3JTT

cystal structure of rhesus macaque mhc class i:mamu-a*02

• Total interactions analyzed: 36
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 124
  • Norm. En. per Res.: -4.2009
• 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	-42.5154	-106.177	-356.529	-505.2214	125	14	3	12993	6	43	43
A-C	-39.8328	2.3985	-272.268	-309.7023	87	22	2	9459	0	3	8
A-D	-25.0443	6.3625	-123.422	-142.1037	67	5	0	5053	2	36	36
A-G	-21.0526	4.7838	-120.92	-137.1888	66	5	0	5084	2	37	34
A-H	-2.0931	-48.3236	-13.2217	-63.6384	25	3	0	868	6	9	17
B-D	0.0	-47.4132	-11.3742	-58.7874	23	3	0	851	6	9	16
D-E	-51.0817	-109.4063	-360.423	-520.911	124	17	3	13067	6	43	43
D-F	-46.0709	2.3666	-285.301	-329.0053	90	13	2	9453	0	3	7
D-G	-19.5562	8.3933	-117.039	-128.202	68	5	0	5037	2	36	33
E-G	-2.1753	-50.8211	-18.7689	-71.7654	26	3	0	866	6	9	16
G-H	-41.4692	-107.7399	-356.55	-505.7591	125	14	3	13028	6	43	43
G-I	-14.0756	2.3197	-253.659	-265.4149	88	22	2	9447	0	3	7

Interface residues

• A-B: ALA117A, ALA125A, ALA236A, ALA246A, ALA24A, ARG111A, ARG13B, ARG14A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG4B, ARG6A, ARG97A, ARG98B, ASN25B, ASP119A, ASP122A, ASP238A, ASP30A, ASP35B, ASP37A, ASP54B, ASP60B, ASP97B, ASP99B, CYS26B, GLN115A, GLN242A, GLN32A, GLN3B, GLN87A, GLN96A, GLN9B, GLU229A, GLU232A, GLU46A, GLU51B, GLY120A, GLY207A, GLY237A, GLY239A, GLY26A, GLY30B, GLY91A, HIS114A, HIS14B, HIS188A, HIS191A, HIS192A, HIS32B, HIS52B, HIS93A, ILE124A, ILE23A, ILE2B, ILE36B, ILE8B, ILE95A, LEU206A, LEU230A, LEU55B, LEU65B, LEU66B, LYS121A, LYS186A, LYS243A, LYS59B, LYS7B, MET100B, MET12A, MET1B, MET98A, PHE22A, PHE23B, PHE241A, PHE31B, PHE36A, PHE57B, PHE63B, PHE8A, PRO15B, PRO16B, PRO235A, PRO33B, SER116A, SER11A, SER12B, SER13A, SER29B, SER34B, SER53B, SER56B, SER58B, SER62B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP61B, TRP96B, TYR113A, TYR118A, TYR11B, TYR123A, TYR27A, TYR27B, TYR64B, TYR67B, TYR68B, TYR7A, TYR99A, TYR9A, VAL10B, VAL231A, VAL25A, VAL28B, VAL34A
• A-C: ALA117A, ALA139A, ALA140A, ALA149A, ALA150A, ALA24A, ALA69A, ALA74A, ARG145A, ARG170A, ARG62A, ARG65A, ARG79A, ARG8C, ARG97A, ASN142A, ASN66A, ASN73A, ASN77A, ASN80A, CYS101A, CYS164A, GLN115A, GLN144A, GLN155A, GLN72A, GLN96A, GLU148A, GLU152A, GLU163A, GLU166A, GLU55A, GLU58A, GLU63A, GLU70A, GLY100A, GLY151A, GLY162A, GLY26A, GLY4C, GLY6C, HIS114A, HIS156A, ILE124A, ILE7C, ILE95A, LEU160A, LEU165A, LEU168A, LEU78A, LEU81A, LYS146A, LYS68A, MET45A, MET5A, MET67A, MET98A, PHE22A, PHE33A, PHE36A, PRO5C, PRO75A, SER116A, SER11A, SER3C, THR143A, THR2C, THR64A, THR71A, TRP147A, TRP167A, TRP60A, TYR118A, TYR123A, TYR159A, TYR171A, TYR1C, TYR59A, TYR7A, TYR84A, TYR99A, TYR9A, TYR9C, VAL28A, VAL34A, VAL52A, VAL76A
