3C60

crystal structure of mouse mhc class ii i-ab/3k peptide complexed with mouse tcr yae62

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 223
  • Norm. En. per Res.: -6.0581
• 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	-55.3596	-86.6905	144.679	2.6289	208	30	15	22921	6	43	30
A-C	0.0	1.0801	-10.6975	-9.6174	13	3	0	608	0	1	1
A-D	0.0	0.0	-32.4306	-32.4306	34	3	0	1603	0	2	2
B-C	-22.1326	-13.0077	-110.291	-145.4313	44	18	3	3768	2	9	12
B-D	0.0	-21.2702	-38.8601	-60.1303	23	0	0	1534	0	8	6
C-D	-258.1493	-177.3857	-915.415	-1350.9501	223	51	24	33604	13	61	56
C-H	0.0	5.5631	-12.1589	-6.5958	15	0	0	608	0	9	5
D-G	-4.3417	4.4021	-13.8768	-13.8164	15	1	0	710	0	8	6
D-H	-34.5007	-19.6161	-175.805	-229.9218	78	19	5	7600	7	23	20
E-F	-64.0961	-88.0975	129.677	-22.5166	205	27	15	22962	6	44	30
E-G	0.0	2.3073	-13.2361	-10.9288	17	3	0	673	0	1	1
E-H	0.0	0.0	-39.2012	-39.2012	32	0	0	1616	0	3	2
F-G	-17.4132	-14.3878	-100.98	-132.781	44	16	3	3747	2	11	12
F-H	0.0	-21.4957	-42.6649	-64.1606	22	0	0	1545	0	8	6
G-H	-258.2759	-176.4209	-885.99	-1320.6868	225	57	26	33579	13	59	56

Interface residues

• A-B: ALA103B, ALA119A, ALA122B, ALA129B, ALA137B, ALA143B, ALA173A, ALA175A, ALA178B, ALA185B, ALA194B, ALA233B, ALA235B, ALA90A, ALA90B, ARG100A, ARG106B, ARG124A, ARG164A, ARG183B, ARG189B, ARG191B, ARG34B, ARG42B, ARG7B, ASN115A, ASN171A, ASN178A, ASN29B, ASN92A, ASP117A, ASP125A, ASP130A, ASP138A, ASP152A, ASP157A, ASP162A, ASP169B, ASP196A, ASP1A, ASP36B, ASP57B, ASP93B, ASP97B, CYS134A, CYS141B, CYS159A, CYS167B, CYS184A, CYS89A, CYS89B, GLN108A, GLN122A, GLN135B, GLN147A, GLN171B, GLN176B, GLN35B, GLN37A, GLN44A, GLN48A, GLN4B, GLN5A, GLN99A, GLU120B, GLU125B, GLU128B, GLU130B, GLU152B, GLU175B, GLU234B, GLU41A, GLU54B, GLY102A, GLY102B, GLY104A, GLY104B, GLY145B, GLY165B, GLY38B, GLY40A, GLY40B, GLY42A, GLY56B, GLY8A, GLY92B, GLY94A, GLY96B, HIS133B, HIS163B, HIS39B, ILE113A, ILE131B, ILE155A, ILE58B, LEU123A, LEU135A, LEU139B, LEU142B, LEU161A, LEU173B, LEU186B, LEU190B, LEU41B, LEU43B, LEU45A, LEU99B, LYS106A, LYS127A, LYS131A, LYS136B, LYS158A, LYS169A, LYS174B, LYS55B, MET163A, MET166A, MET30B, PHE101A, PHE101B, PHE124B, PHE136A, PHE139A, PHE146B, PHE168A, PHE188A, PHE196B, PHE198A, PHE199A, PHE33A, PHE88B, PHE94B, PRO116A, PRO118A, PRO126B, PRO170B, PRO172B, PRO177B, PRO200A, PRO43A, PRO59B, SER126A, SER127B, SER128A, SER129A, SER132A, SER132B, SER148A, SER151A, SER164B, SER165A, SER170A, SER172A, SER177A, SER182B, SER187B, SER188B, SER193B, SER201A, SER39A, SER47B, SER93A, THR103A, THR105A, THR105B, THR134B, THR137A, THR138B, THR144B, THR156A, THR168B, THR195B, THR197A, THR31A, THR37B, THR50A, THR97A, THR98B, TRP155B, TRP176A, TRP197B, TRP236B, TRP95B, TYR100B, TYR121A, TYR154A, TYR184B, TYR31B, TYR33B, TYR35A, TYR38A, TYR46B, TYR48B, TYR88A, TYR98A, VAL120A, VAL121B, VAL123B, VAL133A, VAL140B, VAL145A, VAL153A, VAL160A, VAL166B, VAL174A, VAL192B, VAL86A, VAL86B
• A-C: ASN63C, ASP1A5, ASP56C, CB9.876924.32054, GLN58C, GLN62C, GLY59C, GLY60C, GLY94A, LEU61C, PRO57C, THR97A, TYR98A
• A-D: ALA52A, ALA99D, ARG106D, ARG96D, ASN108D, ASN92A, ASP102D, ASP1A, CYS105D, GLN48A, GLN4D, GLU110D, GLU2D, GLU92D, GLU95D, GLY28A, GLY94A, HIS107D, ILE93D, LYS5D, LYS7D, PHE1D, PRO30A, PRO91D, SER93A, THR103D, THR26A, THR27A, THR31A, THR50A, THR51A, THR97A, TYR29A, VAL104D
• B-C: ALA50B, ALA65C, ASN26B, ASN28B, ASN29B, ASN63C, ASN70C, ASP19C, ASP56C, ASP93B, ASP97B, GLN58C, GLN62C, GLN69B, GLU54B, GLY49B, GLY51B, GLY56B, GLY59C, GLY60C, GLY96B, HIS69C, ILE64C, LEU37C, LEU61C, LYS40C, LYS55B, LYS68C, MET30B, PHE55C, PHE94B, PRO57C, SER12C, SER47B, SER52B, THR53B, TRP95B, TYR23C, TYR31B, TYR46B, TYR48B, VAL66C, VAL67C, VAL73C
• B-D: ALA11D, ALA6D, ALA8D, ARG96D, ASN26B, ASN28B, ASN29B, ASN9D, ASP93B, ASP97B, GLN69B, GLU92D, GLY92B, GLY96B, HIS27B, LYS10D, LYS5D, LYS7D, PHE37D, PHE94B, THR98B, TRP95B, TYR86D
• C-D: ALA11D, ALA152D, ALA3C, ALA3D, ALA53C, ALA65C, ALA6D, ALA75D, ALA83C, ALA84D, ALA87C, ALA8D, ARG106D, ARG119D, ARG120D, ARG142C, ARG176D, 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, ASP19C, ASP28C, ASP30C, ASP4C, ASP56C, ASP69D, ASP83D, CYS105D, CYS144D, CYS41D, GLN102C, GLN15C, GLN183D, GLN22C, GLN36D, GLN4D, GLN51C, GLN58C, GLN62C, GLU100D, GLU113D, GLU122D, GLU26C, GLU2C, GLU2D, GLU30D, GLU31C, GLU40D, GLU48C, GLU61D, GLU62D, GLU78D, GLU85D, GLU86C, GLY10C, GLY111D, GLY178D, GLY18C, GLY21C, GLY29C, GLY39D, GLY46D, GLY50C, GLY59C, GLY60C, GLY72C, GLY7C, GLY80D, HIS107D, HIS115D, HIS147C, HIS168C, HIS32D, HIS5C, HIS69C, ILE107C, ILE113C, ILE11C, ILE128D, ILE175D, ILE1C, ILE20C, ILE50D, ILE57D, ILE64C, LEU118D, LEU121D, LEU149C, LEU185D, LEU32C, LEU46C, LEU52C, LEU61C, LEU71C, LEU74C, LEU79D, LEU99C, LYS10D, 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, PRO47C, PRO57C, PRO82C, PRO82D, PRO94C, PRO97C, SER117D, SER129D, SER12C, SER145C, SER145D, SER150C, SER16C, 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, VAL184D, VAL34D, VAL35C, VAL53D, VAL64D, VAL66C, VAL67C, VAL6C, VAL73C, VAL76D, VAL98C
