2HTN

e. coli bacterioferritin in its as-isolated form

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 101
  • Norm. En. per Res.: -4.7582
• 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	-100.6103	-125.1349	-254.837	-480.5821	101	9	7	10528	6	24	26
A-C	0.0	0.0	-1.4716	-1.4716	12	0	0	151	0	2	1
A-G	-47.4416	-23.934	-146.606	-217.9816	59	8	4	5734	7	34	35
A-H	-26.3605	-2.0532	-141.598	-170.0117	55	12	1	5610	2	23	16
C-D	-98.7388	-120.559	-235.243	-454.5408	101	9	7	10225	6	24	22
C-H	-22.8814	-0.364	-131.859	-155.1044	54	4	2	5249	2	21	14
D-E	-32.9454	-1.7298	-142.639	-177.3142	55	6	1	5456	2	22	14
D-F	-37.7878	-24.9383	-131.303	-194.0291	59	6	4	5486	8	35	36
D-H	-42.1676	-21.3686	-151.603	-215.1392	62	7	5	5813	7	35	35
E-F	-88.8063	-113.132	-232.522	-434.4602	101	9	7	10134	6	24	23
F-G	-26.8217	-1.9398	-142.096	-170.8575	54	9	2	5486	2	22	14
F-H	-47.5338	-23.5525	-148.421	-219.5073	61	8	4	5746	8	34	35
G-H	-95.5214	-117.2511	-234.377	-447.1495	100	10	7	10151	6	24	22

Interface residues

• A-B: ALA29A, ALA29B, ALA55A, ALA55B, ARG30A, ARG30B, ARG57A, ARG57B, ARG61A, ARG61B, ASN23A, ASN23B, ASN34A, ASN34B, ASN41A, ASN41B, ASN70A, ASN70B, ASN78A, ASN78B, ASP56A, ASP56B, ASP73A, ASP73B, GLN24A, GLN24B, GLN72A, GLN72B, GLU60A, GLU60B, GLU66A, GLU66B, GLU81A, GLU81B, GLY67A, GLY67B, GLY75A, GLY75B, GLY80A, GLY80B, HIS28A, HIS28B, ILE22A, ILE22B, ILE49A, ILE49B, ILE59A, ILE59B, ILE62A, ILE62B, ILE79A, ILE79B, LEU15A, LEU15B, LEU19A, LEU19B, LEU27A, LEU27B, LEU63A, LEU63B, LEU65A, LEU65B, LEU68A, LEU68B, LEU71A, LEU71B, LEU74A, LEU74B, LEU77A, LEU77B, LYS33A, LYS33B, LYS53A, LYS53B, LYS76A, LYS76B, MET1A, MET1B, MET31A, MET31B, MET52A, MET52B, PHE26A, PHE26B, PHE32A, PHE32B, PHE64A, PHE64B, PRO69A, PRO69B, SER48A, TRP35A, TRP35B, TYR25A, TYR25B, TYR45A, TYR45B, TYR58A, TYR58B, VAL20A, VAL20B
• A-C: ALA152A, ALA152C, ARG155A, ARG155C, ASN148A, ASN148C, GLN151A, GLN151C, GLU157A, GLU157C, MET144A, MET144C
• A-G: ALA104A, ALA108G, ALA98A, ARG102A, ARG117A, ARG117G, ARG125A, ARG57G, ARG61G, ASP109A, ASP109G, ASP113G, ASP118A, ASP118G, ASP126A, ASP132A, ASP139A, ASP4G, GLU103A, GLU122A, GLU122G, GLU127A, GLU128A, GLU135A, GLU60G, GLU66G, GLY106A, GLY129A, GLY3G, HIS112G, HIS130A, ILE105A, ILE121A, ILE121G, ILE123A, ILE123G, ILE131A, LEU101A, LEU124A, LEU134A, LEU63G, LEU65G, LEU91A, LEU95A, LYS2G, LYS99A, MET119G, MET120A, MET120G, MET1G, PHE64G, SER110G, SER116G, THR136A, TRP133A, TYR107A, TYR114G, VAL111G, VAL115G
• A-H: ALA152A, ALA152H, ARG155A, ARG155H, ARG39A, ARG39H, ASN148A, ASN148H, ASN34H, ASP132A, ASP139A, ASP82H, GLN142A, GLN147A, GLN147H, GLN151A, GLN151H, GLN153A, GLN153H, GLU135A, GLU137A, GLU156A, GLU156H, GLU157A, GLU81H, GLY145A, GLY145H, GLY158A, GLY158H, GLY36H, ILE141A, ILE154A, ILE154H, LEU140A, LEU146A, LEU146H, LEU150A, LEU150H, LEU37H, LEU40A, LYS143A, LYS33H, LYS38A, LYS38H, MET144A, MET144H, MET31H, PHE32H, THR136A, TRP133A, TRP35H, TYR149A, TYR149H, VAL43A, VAL83H
