1LNU

crystal structure of class ii mhc molecule iab bound to ealpha3k peptide

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 236
  • Norm. En. per Res.: -6.0223
• 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	-255.9762	-172.3976	-925.368	-1353.7418	240	79	30	36591	12	60	63
A-C	-2.1703	4.4574	-28.919	-26.6319	19	3	0	1153	0	2	2
A-D	-3.3509	-14.7245	-12.3199	-30.3953	21	1	0	772	0	13	7
B-C	0.0	0.0	-0.1301	-0.1301	4	0	0	34	0	0	0
C-D	-268.0598	-191.3728	-944.293	-1403.7256	238	87	29	36914	12	59	64
C-F	0.0	-8.2774	-17.338	-25.6154	24	2	0	875	0	12	7
D-E	0.0	-6.3976	-14.5444	-20.942	24	0	0	810	0	11	7
D-F	-83.59	-44.763	-170.658	-299.011	82	32	5	7468	0	22	24
E-F	-288.4406	-180.4318	-952.395	-1421.2674	236	78	29	36625	11	59	64
E-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
E-H	0.0	0.0	-0.0338	-0.0338	5	0	0	17	0	0	1
G-H	-299.0722	-184.8994	-944.842	-1428.8136	240	88	30	37426	12	61	64

Interface residues

• A-B: ALA11B, ALA152B, ALA3A, ALA3B, ALA53A, ALA65A, ALA6B, ALA75B, ALA83A, ALA84B, ALA87A, ALA8B, ARG106B, ARG119B, ARG120B, ARG142A, ARG176B, ARG22B, ARG31B, ARG49B, ARG51B, ARG55B, ARG60B, ARG65B, ARG77A, ARG81B, ARG96B, ASN104A, ASN108B, ASN112A, ASN125B, ASN141A, ASN177B, ASN45B, ASN59B, ASN63A, ASN70A, ASN79A, ASN85A, ASN9B, ASP111A, ASP13B, ASP143A, ASP148B, ASP179B, ASP28A, ASP30A, ASP4A, ASP56A, ASP67B, ASP69B, ASP83B, CYS105B, CYS41B, GLN15A, GLN183B, GLN22A, GLN36B, GLN4B, GLN51A, GLN58A, GLN62A, GLU100B, GLU113B, GLU122B, GLU172A, GLU26A, GLU2A, GLU2B, GLU30B, GLU31A, GLU40B, GLU48A, GLU61B, GLU62B, GLU78B, GLU85B, GLU86A, GLY10A, GLY111B, GLY14B, GLY15B, GLY16B, GLY170A, GLY178B, GLY17B, GLY18A, GLY21A, GLY23B, GLY25B, GLY26B, GLY27B, GLY28B, GLY29A, GLY39B, GLY46B, GLY50A, GLY59A, GLY60A, GLY72A, GLY7A, GLY80B, HIS107B, HIS115B, HIS147A, HIS168A, HIS32B, HIS5A, HIS69A, ILE107A, ILE113A, ILE11A, ILE175B, ILE1A, ILE20A, ILE50B, ILE57B, ILE64A, LEU118B, LEU121B, LEU149A, LEU171A, LEU174B, LEU185B, LEU19B, LEU32A, LEU46A, LEU52A, LEU61A, LEU71A, LEU74A, LEU79B, LEU99A, LYS10B, LYS5B, LYS68A, LYS76A, LYS7B, LYS95A, MET38B, MET45A, PHE109A, PHE114A, PHE138A, PHE139A, PHE146A, PHE149B, PHE182B, PHE1B, PHE25A, PHE27A, PHE33A, PHE33B, PHE37B, PHE43B, PHE49A, PHE55A, PHE93A, PRO112B, PRO115A, PRO116A, PRO151B, PRO17A, PRO21B, PRO47A, PRO57A, PRO82A, PRO82B, PRO94A, PRO97A, SER117B, SER129B, SER12A, SER145A, SER145B, SER150A, SER16A, SER18B, SER24B, SER29B, SER54A, SER78A, SER80A, SER96A, THR105A, THR114B, THR116B, THR136A, THR147B, THR181B, THR24A, THR42A, THR44B, THR47B, THR54B, THR75A, THR77B, THR81A, THR84A, THR8A, THR91A, TRP169A, TRP180B, TRP44A, TRP87B, TYR109B, TYR134A, TYR144A, TYR14A, TYR150B, TYR151A, TYR23A, TYR35B, TYR42B, TYR52B, TYR56B, TYR58B, TYR63B, TYR86B, TYR9A, VAL104B, VAL117A, VAL126B, VAL127B, VAL12B, VAL13A, VAL140A, VAL143B, VAL146B, VAL20B, VAL34B, VAL35A, VAL53B, VAL64B, VAL66A, VAL67A, VAL6A, VAL73A, VAL76B, VAL98A
