1SOF

crystal structure of the azotobacter vinelandii bacterioferritin at 2.6 a resolution

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 97
  • Norm. En. per Res.: -3.3977
• Hub Node: A(3)

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	-15.4183	-34.4447	-176.981	-226.844	98	25	5	9875	5	33	27
A-F	-10.5151	15.9812	-95.1155	-89.6494	46	5	1	3929	1	15	22
A-G	0.0	0.0	-0.8716	-0.8716	8	0	0	112	0	0	1
B-C	-7.8003	93.9827	-113.814	-27.6317	56	2	3	4266	4	33	35
B-D	-3.4113	20.6756	-102.864	-85.5998	45	3	1	4099	0	15	22
B-F	-14.1298	60.3377	-110.858	-64.65	59	3	3	4217	5	33	34
C-D	-69.734	-48.5247	-211.318	-329.5767	97	11	6	9539	4	34	27
C-E	-10.7086	7.8685	-93.9169	-96.757	46	3	1	3982	2	14	20
C-F	-16.5769	104.632	-113.409	-25.3539	57	4	3	4315	5	33	35
E-F	-42.5218	-23.714	-195.993	-262.2288	98	8	5	9448	3	35	27
E-G	-14.2013	94.4383	-105.218	-24.981	55	2	3	4193	5	33	34
F-G	-10.3211	11.1481	-99.5696	-98.7425	44	7	1	4130	2	14	21
G-H	-54.6945	-38.4479	-187.846	-280.9883	98	7	6	9370	4	33	27