• C-D: ALA29C, ALA29D, ALA55C, ALA55D, ARG30C, ARG30D, ARG57C, ARG57D, ARG61C, ARG61D, ASN23C, ASN23D, ASN34C, ASN34D, ASN41C, ASN41D, ASN70C, ASN70D, ASN78C, ASN78D, ASP56C, ASP56D, ASP73C, ASP73D, GLN24C, GLN24D, GLN72C, GLN72D, GLU60C, GLU60D, GLU66C, GLU66D, GLU81C, GLU81D, GLY67C, GLY67D, GLY75C, GLY75D, GLY80C, GLY80D, HIS28C, HIS28D, ILE22C, ILE22D, ILE49C, ILE49D, ILE59C, ILE59D, ILE62C, ILE62D, ILE79C, ILE79D, LEU15C, LEU15D, LEU19C, LEU19D, LEU27C, LEU27D, LEU63C, LEU63D, LEU65C, LEU65D, LEU68C, LEU68D, LEU71C, LEU71D, LEU74C, LEU74D, LEU77C, LEU77D, LYS33C, LYS33D, LYS53C, LYS53D, LYS76C, LYS76D, MET1C, MET1D, MET31C, MET31D, MET52C, MET52D, PHE26C, PHE26D, PHE32C, PHE32D, PHE64C, PHE64D, PRO69C, PRO69D, SER48D, TRP35C, TRP35D, TYR25C, TYR25D, TYR45C, TYR45D, TYR58C, TYR58D, VAL20C, VAL20D
• C-H: ALA152C, ALA152H, ARG155C, ARG155H, ARG39H, ASN148C, ASN148H, ASN34C, ASP132H, ASP139H, ASP82C, GLN142H, GLN147C, GLN147H, GLN151C, GLN151H, GLN153C, GLN153H, GLU135H, GLU137H, GLU156C, GLU156H, GLU157H, GLU81C, GLY145C, GLY145H, GLY158C, GLY158H, GLY36C, ILE141H, ILE154C, ILE154H, LEU140H, LEU146C, LEU146H, LEU150C, LEU150H, LEU37C, LEU40H, LYS143H, LYS33C, LYS38C, LYS38H, MET144C, MET144H, MET31C, PHE32C, THR136H, TRP133H, TRP35C, TYR149C, TYR149H, VAL43H, VAL83C
• D-E: ALA152D, ALA152E, ARG155D, ARG155E, ARG39D, ARG39E, ASN148D, ASN148E, ASN34E, ASP132D, ASP139D, ASP82E, GLN142D, GLN147D, GLN147E, GLN151D, GLN151E, GLN153D, GLN153E, GLU135D, GLU137D, GLU156D, GLU156E, GLU157D, GLU81E, GLY145D, GLY145E, GLY158D, GLY158E, GLY36E, ILE141D, ILE154D, ILE154E, LEU140D, LEU146D, LEU146E, LEU150D, LEU150E, LEU37E, LEU40D, LYS143D, LYS33E, LYS38D, LYS38E, MET144D, MET144E, MET31E, PHE32E, THR136D, TRP133D, TRP35E, TYR149D, TYR149E, VAL43D, VAL83E
• D-F: ALA104D, ALA108F, ALA98D, ARG102D, ARG117D, ARG117F, ARG125D, ARG57F, ARG61F, ASN100D, ASP109D, ASP109F, ASP113F, ASP118D, ASP118F, ASP126D, ASP132D, ASP139D, GLU103D, GLU122D, GLU122F, GLU127D, GLU128D, GLU135D, GLU60F, GLU66F, GLY106D, GLY129D, GLY3F, HIS112F, HIS130D, ILE105D, ILE121D, ILE121F, ILE123D, ILE123F, ILE131D, LEU101D, LEU124D, LEU134D, LEU63F, LEU65F, LEU91D, LEU95D, LYS2F, LYS99D, MET119F, MET120D, MET120F, MET1F, PHE64F, SER110F, SER116F, THR136D, TRP133D, TYR107D, TYR114F, VAL111F, VAL115F
• D-H: ALA104H, ALA108D, ALA108H, ALA98H, ARG102H, ARG117D, ARG117H, ARG125H, ARG57D, ARG61D, ASN100H, ASP109D, ASP109H, ASP113D, ASP118D, ASP118H, ASP126H, ASP132H, ASP139H, ASP4D, GLU103H, GLU122D, GLU122H, GLU127H, GLU128H, GLU135H, GLU60D, GLU66D, GLY106H, GLY129H, GLY3D, HIS112D, HIS130H, ILE105H, ILE121D, ILE121H, ILE123D, ILE123H, ILE131H, LEU101H, LEU124H, LEU134H, LEU63D, LEU65D, LEU91H, LEU95H, LYS2D, LYS99H, MET119D, MET120D, MET120H, MET1D, PHE64D, SER110D, SER116D, THR136H, TRP133H, TYR107H, TYR114D, TYR114H, VAL111D, VAL115D
