1SQ3

crystal structures of a novel open pore ferritin from the hyperthermophilic archaeon archaeoglobus fulgidus.

• Total interactions analyzed: 66
• Total true interactions: 23
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 98
  • Norm. En. per Res.: -5.3291
• 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	-71.2779	-90.8402	-296.382	-458.5	99	14	8	11438	15	27	15
A-D	0.0	-12.1232	-83.0277	-95.1509	46	2	4	3461	2	16	18
A-E	0.0	-12.2691	-78.6155	-90.8846	46	1	5	3445	0	15	18
A-F	-16.8727	-10.275	-94.1495	-121.2972	43	3	3	4577	2	25	27
A-H	0.0	1.1186	-57.878	-56.7594	38	2	3	2858	1	14	8
B-D	-14.0596	1.6197	-93.7771	-106.217	45	2	4	4681	1	24	27
B-G	0.0	1.2467	-62.224	-60.9773	39	2	3	2889	1	15	10
B-H	0.0	5.1528	-1.7973	3.3555	13	0	0	198	0	2	5
B-L	0.0	0.0	-5.173	-5.173	6	0	0	170	0	0	0
C-D	-86.3421	-97.965	-295.278	-479.5851	100	12	8	11523	14	27	15
C-E	-15.3185	-25.4039	-93.5529	-134.2753	45	1	3	4699	4	25	26
D-E	-3.5203	-12.8371	-83.3383	-99.6957	46	3	4	3540	2	16	18
E-F	-96.3284	-94.5777	-296.472	-487.3781	98	14	8	11287	13	27	15
F-H	0.0	0.0	-0.0499	-0.0499	3	0	0	15	0	0	0
G-H	-114.625	-103.0099	-304.614	-522.249	98	15	8	11469	15	27	15
G-J	0.0	-17.8638	-77.7359	-95.5997	47	3	4	3430	1	16	18
G-K	-9.2569	-8.6596	-76.4553	-94.3718	46	6	5	3459	1	16	18
G-L	-7.0853	-9.4632	-96.3085	-112.857	45	4	3	4638	2	25	26
H-J	-6.3581	-15.3232	-89.3405	-111.0217	43	8	4	4465	0	25	27
I-J	-105.6914	-104.4244	-301.876	-511.9918	98	15	8	11235	15	26	14
I-K	-6.2729	-31.3271	-73.1939	-110.7939	44	13	3	5064	3	24	27
J-K	0.0	-21.0111	-78.5897	-99.6008	46	2	5	3419	0	15	18
K-L	-105.375	-95.3682	-297.789	-498.5322	98	12	8	11371	15	28	14

Interface residues

• A-B: ALA18B, ALA23A, ALA23B, ALA30A, ALA30B, ALA56A, ALA56B, ALA74A, ALA74B, ARG14A, ARG14B, ARG46A, ARG46B, ARG69A, ARG69B, ASN13A, ASN13B, ASN17A, ASN17B, ASP34A, ASP34B, ASP61A, ASP61B, GLN50A, GLN50B, GLU65A, GLU65B, GLU76A, GLU76B, GLU77A, GLU77B, GLU81A, GLU81B, GLY67A, GLY67B, GLY68A, GLY68B, ILE16A, ILE16B, ILE20A, ILE20B, ILE36A, ILE36B, LEU25A, LEU25B, LEU27A, LEU27B, LEU53A, LEU53B, LEU72A, LEU72B, LYS39A, LYS39B, LYS58A, LYS58B, LYS71A, LYS71B, PHE33A, PHE33B, PHE60A, PHE60B, PHE62A, PHE62B, PRO78A, PRO78B, PRO79A, PRO79B, SER28A, SER28B, SER31A, SER31B, SER35A, SER35B, SER42A, SER42B, SER64A, SER64B, SER80A, SER80B, TRP49A, TRP49B, TRP82A, TRP82B, TYR21A, TYR21B, TYR24A, TYR24B, TYR26A, TYR26B, TYR32A, TYR32B, TYR73A, TYR73B, VAL63A, VAL63B, VAL70A, VAL70B, VAL75A, VAL75B
