2VE6

crystal structure of a murine mhc class i h2-db molecule in complex with a photocleavable peptide

• Total interactions analyzed: 66
• Total true interactions: 17
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 80
  • Norm. En. per Res.: -4.4599
• 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	-72.5499	-53.0737	-347.482	-473.1056	118	16	1	11687	2	35	34
A-C	-82.8993	0.0	-283.263	-366.1623	84	18	5	9043	0	0	0
A-D	-57.545	-74.8149	-181.828	-314.1879	121	9	1	7783	9	36	47
A-E	0.0	0.0	-11.5475	-11.5475	11	0	0	452	0	3	2
A-G	-7.1662	-24.2577	-4.618	-36.042	15	1	0	194	1	8	9
A-I	0.0	0.0	-0.4255	-0.4255	8	0	0	71	0	0	0
B-D	0.0	0.0	-11.3292	-11.3292	15	0	0	539	0	4	5
B-G	0.0	0.0	-0.0631	-0.0631	3	0	0	13	0	3	3
D-E	-30.6927	-42.2579	-397.951	-470.9016	129	12	2	13395	3	41	36
D-F	-74.5745	0.0	-282.219	-356.7935	80	21	6	9144	0	0	0
G-H	-46.2756	-64.9088	-346.496	-457.6804	124	15	1	12332	5	42	35
G-I	-78.5465	0.0	-267.823	-346.3695	79	17	4	8736	0	0	0
G-J	0.0	0.0	-0.0042	-0.0042	4	0	0	4	0	1	0
G-K	-6.9537	-1.2525	-71.1444	-79.3506	48	7	2	3321	0	17	12
H-K	0.0	-4.9207	-2.7353	-7.656	13	0	0	372	0	8	4
J-K	-38.9816	-47.5251	-313.771	-400.2777	116	11	1	11137	3	35	34
J-L	-46.1917	0.0	-266.438	-312.6297	81	17	5	8801	0	0	0

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA236A, ALA66B, ARG111A, ARG121A, ARG12B, ARG14A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97B, ASN24B, ASN30A, ASP102A, ASP122A, ASP238A, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN8B, GLN96A, GLN97A, GLU119A, GLU229A, GLU232A, GLU32A, GLU9A, GLY120A, GLY207A, GLY237A, GLY239A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, ILE124A, ILE22B, ILE23A, ILE64B, ILE7B, LEU114A, LEU206A, LEU230A, LEU65B, LEU95A, LYS186A, LYS243A, LYS3B, LYS58B, MET1B, MET54B, MET5A, MET98A, MET99B, PHE116A, PHE241A, PHE30B, PHE56B, PHE62B, PHE74A, PHE8A, PRO14B, PRO15B, PRO193A, PRO235A, PRO32B, PRO33B, SER11B, SER246A, SER24A, SER4A, SER52B, SER55B, SER57B, SER61B, SER92A, SER99A, THR10A, THR190A, THR200A, THR233A, THR240A, THR28B, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR7A, VAL12A, VAL231A, VAL25A, VAL27B, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA152A, ALA153A, ALA2C, ALA67A, ALA8C, ARG144A, ARG170A, ARG62A, ARG6A, ARG75A, ARG79A, ASN5C, ASN80A, CYS164A, GLN70A, GLN72A, GLN96A, GLN97A, GLU154A, GLU163A, GLU166A, GLU55A, GLU63A, GLU9A, GLY100A, GLY151A, GLY162A, GLY26A, GLY4C, GLY69A, HIS155A, ILE124A, ILE142A, LEU114A, LEU160A, LEU168A, LEU78A, LEU81A, LEU95A, LEU9C, LYS146A, LYS66A, MET52A, MET5A, MET98A, PHE116A, PHE1C, PHE33A, PHE36A, PHE74A, PHE8A, PRO3C, SER150A, SER24A, SER77A, SER99A, THR143A, THR64A, TRP133A, TRP147A, TRP167A, TRP60A, TRP73A, TYR113A, TYR118A, TYR123A, TYR156A, TYR159A, TYR171A, TYR22A, TYR45A, TYR59A, TYR6C, TYR7A, TYR84A, TYR85A, VAL165A, VAL25A, VAL28A, VAL34A, VAL76A
