3MGT

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

• Total interactions analyzed: 66
• Total true interactions: 15
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 126
  • Norm. En. per Res.: -4.5863
• 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	-80.8422	-99.9575	-409.966	-590.7657	130	10	2	13763	7	44	41
A-C	-44.6998	-2.9781	-295.873	-343.5509	90	14	6	10740	0	7	9
A-D	0.0	4.6003	-2.9374	1.6629	20	0	0	217	1	19	11
A-E	0.0	-20.4798	-53.1621	-73.6419	27	0	0	2321	0	16	11
A-J	-8.653	-36.4623	-60.3999	-105.5152	63	3	0	3301	5	37	37
C-D	0.0	0.0	-7.9543	-7.9543	8	0	0	282	0	0	0
C-E	0.0	0.0	-0.3412	-0.3412	5	0	0	57	0	1	1
D-E	-66.9212	-107.3432	-399.597	-573.8614	126	8	2	13627	6	46	42
D-F	-58.1883	-3.0142	-306.265	-367.4674	89	17	6	10873	0	7	9
D-G	-5.4007	-39.6545	-62.5727	-107.628	61	2	0	3346	5	36	37
E-J	0.0	-7.2212	-4.6424	-11.8635	22	0	0	467	1	17	22
G-H	-72.4959	-98.2965	-407.082	-577.8744	126	10	2	13702	8	45	41
G-I	-39.2349	-3.045	-302.424	-344.7038	88	14	6	10812	0	7	9
J-K	-65.7651	-105.8149	-402.6	-574.1799	126	8	2	13612	7	46	41
J-L	-55.5541	-2.2644	-304.22	-362.0385	89	16	6	10881	0	8	9