• A-D: ALA117A, ALA127D, ALA134D, ARG66A, ASN120A, ASN120D, ASP115A, ASP138D, GLN112D, GLN123A, GLN123D, GLN129D, GLU105D, GLU108D, GLU128D, GLU131D, GLU132D, GLU133D, GLU141D, GLU65A, GLY67A, HIS104D, ILE103D, ILE4A, LEU106D, LEU122D, LEU137D, LYS101D, LYS114A, PHE116A, PHE121A, PHE62A, SER135D, SER3A, SER64A, THR100D, THR118A, TRP124D, TYR119A, TYR119D, TYR125D, TYR93D, VAL107D, VAL126D, VAL130D, VAL97D
• A-E: ALA117E, ALA127A, ALA134A, ARG66E, ASN120A, ASN120E, ASP115E, ASP138A, GLN112A, GLN123A, GLN123E, GLN129A, GLU105A, GLU108A, GLU128A, GLU131A, GLU132A, GLU133A, GLU141A, GLU65E, GLY67E, HIS104A, ILE103A, ILE4E, LEU106A, LEU122A, LEU137A, LYS101A, LYS114E, PHE116E, PHE121E, PHE62E, SER135A, SER3E, SER64E, THR100A, THR118E, TRP124A, TYR119A, TYR119E, TYR125A, TYR93A, VAL107A, VAL126A, VAL130A, VAL97A
• A-F: ALA134A, ALA152A, ALA152F, ARG144A, ARG151A, ARG151F, ASP138A, ASP149A, ASP149F, ASP157F, ASP34F, GLU141A, GLU148A, GLU148F, GLU159A, GLU159F, GLY147A, GLY37F, GLY40F, ILE146A, ILE36F, LEU143A, LEU145A, LEU153A, LEU153F, LEU154A, LEU154F, LEU156A, LEU156F, LEU162A, LEU38F, LYS142A, LYS150A, LYS150F, LYS158A, LYS158F, LYS39F, PHE155A, PHE155F, PHE41F, PRO85F, SER161F, SER35F
• A-H: ALA110H, ALA117H, ARG151A, ARG66H, ASN120H, ASP115H, ASP157A, ASP34A, ASP83A, GLN112H, GLN123H, GLU108H, GLU113H, GLU148A, GLY37A, HIS104H, ILE36A, LEU153A, LEU154A, LEU38A, LYS114H, LYS150A, LYS158A, LYS39A, PHE116H, PHE121H, PHE155A, PHE33A, PHE41A, PRO85A, SER35A, SER3H, SER84A, THR118H, TYR119H, TYR32A, VAL107H, VAL126H
• B-D: ALA134D, ALA152B, ALA152D, ARG144D, ARG151B, ARG151D, ASP138D, ASP149B, ASP149D, ASP157B, ASP157D, ASP34B, GLU141D, GLU148B, GLU148D, GLU159B, GLU159D, GLY147D, GLY37B, GLY40B, ILE146D, ILE36B, LEU143D, LEU145D, LEU153B, LEU153D, LEU154B, LEU154D, LEU156B, LEU156D, LEU162B, LEU162D, LEU38B, LYS142D, LYS150B, LYS150D, LYS158B, LYS158D, LYS39B, PHE155B, PHE155D, PHE41B, PRO85B, SER161B, SER35B
• B-G: ALA110B, ALA117B, ARG151G, ARG66B, ASN120B, ASP115B, ASP157G, ASP34G, ASP83G, GLN112B, GLN123B, GLU108B, GLU113B, GLU148G, GLY37G, GLY40G, HIS104B, ILE36G, LEU153G, LEU154G, LEU38G, LYS114B, LYS150G, LYS158G, LYS39G, PHE116B, PHE121B, PHE155G, PHE33G, PHE41G, PRO85G, SER35G, SER3B, SER84G, THR118B, TYR119B, TYR32G, VAL107B, VAL126B
• B-H: ARG66B, ARG66H, GLU65B, GLU65H, GLY67B, GLY67H, GLY68B, GLY68H, ILE4B, ILE4H, SER3B, SER3H, SER64B
