1624	72	5	1	7350	0	22	20
A-G	-64.2307	-3.2351	-232.514	-299.9798	96	7	5	9047	4	6	19
A-H	-93.3001	12.3529	-427.508	-508.4552	140	13	13	16697	0	7	14
B-C	-21.4203	-8.759	-168.891	-199.0702	68	5	1	7200	1	20	19
B-D	-65.9566	-4.091	-234.973	-305.0206	97	6	6	9088	4	6	19
B-E	-90.001	9.6631	-421.291	-501.6289	141	12	13	16393	0	8	11
B-F	-23.5915	-13.6896	-167.001	-204.2821	70	3	1	7362	1	20	19
C-D	-99.7662	9.9888	-433.107	-522.8844	145	13	13	16563	0	8	12
C-F	0.0	0.0	-0.0327	-0.0327	4	0	0	12	0	0	0
C-H	-63.1793	-2.8969	-245.016	-311.0922	97	7	6	9287	4	9	21
D-E	-16.4223	3.1789	-170.858	-184.1014	67	6	1	7123	0	18	16
D-G	0.0	0.0	-0.0549	-0.0549	4	0	0	14	0	0	0
D-H	-27.9138	-13.7652	-168.175	-209.854	70	7	1	7296	1	20	21
E-F	-64.8203	-1.0065	-240.697	-306.5238	96	10	5	9410	4	7	21
E-G	-16.9571	-0.9803	-154.324	-172.2614	64	5	1	6490	0	12	13
E-H	0.0	0.0	-0.0266	-0.0266	4	0	0	10	0	0	0
F-G	-99.5031	11.7925	-431.611	-519.3215	143	12	13	16627	0	9	14
G-H	-24.0725	2.6018	-154.17	-175.6407	66	4	1	7113	0	20	18

Interface residues

• A-B: ASN94A, ASN94B
• A-C: ALA115A, ALA119A, ALA148A, ALA39C, ALA68C, ARG147A, ARG152A, ARG161A, ARG41C, ASN157A, ASN94A, ASN94C, ASP14C, ASP159A, ASP23C, ASP26C, ASP44C, ASP97A, ASP97C, CYS21C, CYS22C, CYS34C, GLN150A, GLN96A, GLN96C, GLU149A, GLU156A, GLU20C, GLU33C, GLU35C, GLY10C, GLY117A, GLY120A, GLY67C, GLY95A, HIS40C, ILE116A, ILE8C, LEU155A, LEU25C, LEU93A, LEU93C, LEU99A, LYS12C, LYS19C, LYS45C, LYS89A, PHE146A, PHE153A, PRO158A, PRO160A, PRO43C, PRO87A, SER11C, SER13C, SER16C, SER38C, SER90A, SER90C, SER91C, THR151A, THR42C, THR92C, TRP15C, TYR32C, VAL154A, VAL36C, VAL37C, VAL7C
• A-F: ALA115F, ALA119F, ALA148F, ALA39A, ALA68A, ARG147F, ARG152F, ARG161F, ARG41A, ASN157F, ASN94A, ASN94F, ASP14A, ASP159F, ASP26A, ASP44A, ASP97A, ASP97F, CYS22A, CYS34A, GLN150F, GLN96A, GLN96F, GLU149F, GLU156F, GLU162F, GLU33A, GLU35A, GLY10A, GLY117F, GLY120F, GLY31A, GLY67A, GLY95F, HIS163F, HIS40A, ILE116F, ILE8A, LEU155F, LEU25A, LEU93A, LEU93F, LEU99F, LYS12A, LYS19A, LYS45A, LYS89A, LYS89F, PHE146F, PHE153F, PRO158F, PRO160F, PRO43A, PRO87F, SER11A, SER13A, SER16A, SER38A, SER90A, SER90F, SER91A, THR151F, THR42A, THR92A, TRP15A, TYR32A, VAL154F, VAL36A, VAL37A, VAL3A, VAL7A, VAL88F