Interface residues

• A-B: ALA21B, ALA29A, ALA29B, ALA55A, ALA55B, ARG30A, ARG30B, ARG61A, ASN23A, ASN23B, ASN70A, ASN70B, ASP34A, ASP34B, ASP56A, ASP56B, GLN24A, GLN24B, GLN72A, GLN72B, GLU33A, GLU33B, GLU66A, GLU66B, GLU73A, GLU73B, GLU81A, GLU81B, GLY67A, GLY67B, GLY75A, GLY75B, GLY80A, GLY80B, HIS28A, HIS28B, ILE20A, ILE20B, ILE22A, ILE22B, ILE49A, ILE49B, ILE59A, ILE59B, ILE62A, ILE62B, ILE79A, ILE79B, LEU15A, LEU15B, LEU19A, LEU19B, LEU27A, LEU27B, LEU58A, LEU58B, LEU63A, LEU63B, LEU65A, LEU65B, LEU68A, LEU68B, LEU71A, LEU71B, LEU74A, LEU74B, LEU77A, LEU77B, LEU78A, LEU78B, LYS53A, LYS53B, LYS57A, LYS57B, LYS60A, LYS60B, LYS76A, LYS76B, MET1A, MET1B, MET31A, MET31B, MET52A, MET52B, PHE26A, PHE26B, PHE64A, PHE64B, PRO69A, PRO69B, TRP35A, TRP35B, TYR25A, TYR25B, TYR32A, TYR32B, TYR45A, TYR45B
• A-F: ASN148A, ASN148F, ASP132F, ASP139F, ASP142F, ASP155A, ASP155F, ASP34A, GLN137F, GLN151A, GLN151F, GLN153A, GLN153F, GLU135F, GLU147A, GLU147F, GLU33A, GLU38A, GLU81A, GLY145A, GLY145F, GLY36A, HIS82A, ILE141F, ILE144A, ILE144F, LEU140F, LEU146A, LEU146F, LEU150A, LEU150F, LEU37A, LYS143F, LYS39F, MET154A, MET154F, MET31A, SER152A, SER152F, THR136F, THR83A, TRP133F, TRP35A, TYR149A, TYR149F, TYR32A
• A-G: ASN148A, ASN148G, GLN151A, GLN151G, ILE144A, ILE144G, SER152A, SER152G
• B-C: ALA103B, ALA104B, ALA106B, ALA115C, ARG117B, ARG117C, ARG61C, ASP113C, ASP122B, ASP122C, ASP129B, ASP132B, ASP4C, CYS108C, GLN95B, GLU109B, GLU109C, GLU118B, GLU118C, GLU121B, GLU121C, GLU125B, GLU127B, GLU128B, GLU135B, GLU66C, GLY112C, GLY3C, HIS130B, ILE105B, ILE105C, ILE131B, LEU101B, LEU119C, LEU120B, LEU124B, LEU134B, LEU63C, LEU65C, LEU91B, LEU98B, LYS102B, LYS2C, LYS60C, MET1C, PHE64C, PRO99B, SER110B, SER116C, SER126B, THR136B, TRP133B, TYR107B, TYR114B, TYR114C, VAL111C
• B-D: ASN148B, ASN148D, ASP132B, ASP139B, ASP142B, ASP155D, ASP34D, GLN137B, GLN151B, GLN151D, GLN153B, GLN153D, GLU135B, GLU147B, GLU147D, GLU33D, GLU38D, GLU81D, GLY145B, GLY145D, GLY36D, HIS82D, ILE141B, ILE144B, ILE144D, LEU140B, LEU146B, LEU146D, LEU150B, LEU150D, LEU37D, LYS143B, LYS39B, MET154B, MET154D, MET31D, SER152B, SER152D, THR136B, THR83D, TRP133B, TRP35D, TYR149B, TYR149D, TYR32D
• B-F: ALA103F, ALA104F, ALA106F, ALA115B, ARG117B, ARG117F, ARG61B, ASP113B, ASP122B, ASP122F, ASP129F, ASP132F, ASP139F, ASP4B, CYS108B, CYS108F, GLN95F, GLU109B, GLU109F, GLU118B, GLU118F, GLU121B, GLU121F, GLU125F, GLU127F, GLU128F, GLU135F, GLU66B, GLY112B, GLY3B, HIS130F, ILE105B, ILE105F, ILE123F, ILE131F, LEU101F, LEU119B, LEU120F, LEU124F, LEU134F, LEU63B, LEU65B, LEU91F, LEU98F, LYS102F, LYS2B, LYS60B, MET1B, PHE64B, PRO99F, SER116B, SER126F, THR136F, TRP133F, TYR107F, TYR114B, TYR114F, VAL111B, VAL7B
• C-D: ALA29C, ALA29D, ALA55C, ALA55D, ARG30C, ARG30D, ARG61C, ASN23C, ASN23D, ASN70C, ASN70D, ASP34C, ASP34D, ASP56C, ASP56D, GLN24C, GLN24D, GLN72C, GLN72D, GLU33C, GLU33D, GLU66C, GLU66D, GLU73C, GLU73D, GLU81C, GLU81D, GLY67C, GLY67D, GLY75C, GLY75D, GLY80C, GLY80D, HIS28C, HIS28D, ILE20C, ILE20D, ILE22C, ILE22D, ILE49C, ILE49D, ILE59C, ILE59D, ILE62C, ILE62D, ILE79C, ILE79D, LEU15C, LEU15D, LEU19C, LEU19D, LEU27C, LEU27D, LEU58C, LEU58D, LEU63C, LEU63D, LEU65C, LEU65D, LEU68C, LEU68D, LEU71C, LEU71D, LEU74C, LEU74D, LEU77C, LEU77D, LEU78C, LEU78D, LYS53C, LYS53D, LYS57C, LYS57D, LYS60C, LYS60D, LYS76C, LYS76D, MET1C, MET1D, MET31C, MET31D, MET52C, MET52D, PHE26C, PHE26D, PHE64C, PHE64D, PRO69C, PRO69D, TRP35C, TRP35D, TYR25C, TYR25D, TYR32C, TYR32D, TYR45C, TYR45D