• A-C: ALA53C, ASP19A, GLN15A, GLN51C, GLU48C, GLY18A, GLY50C, GLY72A, ILE20A, LEU52C, LEU71A, LYS68A, LYS76A, PHE49C, PRO17A, PRO47C, SER16A, THR75A, TYR14A
• A-D: ARG119D, ASP19A, ASP36A, ASP38A, GLN123D, GLN58A, GLU41A, GLY18A, HIS115D, LEU121D, LEU207D, LEU37A, LEU61A, LYS208D, LYS39A, LYS40A, PHE1D, PRO57A, SER206D, SER209D, THR42A
• B-C: ARG31B, GLN51C, HIS32B, PHE33B
• C-D: ALA11D, ALA152D, ALA3C, ALA3D, ALA53C, ALA65C, ALA6D, ALA75D, ALA83C, ALA84D, ALA87C, ALA8D, ARG106D, ARG119D, ARG120D, ARG142C, ARG176D, ARG22D, ARG31D, ARG49D, ARG51D, ARG55D, ARG60D, ARG65D, ARG77C, ARG81D, ARG96D, ASN104C, ASN108D, ASN112C, ASN125D, ASN141C, ASN177D, ASN45D, ASN59D, ASN63C, ASN70C, ASN79C, ASN85C, ASN9D, ASP13D, ASP143C, ASP148D, ASP179D, ASP28C, ASP30C, ASP4C, ASP56C, ASP67D, ASP83D, CYS105D, CYS41D, GLN15C, GLN183D, GLN22C, GLN36D, GLN4D, GLN51C, GLN58C, GLN62C, GLU100D, GLU113D, GLU122D, GLU172C, GLU26C, GLU2C, GLU2D, GLU30D, GLU31C, GLU40D, GLU48C, GLU61D, GLU62D, GLU78D, GLU85D, GLU86C, GLY10C, GLY111D, GLY14D, GLY15D, GLY16D, GLY170C, GLY178D, GLY17D, GLY18C, GLY21C, GLY23D, GLY25D, GLY26D, GLY27D, GLY28D, GLY29C, GLY39D, GLY46D, GLY50C, GLY59C, GLY60C, GLY72C, GLY7C, GLY80D, HIS107D, HIS115D, HIS147C, HIS168C, HIS32D, HIS5C, HIS69C, ILE107C, ILE113C, ILE11C, ILE175D, ILE1C, ILE20C, ILE50D, ILE57D, ILE64C, LEU118D, LEU121D, LEU149C, LEU171C, LEU185D, LEU19D, LEU32C, LEU46C, LEU52C, LEU61C, LEU71C, LEU74C, LEU79D, LEU99C, LYS10D, LYS148C, LYS5D, LYS68C, LYS76C, LYS7D, LYS95C, MET38D, MET45C, PHE109C, PHE114C, PHE138C, PHE139C, PHE146C, PHE149D, PHE182D, PHE1D, PHE25C, PHE27C, PHE33C, PHE33D, PHE37D, PHE43D, PHE49C, PHE55C, PHE93C, PRO112D, PRO115C, PRO116C, PRO151D, PRO17C, PRO21D, PRO47C, PRO57C, PRO82C, PRO82D, PRO94C, PRO97C, SER117D, SER129D, SER12C, SER145C, SER145D, SER150C, SER16C, SER18D, SER24D, SER29D, SER54C, SER78C, SER80C, SER96C, THR105C, THR114D, THR116D, THR136C, THR147D, THR181D, THR24C, THR42C, THR44D, THR47D, THR54D, THR75C, THR77D, THR81C, THR84C, THR8C, THR91C, TRP169C, TRP180D, TRP44C, TRP87D, TYR109D, TYR134C, TYR144C, TYR14C, TYR150D, TYR151C, TYR23C, TYR35D, TYR42D, TYR52D, TYR56D, TYR58D, TYR63D, TYR86D, TYR9C, VAL104D, VAL117C, VAL126D, VAL127D, VAL12D, VAL13C, VAL140C, VAL143D, VAL146D, VAL20D, VAL34D, VAL35C, VAL53D, VAL64D, VAL66C, VAL67C, VAL6C, VAL73C, VAL76D, VAL98C