• B-L: ARG151L, ASN120B, GLN123B, TYR119B, VAL107B, VAL126B
• C-D: ALA18D, ALA23C, ALA23D, ALA30C, ALA30D, ALA56C, ALA56D, ALA74C, ALA74D, ARG14C, ARG14D, ARG46C, ARG46D, ARG66C, ARG69C, ARG69D, ASN13C, ASN13D, ASN17C, ASN17D, ASP34C, ASP34D, ASP61C, ASP61D, GLN50C, GLN50D, GLU65C, GLU65D, GLU76C, GLU76D, GLU77C, GLU77D, GLU81C, GLU81D, GLY67C, GLY67D, GLY68C, GLY68D, ILE16C, ILE16D, ILE20C, ILE20D, ILE36C, ILE36D, LEU25C, LEU25D, LEU27C, LEU27D, LEU53C, LEU53D, LEU72C, LEU72D, LYS39C, LYS39D, LYS58C, LYS58D, LYS71C, LYS71D, PHE33C, PHE33D, PHE60C, PHE60D, PHE62C, PHE62D, PRO78C, PRO78D, PRO79C, PRO79D, SER28C, SER28D, SER31C, SER31D, SER35C, SER35D, SER42C, SER42D, SER64C, SER64D, SER80C, SER80D, TRP49C, TRP49D, TRP82C, TRP82D, TYR21C, TYR21D, TYR24C, TYR24D, TYR26C, TYR26D, TYR32C, TYR32D, TYR73C, TYR73D, VAL63C, VAL63D, VAL70C, VAL70D, VAL75C, VAL75D
• C-E: ALA134E, ALA152C, ALA152E, ARG144E, ARG151C, ARG151E, ASP138E, ASP149C, ASP149E, ASP157C, ASP157E, ASP34C, GLU141E, GLU148C, GLU148E, GLU159C, GLU159E, GLY147E, GLY37C, GLY40C, ILE146E, ILE36C, LEU143E, LEU145E, LEU153C, LEU153E, LEU154C, LEU154E, LEU156C, LEU156E, LEU162E, LEU38C, LYS142E, LYS150C, LYS150E, LYS158C, LYS158E, LYS39C, PHE155C, PHE155E, PHE33C, PHE41C, PRO85C, SER161C, SER35C
• D-E: ALA117D, ALA127E, ALA134E, ARG66D, ASN120D, ASN120E, ASP115D, ASP138E, GLN112E, GLN123D, GLN123E, GLN129E, GLU105E, GLU108E, GLU128E, GLU131E, GLU132E, GLU133E, GLU141E, GLU65D, GLY67D, HIS104E, ILE103E, ILE4D, LEU106E, LEU122E, LEU137E, LYS101E, LYS114D, PHE116D, PHE121D, PHE62D, SER135E, SER3D, SER64D, THR100E, THR118D, TRP124E, TYR119D, TYR119E, TYR125E, TYR93E, VAL107E, VAL126E, VAL130E, VAL97E
• E-F: ALA18F, ALA23E, ALA23F, ALA30E, ALA30F, ALA56E, ALA56F, ALA74E, ALA74F, ARG14E, ARG14F, ARG46E, ARG46F, ARG69E, ARG69F, ASN13F, ASN17E, ASN17F, ASP34E, ASP34F, ASP61E, ASP61F, GLN50E, GLN50F, GLU65E, GLU65F, GLU76E, GLU76F, GLU77E, GLU77F, GLU81E, GLU81F, GLY67E, GLY67F, GLY68E, GLY68F, ILE16E, ILE16F, ILE20E, ILE20F, ILE36E, ILE36F, LEU25E, LEU25F, LEU27E, LEU27F, LEU53E, LEU53F, LEU72E, LEU72F, LYS39E, LYS39F, LYS58E, LYS58F, LYS71E, LYS71F, PHE33E, PHE33F, PHE60E, PHE60F, PHE62E, PHE62F, PRO78E, PRO78F, PRO79E, PRO79F, SER28E, SER28F, SER31E, SER31F, SER35E, SER35F, SER42E, SER42F, SER64E, SER64F, SER80E, SER80F, TRP49E, TRP49F, TRP82E, TRP82F, TYR21E, TYR21F, TYR24E, TYR24F, TYR26E, TYR26F, TYR32E, TYR32F, TYR73E, TYR73F, VAL63E, VAL63F, VAL70E, VAL70F, VAL75E, VAL75F