• C-E: ASN148C, ASN148E, ASP132C, ASP139C, ASP142C, ASP155C, ASP155E, ASP34E, GLN137C, GLN151C, GLN151E, GLN153C, GLN153E, GLU135C, GLU147C, GLU147E, GLU33E, GLU38E, GLU81E, GLY145C, GLY145E, GLY36E, HIS82E, ILE141C, ILE144C, LEU140C, LEU146C, LEU146E, LEU150C, LEU150E, LEU37E, LEU40C, LYS143C, LYS39C, MET154C, MET154E, MET31E, SER152C, SER152E, THR136C, THR83E, TRP133C, TRP35E, TYR149C, TYR149E, TYR32E
• C-F: ALA103C, ALA104C, ALA106C, ALA115F, ARG117C, ARG117F, ARG61F, ASP113F, ASP122C, ASP122F, ASP129C, ASP132C, ASP139C, ASP4F, CYS108F, GLN95C, GLU109C, GLU109F, GLU118C, GLU118F, GLU121C, GLU121F, GLU125C, GLU127C, GLU128C, GLU135C, GLU66F, GLY112F, GLY3F, HIS130C, ILE105C, ILE105F, ILE123C, ILE131C, LEU101C, LEU119F, LEU120C, LEU124C, LEU134C, LEU63F, LEU65F, LEU91C, LEU98C, LYS102C, LYS2F, LYS60F, MET1F, PHE64F, PRO99C, SER116F, SER126C, THR136C, TRP133C, TYR107C, TYR114C, TYR114F, VAL111F
• E-F: ALA29E, ALA29F, ALA55E, ALA55F, ARG30E, ARG30F, ARG61E, ARG61F, ASN23E, ASN23F, ASN70E, ASN70F, ASP34E, ASP34F, ASP56E, ASP56F, GLN24E, GLN24F, GLN72E, GLN72F, GLU33E, GLU33F, GLU66E, GLU66F, GLU73E, GLU73F, GLU81E, GLU81F, GLY16F, GLY67E, GLY67F, GLY75E, GLY75F, GLY80E, GLY80F, HIS28E, HIS28F, ILE20E, ILE20F, ILE22E, ILE22F, ILE49E, ILE49F, ILE59E, ILE59F, ILE62E, ILE62F, ILE79E, ILE79F, LEU15E, LEU15F, LEU19E, LEU19F, LEU27E, LEU27F, LEU58E, LEU58F, LEU63E, LEU63F, LEU65E, LEU65F, LEU68E, LEU68F, LEU71E, LEU71F, LEU74E, LEU74F, LEU77E, LEU77F, LEU78E, LEU78F, LYS53E, LYS53F, LYS57E, LYS57F, LYS60E, LYS60F, LYS76E, LYS76F, MET1F, MET31E, MET31F, MET52E, MET52F, PHE26E, PHE26F, PHE64E, PHE64F, PRO69E, PRO69F, TRP35E, TRP35F, TYR25E, TYR25F, TYR32E, TYR32F, TYR45E, TYR45F
• E-G: ALA103G, ALA104G, ALA106G, ALA115E, ARG117E, ARG117G, ARG61E, ASP113E, ASP122G, ASP129G, ASP132G, ASP139G, ASP4E, CYS108E, CYS108G, GLN95G, GLU109E, GLU109G, GLU118E, GLU118G, GLU121E, GLU121G, GLU125G, GLU127G, GLU128G, GLU135G, GLU66E, GLY112E, GLY3E, HIS130G, ILE105G, ILE131G, LEU101G, LEU119E, LEU120G, LEU124G, LEU134G, LEU63E, LEU65E, LEU91G, LEU98G, LYS102G, LYS2E, LYS60E, MET1E, PHE64E, PRO99G, SER110G, SER116E, SER126G, THR136G, TRP133G, TYR107G, TYR114E, VAL111E
• F-G: ASN148F, ASN148G, ASP132G, ASP139G, ASP142G, ASP155F, ASP34F, GLN137G, GLN151F, GLN151G, GLN153F, GLN153G, GLU147F, GLU147G, GLU33F, GLU38F, GLU81F, GLY145F, GLY145G, GLY36F, HIS82F, ILE141G, ILE144F, ILE144G, LEU140G, LEU146F, LEU146G, LEU150F, LEU150G, LEU37F, LYS143G, LYS39G, MET154F, MET154G, MET31F, SER152F, SER152G, THR136G, THR83F, TRP133G, TRP35F, TYR149F, TYR149G, TYR32F
• G-H: ALA29G, ALA29H, ALA55G, ALA55H, ARG30G, ARG30H, ARG61G, ASN23G, ASN23H, ASN70G, ASN70H, ASP34G, ASP34H, ASP56G, ASP56H, GLN24G, GLN24H, GLN72G, GLN72H, GLU33G, GLU33H, GLU66G, GLU66H, GLU73G, GLU73H, GLU81G, GLU81H, GLY67G, GLY67H, GLY75G, GLY75H, GLY80G, GLY80H, HIS28G, HIS28H, ILE20G, ILE20H, ILE22G, ILE22H, ILE49G, ILE49H, ILE59G, ILE59H, ILE62G, ILE62H, ILE79G, ILE79H, LEU15G, LEU15H, LEU19G, LEU19H, LEU27G, LEU27H, LEU58G, LEU58H, LEU63G, LEU63H, LEU65G, LEU65H, LEU68G, LEU68H, LEU71G, LEU71H, LEU74G, LEU74H, LEU77G, LEU77H, LEU78G, LEU78H, LYS53G, LYS53H, LYS57G, LYS57H, LYS60G, LYS60H, LYS76G, LYS76H, MET1G, MET1H, MET31G, MET31H, MET52G, MET52H, PHE26G, PHE26H, PHE64G, PHE64H, PRO69G, PRO69H, SER48H, TRP35G, TRP35H, TYR25G, TYR25H, TYR32G, TYR32H, TYR45G, TYR45H