• C-H: ALA135H, ALA3C, ARG142C, ARG193H, ARG194H, ASN137H, ASP143C, GLU196H, GLU2C, GLY195H, HIS138H, HIS139H, ILE1C, LEU136H, THR191H
• D-G: ALA135D, ALA3G, ARG142G, ARG193D, ARG194D, ASN137D, ASP143G, GLU196D, GLU2G, GLY195D, HIS138D, HIS139D, ILE1G, LEU136D, THR191D
• D-H: ALA152D, ALA152H, ARG157D, ARG157H, ARG160D, ARG160H, GLN163D, GLN163H, GLN173D, GLN173H, GLN183D, GLN183H, GLU164D, GLU164H, GLU165D, GLU165H, GLU189D, GLU189H, GLU203D, GLU203H, GLY162D, GLY162H, GLY168D, GLY168H, HIS139D, HIS139H, HIS201D, HIS201H, ILE154D, ILE154H, ILE175D, ILE175H, LEU174D, LEU174H, LEU185D, LEU185H, LEU188D, LEU188H, LYS153D, LYS153H, LYS155D, LYS155H, MET187D, MET187H, MET190D, MET190H, PHE149D, PHE149H, PHE159D, PHE159H, PHE182D, PHE182H, SER170D, SER170H, SER171D, SER171H, THR141D, THR166D, THR166H, THR172D, THR172H, THR191D, TRP158D, TRP158H, VAL146D, VAL146H, VAL156D, VAL156H, VAL167D, VAL167H, VAL169D, VAL169H, VAL184D, VAL184H, VAL186D, VAL186H, VAL202D, VAL202H
• E-F: ALA103F, ALA119E, ALA122F, ALA129F, ALA137F, ALA143F, ALA173E, ALA175E, ALA178F, ALA185F, ALA194F, ALA233F, ALA235F, ALA90E, ALA90F, ARG100E, ARG106F, ARG124E, ARG164E, ARG189F, ARG191F, ARG34F, ARG42F, ARG7F, ASN115E, ASN171E, ASN178E, ASN29F, ASN92E, ASP117E, ASP125E, ASP130E, ASP138E, ASP152E, ASP157E, ASP162E, ASP169F, ASP196E, ASP1E, ASP36F, ASP57F, ASP93F, ASP97F, CYS134E, CYS141F, CYS159E, CYS167F, CYS89E, CYS89F, GLN108E, GLN122E, GLN135F, GLN147E, GLN171F, GLN176F, GLN35F, GLN37E, GLN44E, GLN48E, GLN4F, GLN5E, GLN99E, GLU120F, GLU125F, GLU128F, GLU130F, GLU152F, GLU175F, GLU234F, GLU41E, GLU54F, GLY102E, GLY102F, GLY104E, GLY104F, GLY145F, GLY165F, GLY38F, GLY40E, GLY40F, GLY42E, GLY56F, GLY8E, GLY92F, GLY94E, GLY96F, HIS133F, HIS163F, HIS39F, ILE113E, ILE131F, ILE155E, ILE58F, LEU123E, LEU135E, LEU139F, LEU142F, LEU161E, LEU173F, LEU186F, LEU190F, LEU41F, LEU43F, LEU45E, LEU99F, LYS106E, LYS127E, LYS131E, LYS136F, LYS158E, LYS169E, LYS174F, LYS55F, MET163E, MET166E, MET30F, PHE101E, PHE101F, PHE124F, PHE136E, PHE139E, PHE146F, PHE168E, PHE188E, PHE196F, PHE198E, PHE199E, PHE33E, PHE88F, PHE94F, PRO116E, PRO118E, PRO126F, PRO170F, PRO172F, PRO177F, PRO200E, PRO43E, SER126E, SER127F, SER128E, SER129E, SER132E, SER132F, SER148E, SER151E, SER164F, SER165E, SER170E, SER172E, SER177E, SER182F, SER187F, SER188F, SER193F, SER201E, SER39E, SER47F, SER93E, THR103E, THR105E, THR105F, THR134F, THR137E, THR138F, THR144F, THR156E, THR168F, THR195F, THR197E, THR31E, THR37F, THR50E, THR97E, THR98F, TRP155F, TRP176E, TRP197F, TRP236F, TRP95F, TYR100F, TYR121E, TYR154E, TYR184F, TYR31F, TYR33F, TYR35E, TYR38E, TYR46F, TYR48F, TYR88E, TYR98E, VAL120E, VAL121F, VAL123F, VAL133E, VAL140F, VAL145E, VAL153E, VAL160E, VAL166F, VAL174E, VAL192F, VAL86E, VAL86F