• F-H: ARG151F, GLN123H, TYR119H
• G-H: ALA18G, ALA23G, ALA23H, ALA30G, ALA30H, ALA56G, ALA56H, ALA74G, ALA74H, ARG14G, ARG14H, ARG46G, ARG46H, ARG69G, ARG69H, ASN13G, ASN13H, ASN17G, ASN17H, ASP34G, ASP34H, ASP61G, ASP61H, GLN50G, GLN50H, GLU65G, GLU65H, GLU76G, GLU76H, GLU77G, GLU77H, GLU81G, GLU81H, GLY67H, GLY68G, GLY68H, ILE16G, ILE16H, ILE20G, ILE20H, ILE36G, ILE36H, LEU25G, LEU25H, LEU27G, LEU27H, LEU53G, LEU53H, LEU72G, LEU72H, LYS39G, LYS39H, LYS58G, LYS58H, LYS71G, LYS71H, PHE33G, PHE33H, PHE60G, PHE60H, PHE62G, PHE62H, PRO78G, PRO78H, PRO79G, PRO79H, SER28G, SER28H, SER31G, SER31H, SER35G, SER35H, SER42G, SER42H, SER64G, SER64H, SER80G, SER80H, TRP49G, TRP49H, TRP82G, TRP82H, TYR21G, TYR21H, TYR24G, TYR24H, TYR26G, TYR26H, TYR32G, TYR32H, TYR73G, TYR73H, VAL63G, VAL63H, VAL70G, VAL70H, VAL75G, VAL75H
• G-J: ALA117G, ALA127J, ALA134J, ARG66G, ASN120G, ASN120J, ASP115G, ASP138J, GLN112J, GLN123G, GLN123J, GLN129J, GLU105J, GLU108J, GLU128J, GLU131J, GLU132J, GLU133J, GLU141J, GLU65G, GLY67G, GLY68G, HIS104J, ILE103J, ILE4G, LEU106J, LEU122J, LEU137J, LYS101J, LYS114G, PHE116G, PHE121G, PHE62G, SER135J, SER3G, SER64G, THR100J, THR118G, TRP124J, TYR119G, TYR119J, TYR125J, TYR93J, VAL107J, VAL126J, VAL130J, VAL97J
• G-K: ALA117K, ALA127G, ALA134G, ARG66K, ASN120G, ASN120K, ASP115K, ASP138G, GLN112G, GLN123G, GLN123K, GLN129G, GLU105G, GLU108G, GLU128G, GLU131G, GLU132G, GLU133G, GLU141G, GLU65K, GLY67K, HIS104G, ILE103G, ILE4K, LEU106G, LEU122G, LEU137G, LYS101G, LYS114K, PHE116K, PHE121K, PHE62K, SER135G, SER3K, SER64K, THR100G, THR118K, TRP124G, TYR119G, TYR119K, TYR125G, TYR93G, VAL107G, VAL126G, VAL130G, VAL97G
• G-L: ALA134G, ALA152G, ALA152L, ARG144G, ARG151G, ARG151L, ASP138G, ASP149G, ASP149L, ASP157L, ASP34L, GLU141G, GLU148G, GLU148L, GLU159G, GLU159L, GLY147G, GLY37L, GLY40L, ILE139G, ILE146G, ILE36L, LEU137G, LEU143G, LEU145G, LEU153G, LEU153L, LEU154G, LEU154L, LEU156G, LEU156L, LEU162G, LEU38L, LYS142G, LYS150G, LYS150L, LYS158G, LYS158L, LYS39L, PHE155G, PHE155L, PRO85L, SER135G, SER161L, SER35L
• H-J: ALA134J, ALA152H, ALA152J, ARG144J, ARG151H, ARG151J, ASP138J, ASP149H, ASP149J, ASP157H, ASP34H, GLU141J, GLU148H, GLU148J, GLU159H, GLU159J, GLY147J, GLY37H, GLY40H, ILE146J, ILE36H, LEU143J, LEU145J, LEU153H, LEU153J, LEU154H, LEU154J, LEU156H, LEU156J, LEU162J, LEU38H, LYS142J, LYS150H, LYS150J, LYS158H, LYS158J, LYS39H, PHE155H, PHE155J, PRO85H, SER135J, SER161H, SER35H
• I-J: ALA23I, ALA23J, ALA30I, ALA30J, ALA56I, ALA56J, ALA74I, ALA74J, ARG14I, ARG14J, ARG46I, ARG46J, ARG69I, ARG69J, ASN13I, ASN13J, ASN17I, ASN17J, ASP34I, ASP34J, ASP61I, ASP61J, GLN50I, GLN50J, GLU65I, GLU65J, GLU76I, GLU76J, GLU77I, GLU77J, GLU81I, GLU81J, GLY67I, GLY67J, GLY68I, GLY68J, ILE16I, ILE16J, ILE20I, ILE20J, ILE36I, ILE36J, LEU25I, LEU25J, LEU27I, LEU27J, LEU53I, LEU53J, LEU72I, LEU72J, LYS39I, LYS39J, LYS58I, LYS58J, LYS71I, LYS71J, PHE33I, PHE33J, PHE60I, PHE60J, PHE62I, PHE62J, PRO78I, PRO78J, PRO79I, PRO79J, SER28I, SER28J, SER31I, SER31J, SER35I, SER35J, SER42I, SER42J, SER64I, SER64J, SER80I, SER80J, TRP49I, TRP49J, TRP82I, TRP82J, TYR21I, TYR21J, TYR24I, TYR24J, TYR26I, TYR26J, TYR32I, TYR32J, TYR73I, TYR73J, VAL63I, VAL63J, VAL70I, VAL70J, VAL75I, VAL75J
• I-K: ALA134K, ALA152I, ALA152K, ARG144K, ARG151I, ARG151K, ASP138K, ASP149I, ASP149K, ASP157I, ASP34I, GLU141K, GLU148I, GLU148K, GLU159I, GLU159K, GLY147K, GLY37I, GLY40I, ILE146K, ILE36I, LEU143K, LEU145K, LEU153I, LEU153K, LEU154I, LEU154K, LEU156I, LEU156K, LEU160K, LEU162K, LEU38I, LYS142K, LYS150I, LYS150K, LYS158I, LYS158K, LYS39I, PHE155I, PHE155K, PRO85I, SER161I, SER161K, SER35I
• J-K: ALA117J, ALA127K, ALA134K, ARG66J, ASN120J, ASN120K, ASP115J, ASP138K, ASP61J, GLN123J, GLN123K, GLN129K, GLU105K, GLU108K, GLU128K, GLU131K, GLU132K, GLU133K, GLU141K, GLU65J, GLY67J, HIS104K, ILE103K, ILE4J, LEU106K, LEU122K, LEU137K, LYS101K, LYS114J, PHE116J, PHE121J, PHE62J, SER135K, SER3J, SER64J, THR100K, THR118J, TRP124K, TYR119J, TYR119K, TYR125K, TYR93K, VAL107K, VAL126K, VAL130K, VAL97K
• K-L: ALA23K, ALA23L, ALA30K, ALA30L, ALA56K, ALA56L, ALA74K, ALA74L, ARG14K, ARG14L, ARG46K, ARG46L, ARG69K, ARG69L, ASN13K, ASN13L, ASN17K, ASN17L, ASP34K, ASP34L, ASP61K, ASP61L, GLN50K, GLN50L, GLU65K, GLU65L, GLU76K, GLU76L, GLU77K, GLU77L, GLU81K, GLU81L, GLY67K, GLY67L, GLY68K, GLY68L, ILE16K, ILE16L, ILE20K, ILE20L, ILE36K, ILE36L, LEU25K, LEU25L, LEU27K, LEU27L, LEU53K, LEU53L, LEU72K, LEU72L, LYS39K, LYS39L, LYS58K, LYS58L, LYS71K, LYS71L, PHE33K, PHE33L, PHE60K, PHE60L, PHE62K, PHE62L, PRO78K, PRO78L, PRO79K, PRO79L, SER28K, SER28L, SER31K, SER31L, SER35K, SER35L, SER42K, SER42L, SER64K, SER64L, SER80K, SER80L, TRP49K, TRP49L, TRP82K, TRP82L, TYR21K, TYR21L, TYR24K, TYR24L, TYR26K, TYR26L, TYR32K, TYR32L, TYR73K, TYR73L, VAL63K, VAL63L, VAL70K, VAL70L, VAL75K, VAL75L