• A-G: ALA107A, ALA107G, ALA39A, ALA39G, ALA65A, ALA65G, ALA68A, ALA68G, ALA69A, ALA69G, ALA76A, ALA76G, ALA77A, ALA77G, ARG41A, ARG41G, ASN94A, ASN94G, ASP44A, ASP44G, ASP48A, ASP48G, ASP97A, ASP97G, GLN104A, GLN104G, GLN96A, GLN96G, GLU51A, GLU51G, GLY108A, GLY108G, GLY10A, GLY10G, GLY66A, GLY66G, GLY67A, GLY67G, GLY73A, GLY73G, GLY95A, GLY95G, HIS40A, HIS40G, HIS70A, HIS70G, ILE102A, ILE102G, ILE109A, ILE109G, LEU100A, LEU100G, LEU71A, LEU71G, LEU93A, LEU93G, LEU99A, LEU99G, LYS45A, LYS45G, LYS78A, LYS78G, PHE47A, PHE47G, PRO106A, PRO106G, PRO110A, PRO110G, PRO43A, PRO43G, PRO72A, PRO72G, SER101A, SER101G, SER11A, SER11G, SER38A, SER38G, SER90A, SER90G, SER91A, SER91G, SER98A, SER98G, THR42A, THR42G, THR79A, THR79G, THR92A, THR92G, VAL103A, VAL103G, VAL111A, VAL111G, VAL75A, VAL75G
• A-H: ALA107A, ALA107H, ALA112A, ALA112H, ALA115A, ALA115H, ALA119A, ALA119H, ALA121A, ALA121H, ALA124A, ALA124H, ALA125A, ALA125H, ALA128A, ALA128H, ALA129A, ALA129H, ALA140A, ALA140H, ALA144A, ALA144H, ALA148A, ALA148H, ALA50H, ALA76A, ALA76H, ALA77A, ALA77H, ARG147A, ARG147H, ASN123A, ASN123H, ASN94A, ASN94H, ASP136A, GLN104A, GLN104H, GLN133A, GLN133H, GLN150A, GLN150H, GLN4A, GLN4H, GLN96A, GLN96H, GLU145A, GLU145H, GLU20A, GLU20H, GLY108A, GLY108H, GLY117A, GLY117H, GLY120A, GLY120H, GLY57H, GLY73A, GLY73H, GLY85A, GLY85H, GLY95A, GLY95H, HIS134A, HIS134H, ILE102A, ILE102H, ILE109A, ILE109H, ILE116A, ILE116H, ILE131A, ILE131H, ILE137A, ILE24A, ILE24H, ILE61A, ILE61H, LEU100A, LEU100H, LEU126A, LEU126H, LEU132A, LEU132H, LEU143A, LEU143H, LEU58H, LEU81A, LEU81H, LEU84A, LEU84H, LEU99A, LEU99H, LYS122A, LYS122H, LYS141A, LYS54A, LYS54H, LYS59A, LYS59H, LYS78A, LYS78H, PHE114A, PHE114H, PHE127A, PHE127H, PHE146A, PHE146H, PRO106A, PRO106H, PRO110A, PRO110H, PRO82A, PRO82H, PRO87A, PRO87H, SER130A, SER130H, THR113A, THR113H, THR135A, THR135H, THR151A, THR151H, THR79A, THR79H, THR80A, THR80H, VAL103A, VAL103H, VAL111A, VAL111H, VAL60A, VAL60H, VAL75A, VAL75H, VAL83A, VAL83H, VAL86A, VAL86H
• B-C: ALA115C, ALA119C, ALA148C, ALA39B, ALA68B, ARG147C, ARG152C, ARG161C, ARG41B, ASN157C, ASN94B, ASN94C, ASP14B, ASP159C, ASP23B, ASP26B, ASP44B, ASP97B, ASP97C, CYS22B, CYS34B, GLN150C, GLN96B, GLN96C, GLU149C, GLU156C, GLU162C, GLU33B, GLU35B, GLY10B, GLY117C, GLY120C, GLY67B, GLY95C, HIS40B, ILE116C, ILE8B, LEU155C, LEU93B, LEU93C, LEU99C, LYS12B, LYS19B, LYS45B, LYS89B, LYS89C, PHE146C, PHE153C, PRO158C, PRO160C, PRO43B, PRO87C, SER11B, SER13B, SER16B, SER38B, SER90B, SER90C, SER91B, THR151C, THR42B, THR92B, TRP15B, TYR32B, VAL154C, VAL36B, VAL37B, VAL7B
