3MGO

crystal structure of a h5-specific ctl epitope derived from h5n1 influenza virus in complex with hla-a*0201

• Total interactions analyzed: 66
• Total true interactions: 17
• Strongest Interaction:
  • Chains: J-K
  • Int. Res.: 127
  • Norm. En. per Res.: -4.2302
• Hub Node: A(6)

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	-66.8014	-82.9808	-382.51	-532.2923	128	7	2	13164	3	44	41
A-C	-44.8692	-16.913	-311.476	-373.2582	96	15	6	11162	1	7	10
A-D	0.0	-4.8123	-50.5515	-55.3638	64	4	0	3155	0	39	40
A-E	0.0	0.0	-0.1336	-0.1336	3	0	0	47	0	1	1
A-G	0.0	-3.7895	-4.8065	-8.5959	22	0	0	322	1	19	11
A-H	0.0	-26.5115	-52.9703	-79.4818	28	2	0	2420	1	15	12
C-G	0.0	0.0	-0.1884	-0.1884	4	0	0	38	0	0	0
C-H	0.0	0.0	-0.8357	-0.8357	4	0	0	73	0	1	1
D-E	-50.7547	-87.7083	-385.65	-524.113	128	9	2	13219	3	45	41
D-F	-46.4354	-12.9321	-302.496	-361.8635	93	21	6	11042	0	8	9
D-H	0.0	-6.1007	-6.1087	-12.2094	22	0	0	498	1	15	19
G-H	-45.812	-90.3295	-387.576	-523.7175	128	9	2	13350	5	45	41
G-I	-45.8836	-13.7778	-307.037	-366.6984	93	19	6	10998	1	9	10
G-J	-4.1984	4.0919	-49.4453	-49.5518	61	4	0	3120	0	40	41
H-J	0.0	0.0	-0.1279	-0.1279	3	0	0	45	0	1	1
J-K	-64.4775	-87.8167	-384.936	-537.2303	127	12	2	13280	3	45	41
J-L	-47.3368	-14.7975	-312.607	-374.7414	97	12	6	11138	1	7	10

Interface residues

• A-B: ALA117A, ALA125A, ALA236A, ALA246A, ALA24A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN21B, ASN24B, ASP119A, ASP122A, ASP238A, ASP29A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN2B, GLN32A, GLN87A, GLN8B, GLN96A, GLU229A, GLU232A, GLU46A, GLU50B, GLY120A, GLY237A, GLY239A, GLY26A, GLY29B, GLY91A, HIS114A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS51B, HIS74A, HIS93A, ILE124A, ILE1B, ILE23A, ILE7B, LEU206A, LEU230A, LEU54B, LEU64B, LEU65B, LYS121A, LYS186A, LYS243A, LYS58B, LYS6B, MET0B, MET98A, MET99B, PHE22A, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PHE9A, PRO14B, PRO235A, PRO32B, PRO47A, SER11A, SER11B, SER13A, SER207A, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR99A, VAL12A, VAL194A, VAL231A, VAL25A, VAL27B, VAL34A, VAL95A, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA149A, ALA150A, ALA153A, ALA158A, ALA24A, ALA69A, ARG0C, ARG157A, ARG170A, ARG35A, ARG65A, ARG6A, ARG75A, ARG82A, ARG97A, ASN4C, ASP77A, CYS164A, GLN115A, GLN155A, GLN3C, GLN72A, GLN96A, GLU148A, GLU154A, GLU166A, GLU55A, GLU58A, GLU63A, GLY100A, GLY162A, GLY26A, GLY62A, GLY79A, HIS114A, HIS151A, HIS70A, HIS74A, ILE124A, ILE52A, ILE9C, LEU156A, LEU160A, LEU168A, LEU1C, LEU78A, LEU81A, LYS144A, LYS146A, LYS66A, LYS68A, MET45A, MET5A, PHE22A, PHE33A, PHE36A, PHE8A, PHE9A, PRO5C, SER71A, THR142A, THR143A, THR163A, THR64A, THR6C, THR73A, THR7C, THR80A, TRP133A, TRP147A, TRP167A, TRP51A, TRP60A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR2C, TYR59A, TYR7A, TYR84A, TYR85A, TYR8C, TYR99A, VAL152A, VAL165A, VAL25A, VAL28A, VAL34A, VAL67A, VAL76A, VAL95A