• E-F: ALA29E, ALA29F, ALA55E, ALA55F, ARG30E, ARG30F, ARG57E, ARG57F, ARG61E, ARG61F, ASN23E, ASN23F, ASN34E, ASN34F, ASN41E, ASN41F, ASN70E, ASN70F, ASN78E, ASN78F, ASP56E, ASP56F, ASP73E, ASP73F, GLN24E, GLN24F, GLN72E, GLN72F, GLU60E, GLU60F, GLU66E, GLU66F, GLU81E, GLU81F, GLY67E, GLY67F, GLY75E, GLY75F, GLY80E, GLY80F, HIS28E, HIS28F, ILE22E, ILE22F, ILE49E, ILE49F, ILE59E, ILE59F, ILE62E, ILE62F, ILE79E, ILE79F, LEU15E, LEU15F, LEU19E, LEU19F, LEU27E, LEU27F, LEU63E, LEU63F, LEU65E, LEU65F, LEU68E, LEU68F, LEU71E, LEU71F, LEU74E, LEU74F, LEU77E, LEU77F, LYS33E, LYS33F, LYS53E, LYS53F, LYS76E, LYS76F, MET1E, MET1F, MET31E, MET31F, MET52E, MET52F, PHE26E, PHE26F, PHE32E, PHE32F, PHE64E, PHE64F, PRO69E, PRO69F, SER48F, TRP35E, TRP35F, TYR25E, TYR25F, TYR45E, TYR45F, TYR58E, TYR58F, VAL20E, VAL20F
• F-G: ALA152F, ALA152G, ARG155F, ARG155G, ARG39F, ASN148F, ASN148G, ASN34G, ASP132F, ASP139F, ASP82G, GLN142F, GLN147F, GLN147G, GLN151F, GLN151G, GLN153F, GLN153G, GLU135F, GLU137F, GLU156F, GLU156G, GLU157F, GLU81G, GLY145F, GLY145G, GLY158F, GLY158G, GLY36G, ILE141F, ILE154F, ILE154G, LEU140F, LEU146F, LEU146G, LEU150F, LEU150G, LEU37G, LEU40F, LYS143F, LYS33G, LYS38F, LYS38G, MET144F, MET144G, MET31G, PHE32G, THR136F, TRP133F, TRP35G, TYR149F, TYR149G, VAL43F, VAL83G
• F-H: ALA104F, ALA108F, ALA108H, ALA98F, ARG102F, ARG117F, ARG117H, ARG125F, ARG57H, ARG61H, ASP109F, ASP109H, ASP113H, ASP118F, ASP118H, ASP126F, ASP132F, ASP139F, ASP4H, GLU103F, GLU122F, GLU122H, GLU127F, GLU128F, GLU135F, GLU60H, GLU66H, GLY106F, GLY129F, GLY3H, HIS112H, HIS130F, ILE105F, ILE121F, ILE121H, ILE123F, ILE123H, ILE131F, LEU101F, LEU124F, LEU134F, LEU63H, LEU65H, LEU91F, LEU95F, LYS2H, LYS99F, MET119H, MET120F, MET120H, MET1H, PHE64H, SER110F, SER110H, SER116H, THR136F, TRP133F, TYR107F, TYR114H, VAL111H, VAL115H
• G-H: ALA29G, ALA29H, ALA55G, ALA55H, ARG30G, ARG30H, ARG57G, ARG57H, ARG61G, ARG61H, ASN23G, ASN23H, ASN34G, ASN34H, ASN41G, ASN41H, ASN70G, ASN70H, ASN78G, ASN78H, ASP56G, ASP56H, ASP73G, ASP73H, GLN24G, GLN24H, GLN72G, GLN72H, GLU60G, GLU60H, GLU66G, GLU66H, GLU81G, GLU81H, GLY67G, GLY67H, GLY75G, GLY75H, GLY80G, GLY80H, HIS28G, HIS28H, ILE22G, ILE22H, ILE49G, ILE49H, ILE59G, ILE59H, ILE62G, ILE62H, ILE79G, ILE79H, LEU15G, LEU15H, LEU19G, LEU19H, LEU27G, LEU27H, LEU63G, LEU63H, LEU65G, LEU65H, LEU68G, LEU68H, LEU71G, LEU71H, LEU74G, LEU74H, LEU77G, LEU77H, LYS33G, LYS33H, LYS53G, LYS53H, LYS76G, LYS76H, MET1G, MET1H, MET31G, MET31H, MET52G, MET52H, PHE26G, PHE26H, PHE32G, PHE32H, PHE64G, PHE64H, PRO69G, PRO69H, SER48H, TRP35G, TRP35H, TYR25G, TYR25H, TYR45G, TYR45H, TYR58H, VAL20G, VAL20H