• A-D: ALA182A, ALA182D, ALA49A, ARG169A, ARG170A, ARG181A, ARG181D, ARG267A, ARG267D, ARG48A, ASN174A, ASP106D, ASP183A, ASP183D, ASP238A, ASP29A, ASP30A, GLN180A, GLN180D, GLN262D, GLN32A, GLN54A, GLU173A, GLU177A, GLU177D, GLU212D, GLU264D, GLU268D, GLU53A, GLY104D, GLY107D, GLY175A, GLY1D, GLY207A, GLY237A, GLY239A, GLY265D, HIS263A, HIS263D, HIS3D, LEU103D, LEU172A, LEU172D, LEU179A, LEU179D, LEU266D, LEU270D, LYS176A, LYS176D, PHE208A, PHE241A, PRO105D, PRO184D, PRO185D, PRO210A, PRO210D, PRO235A, PRO269D, PRO50A, SER2D, THR178A, THR240A, THR31A, TRP51A, TYR171A, TYR209A, TYR209D
• A-G: ALA182A, ALA182G, ALA236G, ALA49G, ARG169G, ARG170G, ARG181A, ARG181G, ARG267A, ARG267G, ARG48G, ASN174G, ASP106A, ASP183A, ASP183G, ASP238G, ASP29G, ASP30G, GLN180A, GLN180G, GLN262A, GLN32G, GLN54G, GLU173G, GLU177A, GLU177G, GLU212A, GLU264A, GLU268A, GLU53G, GLY104A, GLY107A, GLY175G, GLY1A, GLY207G, GLY237G, GLY239G, GLY265A, HIS263A, HIS263G, HIS3A, LEU103A, LEU172A, LEU172G, LEU179A, LEU179G, LEU266A, LEU270A, LYS176A, LYS176G, PHE208G, PHE241G, PRO105A, PRO184A, PRO184G, PRO210A, PRO210G, PRO269A, PRO50G, SER2A, THR178G, THR240G, THR31G, TRP51G, TYR209A, TYR209G
• A-H: ARG13H, ARG256A, ARG273A, ASN22H, ASP220A, GLN255A, GLU268A, GLU275A, GLU70H, GLY19H, GLY221A, HIS14H, LEU270A, LEU272A, LYS20H, LYS49H, PHE23H, PHE71H, PRO21H, PRO269A, PRO276A, THR258A, THR271A, THR72H, TRP274A
• B-D: ARG13B, ARG273D, ASN22B, GLN255D, GLU268D, GLU275D, GLU70B, GLY19B, HIS14B, LEU270D, LEU272D, LEU66B, LYS20B, PHE23B, PHE71B, PRO21B, PRO269D, PRO276D, THR258D, THR271D, THR72B, TRP274D, TYR68B
• D-E: ALA117D, ALA125D, ALA236D, ALA246D, ALA24D, ARG111D, ARG13E, ARG14D, ARG202D, ARG21D, ARG234D, ARG35D, ARG48D, ARG4E, ARG6D, ARG97D, ARG98E, ASN25E, ASP119D, ASP122D, ASP238D, ASP30D, ASP35E, ASP37D, ASP54E, ASP60E, ASP97E, ASP99E, CYS26E, GLN115D, GLN242D, GLN32D, GLN3E, GLN87D, GLN96D, GLN9E, GLU229D, GLU232D, GLU46D, GLU51E, GLY120D, GLY207D, GLY237D, GLY239D, GLY26D, GLY30E, GLY91D, HIS114D, HIS14E, HIS188D, HIS191D, HIS192D, HIS32E, HIS52E, HIS93D, ILE124D, ILE23D, ILE2E, ILE36E, ILE8E, ILE95D, LEU206D, LEU230D, LEU55E, LEU65E, LEU66E, LYS121D, LYS186D, LYS243D, LYS59E, LYS7E, MET100E, MET12D, MET1E, MET98D, PHE22D, PHE23E, PHE241D, PHE31E, PHE36D, PHE57E, PHE63E, PHE8D, PRO15E, PRO16E, PRO235D, PRO33E, SER116D, SER11D, SER12E, SER29E, SER34E, SER53E, SER56E, SER58E, SER62E, SER92D, THR10D, THR190D, THR200D, THR233D, THR240D, THR94D, TRP204D, TRP244D, TRP61E, TRP96E, TYR113D, TYR118D, TYR11E, TYR123D, TYR27D, TYR27E, TYR64E, TYR67E, TYR68E, TYR7D, TYR99D, TYR9D, VAL10E, VAL231D, VAL25D, VAL28E, VAL34D
• D-F: ALA117D, ALA139D, ALA140D, ALA149D, ALA150D, ALA153D, ALA24D, ALA69D, ALA74D, ARG145D, ARG170D, ARG62D, ARG65D, ARG79D, ARG82D, ARG8F, ARG97D, ASN142D, ASN66D, ASN73D, ASN77D, ASN80D, CYS164D, GLN115D, GLN144D, GLN155D, GLN72D, GLN96D, GLU148D, GLU152D, GLU163D, GLU166D, GLU58D, GLU63D, GLU70D, GLY100D, GLY151D, GLY162D, GLY26D, GLY4F, GLY6F, HIS114D, HIS156D, ILE124D, ILE7F, ILE95D, LEU160D, LEU165D, LEU168D, LEU78D, LEU81D, LYS146D, LYS68D, MET45D, MET5D, MET67D, MET98D, PHE22D, PHE33D, PHE36D, PHE8D, PRO5F, PRO75D, SER116D, SER11D, SER3F, THR143D, THR2F, THR64D, THR71D, TRP133D, TRP147D, TRP167D, TRP51D, TYR118D, TYR123D, TYR159D, TYR171D, TYR1F, TYR59D, TYR7D, TYR84D, TYR99D, TYR9D, TYR9F, VAL25D, VAL28D, VAL34D, VAL52D, VAL76D