• A-D: ALA158A, ARG108A, ARG108D, ARG111D, ARG131A, ARG157A, ARG157D, ARG169A, ARG170A, ARG273D, ARG6D, ASN174A, ASP106A, ASP106D, ASP129A, ASP223D, CYS259D, GLN155A, GLN180A, GLN218D, GLN262D, GLN54A, GLU128D, GLU154A, GLU161A, GLU161D, GLU166A, GLU173A, GLU212D, GLU222D, GLU264D, GLY104A, GLY104D, GLY175A, GLY1A, GLY1D, GLY221D, HIS260D, HIS3A, LEU110D, LEU130D, LEU172A, LEU270D, LYS127D, LYS176A, LYS268A, LYS268D, PHE109D, PRO267A, PRO267D, PRO269D, SER105A, SER105D, SER2D, THR214D, THR216D, THR258D, THR271D, TRP107A, TRP107D, TRP167A, TYR113D, VAL103D, VAL261D
• A-E: ARG108A, ASP106A, LYS58E
• A-G: ALA69A, ARG44A, ARG65A, ARG75A, ASP238G, ASP61A, GLN43A, GLN54G, GLN72A, GLU177G, GLU58A, GLY237G, GLY239G, LYS186G, LYS68A, PRO50G, PRO57A, SER207G, THR178G, THR240G, THR64A, VAL76A
• A-H: ALA15H, ARG12H, ARG170A, ARG44A, ARG65A, ASN174A, ASN21H, ASP61A, GLN54A, GLU16H, GLU53A, GLU55A, GLU58A, GLU69H, GLY18H, GLY56A, GLY62A, HIS13H, LYS19H, PHE22H, PHE70H, PRO14H, PRO57A, SER20H, THR71H, TRP167A, TRP60A, TYR59A
• C-G: GLN54G, GLU53G, PRO5C, TYR8C
• C-H: ARG0C, GLU69H, PHE22H, SER20H
• D-E: ALA117D, ALA125D, ALA15E, ALA236D, ALA246D, ALA24D, ARG12E, ARG14D, ARG17D, ARG202D, ARG21D, ARG234D, ARG35D, ARG3E, ARG48D, ARG6D, ARG97D, ARG97E, ASN21E, ASN24E, ASP119D, ASP122D, ASP238D, ASP30D, ASP34E, ASP37D, ASP53E, ASP59E, ASP96E, ASP98E, CYS25E, GLN115D, GLN242D, GLN2E, GLN32D, GLN87D, GLN8E, GLN96D, GLU229D, GLU232D, GLU46D, GLU50E, GLY120D, GLY237D, GLY239D, GLY26D, GLY29E, GLY91D, HIS114D, HIS13E, HIS188D, HIS191D, HIS192D, HIS31E, HIS51E, HIS74D, HIS93D, ILE124D, ILE1E, ILE23D, ILE7E, LEU206D, LEU230D, LEU54E, LEU64E, LEU65E, LYS121D, LYS186D, LYS243D, LYS58E, LYS6E, MET0E, MET98D, MET99E, PHE22D, PHE22E, PHE241D, PHE30E, PHE36D, PHE56E, PHE62E, PHE8D, PHE9D, PRO14E, PRO235D, PRO32E, PRO47D, SER11D, SER11E, SER13D, SER207D, SER28E, SER33E, SER52E, SER55E, SER57E, SER61E, SER92D, THR10D, THR190D, THR200D, THR233D, THR240D, THR94D, TRP204D, TRP244D, TRP60E, TRP95E, TYR10E, TYR113D, TYR116D, TYR118D, TYR123D, TYR26E, TYR27D, TYR63E, TYR66E, TYR67E, TYR7D, TYR99D, VAL12D, VAL194D, VAL231D, VAL25D, VAL27E, VAL34D, VAL95D, VAL9E