• B-D: ALA107B, ALA107D, ALA39B, ALA39D, ALA65B, ALA65D, ALA68B, ALA68D, ALA69B, ALA69D, ALA76B, ALA76D, ALA77B, ALA77D, ARG41B, ARG41D, ASN94B, ASN94D, ASP44B, ASP44D, ASP48B, ASP48D, ASP97B, ASP97D, GLN104B, GLN104D, GLN96B, GLN96D, GLU51B, GLU51D, GLY108B, GLY108D, GLY10B, GLY10D, GLY66B, GLY66D, GLY67B, GLY67D, GLY73B, GLY73D, GLY95B, GLY95D, HIS40B, HIS40D, HIS70B, HIS70D, ILE102B, ILE102D, ILE109B, ILE109D, LEU100B, LEU100D, LEU71B, LEU71D, LEU93B, LEU93D, LEU99B, LEU99D, LYS45B, LYS45D, LYS78B, LYS78D, PHE47B, PHE47D, PRO106B, PRO106D, PRO110B, PRO110D, PRO43B, PRO43D, PRO72B, PRO72D, SER101B, SER101D, SER11B, SER11D, SER13B, SER13D, SER38B, SER38D, SER90B, SER90D, SER91D, SER98B, SER98D, THR42B, THR42D, THR79B, THR79D, THR92B, THR92D, VAL103B, VAL103D, VAL111B, VAL111D, VAL75B, VAL75D
• B-E: ALA107B, ALA107E, ALA112B, ALA112E, ALA115B, ALA115E, ALA119B, ALA119E, ALA121B, ALA121E, ALA124B, ALA124E, ALA125B, ALA125E, ALA128B, ALA128E, ALA129B, ALA129E, ALA140B, ALA140E, ALA144B, ALA144E, ALA148E, ALA50B, ALA50E, ALA76B, ALA76E, ALA77B, ALA77E, ARG147B, ARG147E, ASN123B, ASN123E, ASN94B, ASN94E, ASP136B, ASP136E, GLN104B, GLN104E, GLN133B, GLN133E, GLN150B, GLN150E, GLN4B, GLN4E, GLN96B, GLN96E, GLU145E, GLU20B, GLU20E, GLY108B, GLY108E, GLY117B, GLY117E, GLY120B, GLY120E, GLY57B, GLY73B, GLY73E, GLY85B, GLY85E, GLY95B, GLY95E, HIS134B, HIS134E, ILE102B, ILE102E, ILE109B, ILE109E, ILE116B, ILE116E, ILE131B, ILE131E, ILE137B, ILE24B, ILE24E, ILE61B, ILE61E, LEU100B, LEU100E, LEU126B, LEU126E, LEU132B, LEU132E, LEU143B, LEU143E, LEU58B, LEU58E, LEU81B, LEU81E, LEU84B, LEU84E, LEU99B, LEU99E, LYS122B, LYS122E, LYS141E, LYS54B, LYS54E, LYS59B, LYS59E, LYS78B, LYS78E, PHE114B, PHE114E, PHE127B, PHE127E, PHE146B, PHE146E, PRO106B, PRO106E, PRO110B, PRO110E, PRO82B, PRO82E, PRO87B, PRO87E, SER130B, SER130E, THR113B, THR113E, THR135B, THR135E, THR151B, THR151E, THR79B, THR79E, THR80B, THR80E, VAL103B, VAL103E, VAL111B, VAL111E, VAL60B, VAL60E, VAL75B, VAL75E, VAL83B, VAL83E, VAL86B, VAL86E