Interface residues

• A-B: ALA117A, ALA125A, ALA15B, ALA236A, ALA246A, ALA24A, ARG12B, ARG14A, ARG202A, ARG21A, ARG234A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN21B, ASN24B, ASP102A, 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, SER88A, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR85A, TYR99A, VAL12A, VAL231A, VAL25A, VAL27B, VAL34A, VAL95A, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA24A, ALA69A, ARG157A, ARG170A, ARG65A, ARG75A, ARG82A, ARG97A, ASN5C, ASP77A, CYS164A, GLN115A, GLN155A, GLN4C, GLN72A, GLN96A, GLU154A, GLU166A, GLU55A, GLU58A, GLU63A, GLY100A, GLY26A, GLY62A, GLY79A, HIS114A, HIS151A, HIS70A, HIS74A, ILE10C, ILE124A, ILE52A, LEU156A, LEU160A, LEU168A, LEU2C, LEU78A, LEU81A, LYS144A, LYS146A, LYS1C, LYS66A, LYS68A, MET45A, MET5A, PHE22A, PHE33A, PHE36A, PHE8A, PHE9A, PRO6C, SER71A, THR142A, THR143A, THR163A, THR64A, THR73A, THR7C, THR80A, THR8C, TRP133A, TRP147A, TRP167A, TRP60A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR3C, TYR59A, TYR7A, TYR84A, TYR85A, TYR99A, TYR9C, VAL152A, VAL165A, VAL25A, VAL28A, VAL34A, VAL67A, VAL76A, VAL95A
• A-D: ALA69A, ARG181D, ARG65A, ARG75A, ASP238D, ASP61A, GLN43A, GLN54D, GLN72A, GLU177D, GLU53D, GLU58A, LYS68A, PRO50D, SER207D, THR240D, THR64A, THR73A, TRP51D, VAL76A
• A-E: ARG12E, ARG170A, ARG44A, ARG65A, ASN174A, ASN21E, ASP61A, GLN54A, GLU16E, GLU53A, GLU55A, GLU58A, GLU69E, GLY18E, GLY56A, GLY62A, HIS13E, LYS19E, PHE22E, PHE70E, PRO14E, PRO57A, SER20E, THR71E, TRP167A, TRP60A, TYR59A
• A-J: ALA158A, ARG108A, ARG108J, ARG111J, ARG131A, ARG157A, ARG157J, ARG169A, ARG170A, ARG219J, ASN174A, ASP102J, ASP106A, ASP106J, ASP129A, ASP129J, ASP220J, ASP223J, GLN155A, GLN180A, GLN218J, GLN224J, GLN262J, GLU128J, GLU154A, GLU161A, GLU161J, GLU166A, GLU173A, GLU212J, GLU222J, GLY104A, GLY104J, GLY1A, GLY1J, GLY221J, HIS260J, ILE213J, LEU110J, LEU130A, LEU130J, LEU172A, LYS127J, LYS176A, LYS268J, PHE109A, PHE109J, PRO267A, PRO267J, PRO269J, SER105A, SER105J, SER2J, THR214J, THR216J, THR258J, THR271J, TRP107A, TRP107J, TRP167A, TRP217J, TYR113J, VAL103J
• C-D: ASN5C, GLN54D, GLU53D, PRO50D, PRO6C, THR7C, THR8C, TYR9C
• C-E: GLN4C, GLU69E, LYS1C, PHE22E, SER20E
• D-E: ALA117D, ALA125D, ALA15E, ALA236D, ALA246D, ALA24D, ARG12E, ARG14D, 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, VAL231D, VAL25D, VAL27E, VAL34D, VAL95D, VAL9E
• D-F: ALA117D, ALA139D, ALA140D, ALA150D, ALA153D, ALA158D, ALA24D, ALA69D, ARG157D, ARG170D, ARG65D, ARG6D, ARG75D, ARG82D, ARG97D, ASN5F, ASP77D, CYS164D, GLN115D, GLN155D, GLN4F, GLN72D, GLN96D, GLU154D, GLU166D, GLU55D, GLU58D, GLU63D, GLY100D, GLY26D, GLY62D, HIS114D, HIS151D, HIS70D, HIS74D, ILE10F, ILE124D, ILE52D, LEU156D, LEU160D, LEU168D, LEU2F, LEU78D, LEU81D, LYS144D, LYS146D, LYS1F, LYS66D, LYS68D, MET45D, MET5D, PHE22D, PHE33D, PHE36D, PHE8D, PHE9D, PRO6F, SER71D, THR142D, THR143D, THR163D, THR64D, THR73D, THR7F, THR80D, THR8F, TRP133D, TRP147D, TRP167D, TRP60D, TYR116D, TYR118D, TYR123D, TYR159D, TYR171D, TYR3F, TYR59D, TYR7D, TYR84D, TYR85D, TYR99D, TYR9F, VAL152D, VAL25D, VAL28D, VAL34D, VAL67D, VAL76D, VAL95D
• D-G: ALA158G, ARG108D, ARG108G, ARG111D, ARG131G, ARG157D, ARG157G, ARG169G, ARG170G, ARG219D, ASN174G, ASP106D, ASP106G, ASP129G, ASP220D, ASP223D, GLN155G, GLN180G, GLN218D, GLN224D, GLN262D, GLU128D, GLU154G, GLU161D, GLU161G, GLU166G, GLU173G, GLU212D, GLU222D, GLY104D, GLY104G, GLY1D, GLY1G, GLY221D, HIS260D, ILE213D, LEU110D, LEU130D, LEU130G, LEU172G, LYS127D, LYS176G, LYS268D, PHE109D, PHE109G, PRO267D, PRO267G, PRO269D, SER105D, SER105G, SER132G, SER2D, THR214D, THR216D, THR271D, TRP107D, TRP107G, TRP167G, TRP217D, TYR113D, VAL103D
• E-J: ARG108J, ARG169J, ARG45E, ASN42E, ASP106J, ASP76E, GLN180J, GLU173J, GLU177J, GLU44E, GLU47E, GLY18E, ILE46E, LYS176J, LYS41E, LYS48E, LYS75E, PRO267J, THR182J, THR71E, THR73E, TRP107J
• G-H: ALA117G, ALA125G, ALA15H, ALA236G, ALA246G, ALA24G, ARG12H, ARG14G, ARG202G, ARG21G, ARG234G, ARG35G, ARG3H, ARG48G, ARG6G, ARG97G, ARG97H, ASN21H, ASN24H, ASP119G, ASP122G, ASP238G, ASP29G, 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, 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, VAL231G, VAL25G, VAL27H, VAL34G, VAL95G, VAL9H
• G-I: ALA117G, ALA139G, ALA140G, ALA150G, ALA158G, ALA24G, ALA69G, ARG157G, ARG170G, ARG65G, ARG75G, ARG82G, ARG97G, ASN5I, ASP77G, CYS164G, GLN115G, GLN155G, GLN4I, GLN72G, GLN96G, GLU154G, GLU166G, GLU55G, GLU58G, GLU63G, GLY100G, GLY26G, GLY62G, GLY79G, HIS114G, HIS151G, HIS70G, HIS74G, ILE10I, ILE124G, ILE52G, LEU156G, LEU160G, LEU168G, LEU2I, LEU78G, LEU81G, LYS144G, LYS146G, LYS1I, LYS66G, LYS68G, MET45G, MET5G, PHE22G, PHE33G, PHE36G, PHE8G, PHE9G, PRO6I, SER71G, THR142G, THR143G, THR163G, THR64G, THR73G, THR7I, THR80G, THR8I, TRP133G, TRP147G, TRP167G, TRP60G, TYR116G, TYR118G, TYR123G, TYR159G, TYR171G, TYR3I, TYR59G, TYR7G, TYR84G, TYR85G, TYR99G, TYR9I, VAL152G, VAL25G, VAL28G, VAL34G, VAL67G, VAL76G, VAL95G
• J-K: ALA117J, ALA125J, ALA15K, ALA236J, ALA246J, ALA24J, ARG12K, ARG14J, ARG202J, ARG21J, ARG234J, ARG35J, ARG3K, ARG48J, ARG6J, ARG97J, ARG97K, ASN21K, ASN24K, ASP119J, ASP122J, ASP238J, 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, TYR66K, TYR67K, TYR7J, TYR99J, VAL12J, VAL231J, VAL25J, VAL27K, VAL34J, VAL95J, VAL9K
• J-L: ALA117J, ALA139J, ALA140J, ALA150J, ALA153J, ALA158J, ALA24J, ALA69J, ARG157J, ARG170J, ARG65J, ARG75J, ARG82J, ARG97J, ASN5L, ASP77J, CYS164J, GLN115J, GLN155J, GLN4L, GLN72J, GLN96J, GLU154J, GLU166J, GLU55J, GLU58J, GLU63J, GLY100J, GLY26J, GLY62J, HIS114J, HIS151J, HIS70J, HIS74J, ILE10L, ILE124J, ILE52J, LEU156J, LEU160J, LEU168J, LEU2L, LEU78J, LEU81J, LYS144J, LYS146J, LYS1L, LYS66J, LYS68J, MET45J, MET5J, PHE22J, PHE33J, PHE36J, PHE8J, PHE9J, PRO6L, SER71J, THR142J, THR143J, THR163J, THR64J, THR73J, THR7L, THR80J, THR8L, TRP133J, TRP147J, TRP167J, TRP60J, TYR116J, TYR118J, TYR123J, TYR159J, TYR171J, TYR3L, TYR59J, TYR7J, TYR84J, TYR85J, TYR99J, TYR9L, VAL152J, VAL165J, VAL25J, VAL28J, VAL34J, VAL67J, VAL76J, VAL95J