• D-G: ALA182D, ALA182G, ALA236D, ALA49D, ARG169D, ARG170D, ARG181D, ARG181G, ARG267D, ARG267G, ARG48D, ASN174D, ASP106G, ASP183D, ASP183G, ASP238D, ASP29D, ASP30D, GLN180D, GLN180G, GLN262G, GLN32D, GLN54D, GLU173D, GLU177D, GLU177G, GLU212G, GLU264G, GLU268G, GLU53D, GLY104G, GLY107G, GLY175D, GLY1G, GLY207D, GLY237D, GLY239D, GLY265G, HIS263D, HIS263G, HIS3G, LEU103G, LEU172D, LEU172G, LEU179D, LEU179G, LEU266G, LEU270G, LYS176D, LYS176G, PHE208D, PHE241D, PRO105G, PRO184D, PRO184G, PRO185G, PRO210D, PRO210G, PRO269G, PRO50D, SER2G, THR178D, THR240D, THR31D, TRP51D, TYR171D, TYR209D, TYR209G
• E-G: ARG13E, ARG256G, ARG273G, ASN22E, ASP220G, GLN255G, GLU268G, GLU275G, GLU70E, GLY19E, GLY221G, HIS14E, LEU270G, LEU272G, LYS20E, LYS49E, PHE23E, PHE71E, PRO21E, PRO269G, PRO276G, THR258G, THR271G, THR72E, TRP274G, TYR68E
• G-H: ALA117G, ALA125G, ALA236G, ALA246G, ALA24G, ARG111G, ARG13H, ARG14G, ARG202G, ARG21G, ARG234G, ARG35G, ARG48G, ARG4H, ARG6G, ARG97G, ARG98H, ASN25H, ASP119G, ASP122G, ASP238G, ASP30G, ASP35H, ASP37G, ASP54H, ASP60H, ASP97H, ASP99H, CYS26H, GLN115G, GLN242G, GLN32G, GLN3H, GLN87G, GLN96G, GLN9H, GLU229G, GLU232G, GLU46G, GLU51H, GLY120G, GLY207G, GLY237G, GLY239G, GLY26G, GLY30H, GLY91G, HIS114G, HIS14H, HIS188G, HIS191G, HIS192G, HIS32H, HIS52H, HIS93G, ILE124G, ILE23G, ILE2H, ILE36H, ILE8H, ILE95G, LEU206G, LEU230G, LEU55H, LEU65H, LEU66H, LYS121G, LYS186G, LYS243G, LYS59H, LYS7H, MET100H, MET12G, MET1H, MET98G, PHE22G, PHE23H, PHE241G, PHE31H, PHE36G, PHE57H, PHE63H, PHE8G, PRO15H, PRO16H, PRO235G, PRO33H, SER116G, SER11G, SER12H, SER13G, SER29H, SER34H, SER53H, SER56H, SER58H, SER62H, SER92G, THR10G, THR190G, THR200G, THR233G, THR240G, THR94G, TRP204G, TRP244G, TRP61H, TRP96H, TYR113G, TYR118G, TYR11H, TYR123G, TYR27G, TYR27H, TYR64H, TYR67H, TYR68H, TYR7G, TYR99G, TYR9G, VAL10H, VAL231G, VAL25G, VAL28H, VAL34G
• G-I: ALA117G, ALA139G, ALA140G, ALA149G, ALA150G, ALA24G, ALA69G, ALA74G, ARG145G, ARG170G, ARG62G, ARG65G, ARG6G, ARG79G, ARG8I, ARG97G, ASN142G, ASN66G, ASN73G, ASN77G, ASN80G, CYS101G, CYS164G, GLN115G, GLN144G, GLN155G, GLN72G, GLN96G, GLU148G, GLU152G, GLU163G, GLU166G, GLU55G, GLU58G, GLU63G, GLU70G, GLY100G, GLY151G, GLY162G, GLY26G, GLY4I, GLY6I, HIS114G, HIS156G, ILE124G, ILE7I, ILE95G, LEU160G, LEU165G, LEU168G, LEU78G, LEU81G, LYS146G, LYS68G, MET45G, MET5G, MET67G, MET98G, PHE22G, PHE33G, PRO5I, PRO75G, SER116G, SER11G, SER3I, THR143G, THR2I, THR64G, THR71G, TRP133G, TRP147G, TRP167G, TRP60G, TYR118G, TYR123G, TYR159G, TYR171G, TYR1I, TYR59G, TYR7G, TYR84G, TYR99G, TYR9G, TYR9I, VAL28G, VAL34G, VAL52G, VAL76G