• B-F: ALA115B, ALA119B, ALA148B, ALA39F, ALA68F, ARG147B, ARG152B, ARG161B, ARG41F, ASN123B, ASN157B, ASN94B, ASN94F, ASP14F, ASP159B, ASP26F, ASP44F, ASP97B, ASP97F, CYS22F, CYS34F, GLN150B, GLN96B, GLN96F, GLU149B, GLU156B, GLU162B, GLU33F, GLU35F, GLY10F, GLY117B, GLY120B, GLY67F, GLY95B, HIS40F, ILE116B, ILE24B, ILE8F, LEU126B, LEU155B, LEU93B, LEU93F, LEU99B, LYS122B, LYS12F, LYS19F, LYS45F, LYS89B, PHE146B, PHE153B, PRO158B, PRO160B, PRO43F, PRO87B, SER11F, SER13F, SER16F, SER38F, SER90B, SER90F, SER91F, THR151B, THR42F, THR92F, TRP15F, TYR32F, VAL154B, VAL36F, VAL37F, VAL7F
• C-D: ALA107C, ALA107D, ALA112C, ALA112D, ALA115C, ALA115D, ALA119C, ALA119D, ALA121C, ALA121D, ALA124C, ALA124D, ALA125C, ALA125D, ALA128C, ALA128D, ALA129C, ALA129D, ALA140C, ALA140D, ALA144C, ALA144D, ALA148C, ALA148D, ALA50C, ALA50D, ALA76C, ALA76D, ALA77C, ALA77D, ARG147C, ARG147D, ASN123C, ASN123D, ASN94C, ASN94D, ASP136C, ASP136D, GLN104C, GLN104D, GLN133C, GLN133D, GLN150C, GLN150D, GLN4C, GLN4D, GLN96C, GLN96D, GLU145C, GLU145D, GLU20C, GLU20D, GLU51D, GLY108C, GLY108D, GLY117C, GLY117D, GLY120C, GLY120D, GLY57C, GLY57D, GLY73C, GLY73D, GLY85C, GLY85D, GLY95C, HIS134C, HIS134D, ILE102C, ILE102D, ILE109C, ILE109D, ILE116C, ILE116D, ILE131C, ILE131D, ILE137C, ILE137D, ILE24C, ILE24D, ILE61C, ILE61D, LEU100C, LEU100D, LEU126C, LEU126D, LEU132C, LEU132D, LEU143C, LEU143D, LEU58C, LEU58D, LEU81C, LEU81D, LEU84C, LEU84D, LEU99C, LEU99D, LYS122C, LYS122D, LYS141C, LYS54C, LYS54D, LYS59C, LYS59D, LYS78C, LYS78D, PHE114C, PHE114D, PHE127C, PHE127D, PHE146C, PHE146D, PRO106C, PRO106D, PRO110C, PRO110D, PRO82C, PRO82D, PRO87C, PRO87D, SER130C, SER130D, THR113C, THR113D, THR135C, THR135D, THR151C, THR151D, THR79C, THR79D, THR80C, THR80D, VAL103C, VAL103D, VAL111C, VAL111D, VAL60C, VAL60D, VAL75C, VAL75D, VAL83C, VAL83D, VAL86C, VAL86D
• C-F: ASN94C, ASN94F, GLN96C, GLN96F
• C-H: ALA107C, ALA107H, ALA39C, ALA39H, ALA65C, ALA65H, ALA68C, ALA68H, ALA69C, ALA69H, ALA76C, ALA76H, ALA77C, ALA77H, ARG41C, ARG41H, ASN94C, ASN94H, ASP44C, ASP44H, ASP48C, ASP48H, ASP97C, ASP97H, GLN104C, GLN104H, GLN96C, GLN96H, GLU51C, GLU51H, GLY108C, GLY108H, GLY10C, GLY10H, GLY66C, GLY66H, GLY67C, GLY67H, GLY73C, GLY73H, GLY95C, GLY95H, HIS40C, HIS40H, HIS70C, HIS70H, ILE102C, ILE102H, ILE109C, ILE109H, LEU100C, LEU100H, LEU71C, LEU71H, LEU93C, LEU93H, LEU99C, LEU99H, LYS45C, LYS45H, LYS78C, LYS78H, PHE47C, PHE47H, PRO106C, PRO106H, PRO110C, PRO110H, PRO43C, PRO43H, PRO72C, PRO72H, SER101C, SER101H, SER11C, SER11H, SER13H, SER38C, SER38H, SER90C, SER90H, SER91C, SER91H, SER98C, SER98H, THR42C, THR42H, THR79C, THR79H, THR92C, THR92H, VAL103C, VAL103H, VAL111C, VAL111H, VAL75C, VAL75H