• D-F: ALA117D, ALA139D, ALA140D, ALA149D, ALA150D, ALA153D, ALA158D, ALA24D, ALA69D, ARG0F, ARG157D, ARG170D, ARG35D, ARG65D, ARG6D, ARG75D, ARG97D, ASN4F, ASP77D, CYS164D, GLN115D, GLN155D, GLN3F, GLN72D, GLN96D, GLU148D, GLU154D, GLU166D, GLU55D, GLU58D, GLU63D, GLY100D, GLY26D, GLY62D, HIS114D, HIS151D, HIS70D, HIS74D, ILE124D, ILE52D, ILE9F, LEU156D, LEU160D, LEU168D, LEU1F, LEU78D, LEU81D, LYS144D, LYS146D, LYS66D, LYS68D, MET45D, MET5D, PHE22D, PHE33D, PHE36D, PHE8D, PHE9D, PRO5F, SER71D, THR142D, THR143D, THR163D, THR64D, THR6F, THR73D, THR7F, THR80D, TRP133D, TRP147D, TRP167D, TRP51D, TRP60D, TYR116D, TYR118D, TYR123D, TYR159D, TYR171D, TYR27D, TYR2F, TYR59D, TYR7D, TYR84D, TYR85D, TYR8F, TYR99D, VAL152D, VAL25D, VAL28D, VAL34D, VAL67D, VAL76D, VAL95D
• D-H: ARG108D, ARG169D, ASN17H, ASN42H, ASP106D, ASP76H, GLN180D, GLU173D, GLU177D, GLU44H, GLY18H, GLY265D, GLY43H, LYS176D, LYS19H, LYS41H, LYS48H, LYS75H, PRO267D, THR182D, THR71H, TRP107D
• G-H: ALA117G, ALA125G, ALA15H, ALA236G, ALA246G, ALA24G, ARG12H, ARG14G, ARG17G, ARG202G, ARG21G, ARG234G, ARG35G, ARG3H, ARG48G, ARG6G, ARG97G, ARG97H, ASN21H, ASN24H, ASP119G, ASP122G, ASP238G, ASP30G, ASP34H, ASP37G, ASP53H, ASP59H, ASP96H, ASP98H, CYS25H, GLN115G, GLN242G, GLN2H, GLN32G, GLN87G, GLN8H, GLN96G, GLU229G, GLU232G, GLU46G, GLU50H, GLY120G, GLY237G, GLY239G, GLY26G, GLY29H, GLY91G, HIS114G, HIS13H, HIS188G, HIS191G, HIS192G, HIS31H, HIS51H, HIS74G, HIS93G, ILE124G, ILE1H, ILE23G, ILE7H, LEU206G, LEU230G, LEU54H, LEU64H, LEU65H, LYS121G, LYS186G, LYS243G, LYS58H, LYS6H, MET0H, MET98G, MET99H, PHE22G, PHE22H, PHE241G, PHE30H, PHE36G, PHE56H, PHE62H, PHE8G, PHE9G, PRO14H, PRO235G, PRO32H, PRO47G, SER11G, SER11H, SER13G, SER207G, SER28H, SER33H, SER52H, SER55H, SER57H, SER61H, SER92G, THR10G, THR190G, THR200G, THR233G, THR240G, THR94G, TRP204G, TRP244G, TRP60H, TRP95H, TYR10H, TYR113G, TYR116G, TYR118G, TYR123G, TYR26H, TYR27G, TYR63H, TYR66H, TYR67H, TYR7G, TYR99G, VAL12G, VAL194G, VAL231G, VAL25G, VAL27H, VAL34G, VAL95G, VAL9H
• G-I: ALA117G, ALA139G, ALA140G, ALA149G, ALA150G, ALA153G, ALA158G, ALA24G, ALA69G, ARG0I, ARG157G, ARG170G, ARG35G, ARG65G, ARG6G, ARG75G, ARG82G, ARG97G, ASN4I, ASP61G, ASP77G, CYS164G, GLN115G, GLN155G, GLN3I, GLN72G, GLN96G, GLU154G, GLU166G, GLU55G, GLU58G, GLU63G, GLY100G, GLY26G, GLY62G, HIS114G, HIS151G, HIS70G, HIS74G, ILE124G, ILE52G, ILE9I, LEU156G, LEU160G, LEU168G, LEU1I, LEU78G, LEU81G, LYS144G, LYS146G, LYS66G, LYS68G, MET45G, MET5G, PHE22G, PHE33G, PHE36G, PHE8G, PHE9G, PRO5I, SER71G, THR142G, THR143G, THR163G, THR64G, THR6I, THR73G, THR7I, THR80G, TRP133G, TRP147G, TRP167G, TRP60G, TYR116G, TYR118G, TYR123G, TYR159G, TYR171G, TYR27G, TYR2I, TYR59G, TYR7G, TYR84G, TYR85G, TYR8I, TYR99G, VAL152G, VAL25G, VAL28G, VAL34G, VAL67G, VAL76G, VAL95G