• A-D: ALA125A, ALA125D, ALA136A, ALA136D, ALA211A, ALA211D, ALA245A, ALA245D, ARG111A, ARG111D, ARG121A, ARG234A, ARG234D, ARG260A, ARG260D, ARG273A, ARG273D, ARG6D, ASN127A, ASN220A, ASN220D, ASN256A, ASN256D, ASN30A, ASN30D, ASP102A, ASP102D, ASP122A, ASP122D, ASP212A, ASP212D, ASP227A, ASP227D, GLN115A, GLN115D, GLN218A, GLN218D, GLN226A, GLN226D, GLN242A, GLN255A, GLN255D, GLU128A, GLU128D, GLU222A, GLU222D, GLU223A, GLU223D, GLU229A, GLU229D, GLU232A, GLU232D, GLU264A, GLU264D, GLU268A, GLU268D, GLU275D, GLY104D, GLY1A, GLY1D, GLY221A, GLY221D, GLY252A, GLY252D, HIS263A, HIS263D, ILE213A, ILE213D, LEU103D, LEU110A, LEU110D, LEU215A, LEU215D, LEU224A, LEU224D, LEU230A, LEU230D, LYS243A, LYS243D, LYS253A, LYS253D, MET228A, MET228D, MET98A, PHE8A, PRO210D, PRO269A, PRO269D, PRO276D, PRO2A, PRO2D, SER105A, SER105D, THR134A, THR134D, THR214A, THR214D, THR216A, THR216D, THR225A, THR225D, THR233A, THR233D, THR258A, THR258D, THR271A, THR271D, TRP217A, TRP217D, TRP244A, TRP244D, TRP274D, TYR113A, TYR113D, TYR123A, TYR262A, TYR262D, VAL231A, VAL231D, VAL261A, VAL261D
• A-E: ASN220A, ASN256A, ASP59E, GLN255A, GLU222A, GLY221A, LEU219A, LYS58E, SER57E, TRP60E, TYR257A
• A-G: ARG48A, ARG62G, ARG75G, ARG79G, GLN54A, GLN65G, GLN72G, GLU41A, GLU53A, GLU58G, LYS146G, PRO50A, PRO57A, SER150G, VAL76G
• A-I: ALA8I, ARG44A, ASN42A, GLU41A, GLU61A, PHE1I, PRO57A, TYR6I
• B-D: ARG273D, ASN220D, ASN256D, ASP59B, GLN29B, GLN8B, GLU222D, GLY221D, LEU219D, LYS253D, LYS58B, SER57B, SER61B, TRP60B, TYR26B
• B-G: ASN42G, GLU69B, LYS48B
• D-E: ALA117D, ALA11D, ALA125D, ALA187D, ALA205D, ALA236D, ALA66E, ARG111D, ARG121D, ARG12E, ARG14D, ARG202D, ARG21D, ARG234D, ARG35D, ARG48D, ARG6D, ARG97E, ASN21E, ASN24E, ASN30D, ASP102D, ASP122D, ASP183D, ASP238D, ASP37D, ASP53E, ASP59E, ASP96E, ASP98E, CYS25E, GLN115D, GLN242D, GLN29E, GLN2E, GLN6E, GLN8E, GLN96D, GLN97D, GLU119D, GLU229D, GLU232D, GLU32D, GLU50E, GLU69E, GLU9D, GLY120D, GLY207D, GLY237D, GLY239D, GLY26D, HIS13E, HIS188D, HIS191D, HIS192D, HIS31E, HIS34E, HIS67E, HIS93D, ILE124D, ILE22E, ILE23D, ILE64E, ILE7E, LEU114D, LEU206D, LEU23E, LEU65E, LEU95D, LYS186D, LYS243D, LYS3E, LYS58E, MET1E, MET51E, MET54E, MET98D, MET99E, PHE116D, PHE208D, PHE241D, PHE30E, PHE56E, PHE62E, PHE74D, PHE8D, PRO14E, PRO15E, PRO185D, PRO235D, PRO32E, PRO33E, SER11E, SER184D, SER246D, SER24D, SER52E, SER55E, SER57E, SER61E, SER92D, SER99D, THR10D, THR190D, THR200D, THR233D, THR240D, THR28E, THR68E, THR94D, TRP204D, TRP244D, TRP60E, TRP95E, TYR10E, TYR113D, TYR118D, TYR123D, TYR209D, TYR26E, TYR27D, TYR63E, TYR7D, VAL12D, VAL189D, VAL231D, VAL25D, VAL34D, VAL9E
• D-F: ALA117D, ALA139D, ALA140D, ALA152D, ALA153D, ALA2F, ALA67D, ALA8F, ARG144D, ARG170D, ARG62D, ARG6D, ARG75D, ARG79D, ASN5F, ASN80D, CYS164D, GLN115D, GLN70D, GLN72D, GLN96D, GLN97D, GLU163D, GLU166D, GLU55D, GLU63D, GLU9D, GLY100D, GLY151D, GLY26D, GLY4F, GLY69D, HIS155D, ILE124D, ILE142D, LEU114D, LEU160D, LEU168D, LEU78D, LEU81D, LEU95D, LEU9F, LYS146D, LYS66D, MET52D, MET5D, MET98D, PHE116D, PHE1F, PHE33D, PHE36D, PHE74D, PRO3F, SER150D, SER24D, SER77D, SER99D, THR143D, THR64D, TRP133D, TRP147D, TRP167D, TRP73D, TYR113D, TYR118D, TYR123D, TYR156D, TYR159D, TYR171D, TYR22D, TYR45D, TYR59D, TYR6F, TYR7D, TYR84D, TYR85D, VAL165D, VAL28D, VAL34D, VAL76D
• G-H: ALA117G, ALA11G, ALA125G, ALA136G, ALA236G, ALA66H, ARG111G, ARG121G, ARG12H, ARG14G, ARG202G, ARG21G, ARG234G, ARG35G, ARG48G, ARG6G, ARG97H, ASN21H, ASN24H, ASN30G, ASP102G, ASP122G, ASP238G, ASP37G, ASP53H, ASP59H, ASP96H, ASP98H, CYS25H, GLN115G, GLN242G, GLN29H, GLN2H, GLN6H, GLN8H, GLN96G, GLN97G, GLU119G, GLU229G, GLU232G, GLU32G, GLU50H, GLU9G, GLY120G, GLY207G, GLY237G, GLY239G, GLY26G, HIS13H, HIS188G, HIS191G, HIS192G, HIS31H, HIS34H, HIS67H, HIS93G, ILE124G, ILE22H, ILE23G, ILE35H, ILE64H, ILE7H, LEU114G, LEU206G, LEU230G, LEU23H, LEU65H, LEU95G, LYS186G, LYS243G, LYS3H, LYS58H, MET1H, MET51H, MET54H, MET98G, MET99H, PHE116G, PHE241G, PHE30H, PHE36G, PHE56H, PHE62H, PHE74G, PHE8G, PRO14H, PRO15H, PRO235G, PRO32H, PRO33H, SER11H, SER246G, SER24G, SER52H, SER55H, SER57H, SER61H, SER92G, SER99G, THR10G, THR190G, THR200G, THR233G, THR240G, THR28H, THR68H, THR94G, TRP204G, TRP244G, TRP60H, TRP95H, TYR10H, TYR113G, TYR118G, TYR123G, TYR26H, TYR27G, TYR63H, TYR7G, VAL12G, VAL231G, VAL25G, VAL27H, VAL9H
• G-I: ALA117G, ALA139G, ALA140G, ALA152G, ALA2I, ALA67G, ALA8I, ARG144G, ARG170G, ARG62G, ARG6G, ARG75G, ARG79G, ASN5I, ASN80G, CYS164G, GLN70G, GLN72G, GLN96G, GLN97G, GLU163G, GLU166G, GLU55G, GLU63G, GLU9G, GLY100G, GLY151G, GLY26G, GLY4I, GLY69G, HIS155G, ILE124G, ILE142G, LEU114G, LEU160G, LEU168G, LEU78G, LEU81G, LEU95G, LEU9I, LYS146G, LYS66G, MET52G, MET5G, MET98G, PHE116G, PHE1I, PHE33G, PHE36G, PHE74G, PHE8G, PRO3I, SER150G, SER24G, SER77G, SER99G, THR143G, THR64G, TRP133G, TRP147G, TRP167G, TRP73G, TYR113G, TYR118G, TYR123G, TYR156G, TYR159G, TYR171G, TYR22G, TYR45G, TYR59G, TYR6I, TYR7G, TYR84G, TYR85G, VAL165G, VAL28G, VAL34G, VAL76G