• E-G: ARG100E, ASN63G, ASP1E, ASP56G, GLN58G, GLN62G, GLY59G, GLY60G, GLY94E, LEU61G, PHE55G, PRO57G, SER54G, SER93E, THR27E, THR97E, TYR98E
• E-H: ALA3H, ALA52E, ALA99H, ARG106H, ARG96H, ASN108H, ASN92E, ASP102H, ASP1E, GLN48E, GLN4H, GLU110H, GLU2H, GLU92H, GLU95H, GLY28E, GLY94E, HIS107H, LYS5H, LYS7H, PHE1H, PRO30E, SER93E, THR103H, THR26E, THR27E, THR31E, THR50E, THR51E, THR97E, TYR29E, VAL104H
• F-G: ALA50F, ALA65G, ASN26F, ASN28F, ASN29F, ASN63G, ASN70G, ASP19G, ASP56G, ASP93F, GLN58G, GLN62G, GLN69F, GLU54F, GLY49F, GLY51F, GLY56F, GLY59G, GLY60G, GLY96F, HIS69G, ILE64G, LEU37G, LEU61G, LYS39G, LYS40G, LYS55F, LYS68G, MET30F, PHE55G, PHE94F, PRO57G, SER12G, SER47F, SER52F, THR53F, TRP95F, TYR23G, TYR31F, TYR46F, TYR48F, VAL66G, VAL67G, VAL73G
• F-H: ALA11H, ALA6H, ALA8H, ARG96H, ASN26F, ASN28F, ASN29F, ASN9H, ASP93F, ASP97F, GLN69F, GLU92H, GLY92F, GLY96F, HIS27F, LYS10H, LYS5H, LYS7H, PHE37H, PHE94F, THR98F, TRP95F
• G-H: ALA11H, ALA152H, ALA3G, ALA3H, ALA53G, ALA65G, ALA6H, ALA75H, ALA83G, ALA84H, ALA87G, ALA8H, ARG106H, ARG119H, ARG120H, ARG142G, ARG176H, 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, ASP19G, ASP28G, ASP30G, ASP4G, ASP56G, ASP69H, ASP83H, CYS105H, CYS144H, CYS41H, GLN102G, GLN15G, GLN183H, GLN22G, GLN36H, GLN4H, GLN51G, GLN58G, GLN62G, GLU100H, GLU110H, GLU113H, GLU122H, GLU26G, GLU2G, GLU2H, GLU30H, GLU31G, GLU40H, GLU48G, GLU61H, GLU62H, GLU78H, GLU85H, GLU86G, GLY10G, GLY111H, GLY178H, GLY18G, GLY21G, GLY29G, GLY39H, GLY46H, GLY50G, GLY59G, GLY60G, GLY72G, GLY7G, GLY80H, HIS107H, HIS115H, HIS147G, HIS168G, HIS32H, HIS5G, HIS69G, ILE107G, ILE113G, ILE11G, ILE128H, ILE175H, ILE1G, ILE20G, ILE50H, ILE57H, ILE64G, LEU118H, LEU121H, LEU130H, LEU149G, LEU185H, LEU32G, LEU46G, LEU52G, LEU61G, LEU71G, LEU74G, LEU79H, LEU99G, LYS10H, 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, PRO47G, PRO57G, PRO82G, PRO82H, PRO94G, PRO97G, SER117H, SER129H, SER12G, SER145G, SER145H, SER150G, SER16G, 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, VAL184H, VAL34H, VAL35G, VAL53H, VAL64H, VAL66G, VAL67G, VAL6G, VAL73G, VAL76H, VAL98G