• D-E: ALA115E, ALA119E, ALA148E, ALA39D, ALA68D, ARG147E, ARG152E, ARG161E, ARG41D, ASN157E, ASN94D, ASN94E, ASP14D, ASP159E, ASP23D, ASP26D, ASP44D, ASP97D, ASP97E, CYS22D, CYS34D, GLN150E, GLN96D, GLN96E, GLU149E, GLU156E, GLU33D, GLU35D, GLY10D, GLY117E, GLY120E, GLY67D, GLY95E, HIS40D, ILE116E, ILE8D, LEU155E, LEU93D, LEU93E, LEU99E, LYS12D, LYS19D, LYS45D, LYS89E, PHE146E, PHE153E, PRO158E, PRO160E, PRO43D, PRO87E, SER11D, SER13D, SER16D, SER38D, SER90D, SER90E, SER91D, THR151E, THR42D, THR92D, TRP15D, TYR32D, VAL154E, VAL36D, VAL37D, VAL7D, VAL88E
• D-G: ASN94D, ASN94G, GLN96D, GLN96G
• D-H: ALA115D, ALA119D, ALA148D, ALA39H, ALA68H, ARG147D, ARG152D, ARG161D, ARG41H, ASN157D, ASN94D, ASN94H, ASP14H, ASP159D, ASP23H, ASP26H, ASP44H, ASP97D, ASP97H, CYS22H, CYS34H, GLN150D, GLN96D, GLN96H, GLU149D, GLU156D, GLU162D, GLU33H, GLU35H, GLY10H, GLY117D, GLY120D, GLY67H, GLY95D, HIS163D, HIS40H, ILE116D, ILE8H, LEU155D, LEU25H, LEU93D, LEU93H, LEU99D, LYS12H, LYS19H, LYS45H, LYS89D, PHE146D, PHE153D, PRO158D, PRO160D, PRO43H, PRO87D, SER11H, SER13H, SER16H, SER38H, SER90D, SER90H, SER91H, THR151D, THR42H, THR92H, TRP15H, TYR32H, VAL154D, VAL36H, VAL37H, VAL7H, VAL88D
• E-F: ALA107E, ALA107F, ALA39E, ALA39F, ALA65E, ALA65F, ALA68E, ALA68F, ALA69E, ALA69F, ALA76E, ALA76F, ALA77E, ALA77F, ARG41E, ARG41F, ASN94E, ASN94F, ASP44E, ASP44F, ASP48E, ASP48F, ASP97E, ASP97F, GLN104E, GLN104F, GLN96E, GLN96F, GLU51E, GLU51F, GLY108E, GLY108F, GLY10E, GLY10F, GLY66E, GLY66F, GLY67E, GLY67F, GLY73E, GLY73F, GLY95E, GLY95F, HIS40E, HIS40F, HIS70E, HIS70F, ILE102E, ILE102F, ILE109E, ILE109F, LEU100E, LEU100F, LEU71E, LEU71F, LEU93E, LEU93F, LEU99E, LEU99F, LYS45E, LYS45F, LYS78E, LYS78F, PHE47E, PHE47F, PRO106E, PRO106F, PRO110E, PRO110F, PRO43E, PRO43F, PRO72E, PRO72F, SER101E, SER101F, SER11E, SER11F, SER38E, SER38F, SER90E, SER90F, SER91E, SER91F, SER98E, SER98F, THR42E, THR42F, THR79E, THR79F, THR92E, THR92F, VAL103E, VAL103F, VAL111E, VAL111F, VAL75E, VAL75F