• G-J: ALA158J, ARG108G, ARG108J, ARG111G, ARG131J, ARG157J, ARG169J, ARG170J, ARG273G, ARG6G, ASN174J, ASP106G, ASP106J, ASP129J, ASP223G, CYS259G, GLN180J, GLN218G, GLN262G, GLN54J, GLU128G, GLU154J, GLU161G, GLU161J, GLU166J, GLU173J, GLU212G, GLU222G, GLU264G, GLY104G, GLY104J, GLY175J, GLY1G, GLY1J, GLY221G, HIS260G, HIS3J, LEU110G, LEU172J, LEU270G, LYS127G, LYS176J, LYS268G, LYS268J, PHE109G, PRO267G, PRO267J, PRO269G, SER105G, SER105J, SER2G, THR214G, THR216G, THR258G, THR271G, TRP107G, TRP107J, TRP167J, TYR113G, VAL103G, VAL261G
• H-J: ARG108J, ASP106J, LYS58H
• J-K: ALA117J, ALA125J, ALA236J, ALA246J, ALA24J, ARG12K, ARG14J, ARG17J, ARG202J, ARG21J, ARG234J, ARG35J, ARG3K, ARG48J, ARG6J, ARG97J, ARG97K, ASN21K, ASN24K, ASP119J, ASP122J, ASP238J, ASP29J, ASP30J, ASP34K, ASP37J, ASP53K, ASP59K, ASP96K, ASP98K, CYS25K, GLN115J, GLN242J, GLN2K, GLN32J, GLN87J, GLN8K, GLN96J, GLU229J, GLU232J, GLU46J, GLU50K, GLY120J, GLY237J, GLY239J, GLY26J, GLY29K, GLY91J, HIS114J, HIS13K, HIS188J, HIS191J, HIS192J, HIS31K, HIS51K, HIS74J, HIS93J, ILE124J, ILE1K, ILE23J, ILE7K, LEU206J, LEU230J, LEU54K, LEU64K, LEU65K, LYS121J, LYS186J, LYS243J, LYS58K, LYS6K, MET0K, MET98J, MET99K, PHE22J, PHE22K, PHE241J, PHE30K, PHE36J, PHE56K, PHE62K, PHE8J, PHE9J, PRO14K, PRO235J, PRO32K, PRO47J, SER11J, SER11K, SER13J, SER207J, SER28K, SER33K, SER52K, SER55K, SER57K, SER61K, SER92J, THR10J, THR190J, THR200J, THR233J, THR240J, THR94J, TRP204J, TRP244J, TRP60K, TRP95K, TYR10K, TYR113J, TYR116J, TYR118J, TYR123J, TYR26K, TYR27J, TYR63K, TYR67K, TYR7J, TYR99J, VAL12J, VAL194J, VAL231J, VAL25J, VAL27K, VAL34J, VAL95J, VAL9K
• J-L: ALA117J, ALA139J, ALA140J, ALA149J, ALA150J, ALA153J, ALA158J, ALA24J, ALA69J, ARG0L, ARG157J, ARG170J, ARG35J, ARG65J, ARG6J, ARG75J, ARG82J, ARG97J, ASN4L, ASP61J, ASP77J, CYS164J, GLN115J, GLN155J, GLN3L, GLN72J, GLN96J, GLU148J, GLU154J, GLU166J, GLU55J, GLU58J, GLU63J, GLY100J, GLY162J, GLY26J, GLY62J, GLY79J, HIS114J, HIS151J, HIS70J, HIS74J, ILE124J, ILE52J, ILE9L, LEU156J, LEU160J, LEU168J, LEU1L, LEU78J, LEU81J, LYS144J, LYS146J, LYS66J, LYS68J, MET45J, MET5J, PHE22J, PHE33J, PHE36J, PHE8J, PHE9J, PRO5L, SER71J, THR142J, THR143J, THR163J, THR64J, THR6L, THR73J, THR7L, THR80J, TRP133J, TRP147J, TRP167J, TRP51J, TRP60J, TYR116J, TYR118J, TYR123J, TYR159J, TYR171J, TYR2L, TYR59J, TYR7J, TYR84J, TYR85J, TYR8L, TYR99J, VAL152J, VAL165J, VAL25J, VAL28J, VAL34J, VAL67J, VAL76J, VAL95J