• C-F: ALA135F, ALA3C, ARG142C, ARG193F, ARG194F, ASN112C, ASN137F, ASN140F, ASN161F, ASP111C, ASP143C, ASP4C, GLN89C, GLU196F, GLU2C, GLY195F, HIS138F, HIS139F, ILE1C, LEU136F, PHE109C, PRO192F, THR191F, THR91C
• D-E: ALA135D, ALA3E, ARG142E, ARG193D, ARG194D, ASN112E, ASN137D, ASN140D, ASN161D, ASP111E, ASP143E, ASP4E, GLN89E, GLU196D, GLU2E, GLY195D, HIS138D, HIS139D, ILE1E, LEU136D, PHE109E, PRO192D, THR191D, THR91E
• D-F: ALA152D, ALA152F, ARG132D, ARG132F, ARG157D, ARG157F, ARG193D, ARG193F, ASN140D, ASN140F, GLN163D, GLN163F, GLN173D, GLN173F, GLU164D, GLU164F, GLU165D, GLU165F, GLU189D, GLU189F, GLU203D, GLU203F, GLY168D, GLY168F, HIS138D, HIS138F, HIS139D, HIS139F, HIS201D, HIS201F, ILE154D, ILE154F, ILE175D, ILE175F, LEU174D, LEU174F, LEU185D, LEU185F, LEU188D, LEU188F, LYS153D, LYS153F, LYS155D, LYS155F, MET187D, MET187F, MET190D, MET190F, PHE149D, PHE149F, PHE159D, PHE159F, PHE182D, PHE182F, SER170D, SER170F, SER171D, SER171F, THR141D, THR141F, THR166D, THR166F, THR172D, THR172F, THR191D, THR191F, TRP158D, TRP158F, VAL146D, VAL146F, VAL156D, VAL156F, VAL167D, VAL167F, VAL169D, VAL169F, VAL184D, VAL184F, VAL186D, VAL186F, VAL202D, VAL202F
• E-F: ALA11F, ALA152F, ALA3E, ALA3F, ALA53E, ALA65E, ALA6F, ALA83E, ALA84F, ALA87E, ALA8F, ARG106F, ARG119F, ARG120F, ARG142E, ARG176F, ARG22F, ARG31F, ARG49F, ARG51F, ARG55F, ARG60F, ARG65F, ARG77E, ARG81F, ARG96F, ASN104E, ASN108F, ASN112E, ASN125F, ASN141E, ASN177F, ASN45F, ASN59F, ASN63E, ASN70E, ASN79E, ASN85E, ASN9F, ASP13F, ASP143E, ASP148F, ASP179F, ASP28E, ASP30E, ASP4E, ASP56E, ASP67F, ASP69F, ASP83F, CYS105F, CYS108E, CYS41F, GLN15E, GLN183F, GLN22E, GLN36F, GLN4F, GLN51E, GLN58E, GLN62E, GLU100F, GLU113F, GLU122F, GLU172E, GLU26E, GLU2E, GLU2F, GLU30F, GLU31E, GLU40F, GLU48E, GLU61F, GLU62F, GLU78F, GLU86E, GLY10E, GLY111F, GLY14F, GLY15F, GLY16F, GLY170E, GLY178F, GLY17F, GLY18E, GLY21E, GLY23F, GLY25F, GLY26F, GLY27F, GLY28F, GLY29E, GLY39F, GLY46F, GLY50E, GLY59E, GLY60E, GLY72E, GLY7E, GLY80F, HIS107F, HIS115F, HIS147E, HIS168E, HIS32F, HIS5E, HIS69E, ILE107E, ILE113E, ILE11E, ILE175F, ILE1E, ILE20E, ILE50F, ILE57F, ILE64E, LEU118F, LEU121F, LEU149E, LEU171E, LEU185F, LEU19F, LEU32E, LEU46E, LEU52E, LEU61E, LEU71E, LEU74E, LEU79F, LEU99E, LYS10F, LYS148E, LYS5F, LYS68E, LYS76E, LYS7F, LYS95E, MET38F, MET45E, PHE109E, PHE114E, PHE138E, PHE139E, PHE146E, PHE149F, PHE182F, PHE1F, PHE25E, PHE27E, PHE33E, PHE33F, PHE37F, PHE43F, PHE49E, PHE55E, PHE93E, PRO112F, PRO115E, PRO116E, PRO151F, PRO17E, PRO21F, PRO47E, PRO57E, PRO82E, PRO82F, PRO94E, PRO97E, SER117F, SER129F, SER12E, SER145E, SER145F, SER150E, SER16E, SER18F, SER24F, SER29F, SER54E, SER78E, SER80E, SER96E, THR105E, THR114F, THR116F, THR136E, THR147F, THR181F, THR24E, THR42E, THR44F, THR47F, THR54F, THR75E, THR77F, THR81E, THR84E, THR8E, THR91E, TRP169E, TRP180F, TRP44E, TRP87F, TYR109F, TYR134E, TYR144E, TYR14E, TYR150F, TYR151E, TYR23E, TYR35F, TYR42F, TYR52F, TYR56F, TYR58F, TYR63F, TYR9E, VAL104F, VAL117E, VAL126F, VAL127F, VAL12F, VAL13E, VAL140E, VAL143F, VAL146F, VAL20F, VAL34F, VAL35E, VAL53F, VAL64F, VAL66E, VAL67E, VAL6E, VAL73E, VAL76F
• E-G: GLN51E, SER80G
• E-H: ARG31H, GLN102E, GLN51E, LYS10H, PRO103E
• G-H: ALA11H, ALA152H, ALA3G, ALA3H, ALA53G, ALA65G, ALA6H, ALA75H, ALA83G, ALA84H, ALA87G, ALA8H, ARG106H, ARG119H, ARG120H, ARG142G, ARG176H, ARG22H, ARG31H, ARG49H, ARG51H, ARG55H, ARG60H, ARG65H, ARG77G, ARG81H, ARG96H, ASN104G, ASN108H, ASN112G, ASN125H, ASN141G, ASN177H, ASN45H, ASN59H, ASN63G, ASN70G, ASN79G, ASN85G, ASN9H, ASP13H, ASP143G, ASP148H, ASP179H, ASP28G, ASP30G, ASP4G, ASP56G, ASP67H, ASP83H, CYS105H, CYS108G, CYS41H, GLN15G, GLN183H, GLN22G, GLN36H, GLN48H, GLN4H, GLN51G, GLN58G, GLN62G, GLU100H, GLU113H, GLU122H, GLU172G, GLU26G, GLU2G, GLU2H, GLU30H, GLU31G, GLU40H, GLU48G, GLU61H, GLU62H, GLU78H, GLU85H, GLU86G, GLY10G, GLY111H, GLY14H, GLY15H, GLY16H, GLY170G, GLY178H, GLY17H, GLY18G, GLY21G, GLY23H, GLY25H, GLY26H, GLY27H, GLY28H, GLY29G, GLY39H, GLY46H, GLY50G, GLY59G, GLY60G, GLY72G, GLY7G, GLY80H, HIS107H, HIS115H, HIS147G, HIS168G, HIS32H, HIS5G, HIS69G, ILE107G, ILE113G, ILE11G, ILE175H, ILE1G, ILE20G, ILE50H, ILE57H, ILE64G, LEU118H, LEU121H, LEU149G, LEU171G, LEU185H, LEU19H, LEU32G, LEU46G, LEU52G, LEU61G, LEU71G, LEU74G, LEU79H, LEU99G, LYS10H, LYS148G, LYS5H, LYS68G, LYS76G, LYS7H, LYS95G, MET38H, MET45G, PHE109G, PHE114G, PHE138G, PHE139G, PHE146G, PHE149H, PHE182H, PHE1H, PHE25G, PHE27G, PHE33G, PHE33H, PHE37H, PHE43H, PHE49G, PHE55G, PHE93G, PRO112H, PRO115G, PRO116G, PRO151H, PRO17G, PRO21H, PRO47G, PRO57G, PRO82G, PRO82H, PRO94G, PRO97G, SER117H, SER129H, SER12G, SER145G, SER145H, SER150G, SER16G, SER18H, SER24H, SER29H, SER54G, SER78G, SER80G, SER96G, THR105G, THR114H, THR116H, THR136G, THR147H, THR181H, THR24G, THR42G, THR44H, THR47H, THR54H, THR75G, THR77H, THR81G, THR84G, THR8G, THR91G, TRP169G, TRP180H, TRP44G, TRP87H, TYR109H, TYR134G, TYR144G, TYR14G, TYR150H, TYR151G, TYR23G, TYR35H, TYR42H, TYR52H, TYR56H, TYR58H, TYR63H, TYR86H, TYR9G, VAL104H, VAL117G, VAL126H, VAL127H, VAL12H, VAL13G, VAL140G, VAL143H, VAL146H, VAL20H, VAL34H, VAL35G, VAL53H, VAL64H, VAL66G, VAL67G, VAL6G, VAL73G, VAL76H, VAL98G