• E-G: ALA115G, ALA119G, ALA148G, ALA39E, ALA68E, ARG147G, ARG152G, ARG41E, ASN157G, ASN94E, ASN94G, ASP14E, ASP159G, ASP44E, ASP97E, ASP97G, CYS22E, CYS34E, GLN150G, GLN96E, GLN96G, GLU149G, GLU156G, GLU33E, GLU35E, GLY10E, GLY117G, GLY120G, GLY67E, GLY95G, HIS40E, ILE116G, ILE8E, LEU155G, LEU93E, LEU93G, LEU99G, LYS12E, LYS19E, LYS45E, LYS89G, PHE146G, PHE153G, PRO158G, PRO160G, PRO43E, PRO87G, SER11E, SER13E, SER16E, SER38E, SER90E, SER90G, SER91E, THR151G, THR42E, THR92E, TRP15E, TYR32E, VAL154G, VAL36E, VAL37E, VAL7E, VAL88G
• E-H: ASN94E, ASN94H, GLN96E, GLN96H
• F-G: ALA107F, ALA107G, ALA112F, ALA112G, ALA115F, ALA115G, ALA119F, ALA119G, ALA121F, ALA121G, ALA124F, ALA124G, ALA125F, ALA125G, ALA128F, ALA128G, ALA129F, ALA129G, ALA140F, ALA140G, ALA144F, ALA144G, ALA148G, ALA50F, ALA50G, ALA76F, ALA76G, ALA77F, ALA77G, ARG147F, ARG147G, ASN123F, ASN123G, ASN94F, ASN94G, ASP136F, ASP136G, GLN104F, GLN104G, GLN133F, GLN133G, GLN150F, GLN150G, GLN4F, GLN4G, GLN96F, GLN96G, GLU145G, GLU20F, GLU20G, GLU51F, GLY108F, GLY108G, GLY117F, GLY117G, GLY120F, GLY120G, GLY57F, GLY57G, GLY73F, GLY73G, GLY85F, GLY85G, GLY95F, GLY95G, HIS134F, HIS134G, ILE102F, ILE102G, ILE109F, ILE109G, ILE116F, ILE116G, ILE131F, ILE131G, ILE137F, ILE137G, ILE24F, ILE24G, ILE61F, ILE61G, LEU100F, LEU100G, LEU126F, LEU126G, LEU132F, LEU132G, LEU143F, LEU143G, LEU58F, LEU58G, LEU81F, LEU81G, LEU84F, LEU84G, LEU99F, LEU99G, LYS122F, LYS122G, LYS54F, LYS54G, LYS59F, LYS59G, LYS78F, LYS78G, PHE114F, PHE114G, PHE127F, PHE127G, PHE146F, PHE146G, PRO106F, PRO106G, PRO110F, PRO110G, PRO82F, PRO82G, PRO87F, PRO87G, SER130F, SER130G, THR113F, THR113G, THR135F, THR135G, THR151F, THR151G, THR79F, THR79G, THR80F, THR80G, VAL103F, VAL103G, VAL111F, VAL111G, VAL60F, VAL60G, VAL75F, VAL75G, VAL83F, VAL83G, VAL86F, VAL86G
• G-H: ALA115H, ALA119H, ALA148H, ALA39G, ALA68G, ARG147H, ARG152H, ARG161H, ARG41G, ASN157H, ASN94G, ASN94H, ASP14G, ASP159H, ASP26G, ASP44G, ASP97G, ASP97H, CYS22G, CYS34G, GLN150H, GLN96G, GLN96H, GLU149H, GLU156H, GLU162H, GLU33G, GLU35G, GLY10G, GLY117H, GLY120H, GLY67G, GLY95H, HIS40G, ILE116H, ILE8G, LEU155H, LEU93G, LEU93H, LEU99H, LYS12G, LYS19G, LYS45G, LYS89H, PHE146H, PHE153H, PRO158H, PRO160H, PRO43G, PRO87H, SER11G, SER13G, SER16G, SER38G, SER90G, SER90H, SER91G, THR151H, THR42G, THR92G, TRP15G, TYR32G, VAL154H, VAL36G, VAL37G, VAL7G