• G-J: GLU268G, LYS196J, PRO193J, PRO267G
• G-K: ALA177G, ALA236G, ALA49G, ALA79K, ARG181G, ARG81K, ASN174G, ASN176G, ASN17K, ASN42K, ASP183G, ASP238G, ASP76K, GLN38K, GLN54G, GLU53G, GLU74K, GLU89K, GLY175G, GLY207G, GLY237G, GLY239G, GLY43K, LEU179G, LEU180G, LEU40K, LYS173G, LYS186G, LYS31G, LYS41K, LYS44K, LYS45K, MET52G, PHE208G, PHE241G, PRO47G, PRO50G, THR178G, THR182G, THR240G, THR73K, THR75K, THR77K, THR92K, TRP51G, TYR209G, TYR78K, TYR94K
• H-K: ARG12H, ASN17K, ASP76K, GLU16K, GLU74K, GLY18K, HIS13H, LYS19H, LYS19K, PRO14H, PRO20H, THR73K, THR75K
• J-K: ALA117J, ALA11J, ALA125J, ALA236J, ARG121J, ARG12K, ARG14J, ARG202J, ARG21J, ARG234J, ARG35J, ARG48J, ARG6J, ARG97K, ASN24K, ASN30J, ASP102J, ASP122J, ASP238J, ASP37J, ASP53K, ASP59K, ASP96K, ASP98K, CYS25K, GLN115J, GLN242J, GLN29K, GLN2K, GLN6K, GLN87J, GLN8K, GLN96J, GLN97J, GLU119J, GLU229J, GLU232J, GLU32J, GLU9J, GLY120J, GLY207J, GLY237J, GLY239J, GLY26J, HIS13K, HIS188J, HIS191J, HIS192J, HIS31K, HIS34K, HIS67K, HIS93J, ILE124J, ILE22K, ILE23J, ILE64K, ILE7K, LEU114J, LEU206J, LEU230J, LEU65K, LEU95J, LYS243J, LYS3K, LYS58K, MET1K, MET51K, MET54K, MET98J, MET99K, PHE116J, PHE241J, PHE30K, PHE56K, PHE62K, PHE74J, PHE8J, PRO14K, PRO15K, PRO193J, PRO235J, PRO32K, PRO33K, SER11K, SER246J, SER24J, SER4J, SER52K, SER55K, SER57K, SER61K, SER92J, SER99J, THR10J, THR190J, THR200J, THR233J, THR240J, THR28K, THR94J, TRP204J, TRP244J, TRP60K, TRP95K, TYR10K, TYR113J, TYR118J, TYR123J, TYR26K, TYR27J, TYR63K, TYR7J, VAL12J, VAL231J, VAL25J, VAL9K
• J-L: ALA117J, ALA139J, ALA140J, ALA152J, ALA153J, ALA2L, ALA67J, ALA8L, ARG144J, ARG62J, ARG6J, ARG75J, ARG79J, ASN5L, ASN80J, CYS164J, GLN70J, GLN72J, GLN96J, GLN97J, GLU154J, GLU163J, GLU166J, GLU63J, GLU9J, GLY100J, GLY151J, GLY162J, GLY26J, GLY4L, GLY69J, HIS155J, ILE124J, ILE142J, LEU114J, LEU160J, LEU168J, LEU78J, LEU81J, LEU95J, LEU9L, LYS146J, LYS66J, MET52J, MET5J, MET98J, PHE116J, PHE1L, PHE33J, PHE36J, PHE74J, PHE8J, PRO3L, SER150J, SER24J, SER77J, SER99J, THR143J, THR64J, TRP133J, TRP147J, TRP167J, TRP60J, TRP73J, TYR113J, TYR118J, TYR123J, TYR156J, TYR159J, TYR171J, TYR22J, TYR45J, TYR59J, TYR6L, TYR7J, TYR84J, TYR85J, VAL165J, VAL28J, VAL34J, VAL76J