2IAL

structural basis for recognition of mutant self by a tumor- specific, mhc class ii-restricted tcr

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 44
  • Norm. En. per Res.: -2.138
• 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	-119.5933	-19.7761	44.9686	-94.4008	219	29	16	24075	6	38	27
A-C	-8.3397	5.3628	-29.874	-32.8509	43	4	0	2163	0	1	5
A-D	0.0	26.2585	-28.5605	-2.302	43	9	0	1741	0	11	13
B-C	0.0	-12.5159	-39.2455	-51.7614	27	1	0	1352	0	5	6
B-D	-11.0516	-24.6245	-58.3952	-94.0712	44	2	1	2228	2	11	11
C-D	-77.9496	-18.8753	-134.402	-231.2269	219	27	18	24326	6	40	32

Interface residues

• A-B: ALA116A, ALA122B, ALA129B, ALA137B, ALA143B, ALA170A, ALA172A, ALA185B, ALA194B, ALA233B, ALA235B, ALA87A, ALA88A, ALA92B, ALA93A, ARG103A, ARG121A, ARG161A, ARG183B, ARG189B, ARG191B, ARG205B, ARG238B, ASN168A, ASN30A, ASN37A, ASN44A, ASP114A, ASP122A, ASP127A, ASP135A, ASP147A, ASP149A, ASP154A, ASP159A, ASP164A, ASP169B, ASP193A, ASP38B, ASP56B, CYS131A, CYS141B, CYS156A, CYS167B, CYS86A, CYS91B, GLN100A, GLN119A, GLN135B, GLN144A, GLN171B, GLN176B, GLN2A, GLN32A, GLN36A, GLN37B, GLN41A, GLN5A, GLN6B, GLN94A, GLU103B, GLU120B, GLU125B, GLU128B, GLU130B, GLU152B, GLU175B, GLU234B, GLU59B, GLY101A, GLY102B, GLY104B, GLY145B, GLY165B, GLY40A, GLY40B, GLY42B, GLY58B, GLY92A, GLY97B, GLY99A, GLY99B, HIS133B, HIS163B, HIS203B, HIS35A, HIS96B, ILE110A, ILE131B, ILE152A, ILE1A, ILE43A, ILE46B, ILE48A, ILE90A, LEU120A, LEU132A, LEU139B, LEU142B, LEU153B, LEU158A, LEU173B, LEU186B, LEU190B, LEU31A, LEU42A, LEU43B, LEU45A, LEU45B, LEU89A, LEU96A, LYS124A, LYS128A, LYS136B, LYS155A, LYS166A, LYS174B, LYS44B, LYS53A, LYS57B, LYS95A, LYS9B, MET160A, MET163A, MET32B, MET41B, PHE101B, PHE124B, PHE133A, PHE136A, PHE165A, PHE185A, PHE195A, PHE196A, PHE196B, PHE204B, PHE34A, PHE46A, PHE85A, PHE90B, PHE98A, PRO113A, PRO115A, PRO126B, PRO170B, PRO172B, PRO177B, PRO197A, PRO38A, PRO39B, PRO49A, PRO61B, SER123A, SER127B, SER129A, SER132B, SER145A, SER148A, SER162A, SER164B, SER167A, SER169A, SER174A, SER182B, SER187B, SER188B, SER193B, SER198A, SER232B, SER49B, SER93B, THR134A, THR134B, THR138B, THR144B, THR153A, THR168B, THR194A, THR195B, THR94B, THR98B, TRP106B, TRP155B, TRP173A, TRP197B, TRP236B, TRP33A, TRP39A, TYR100B, TYR118A, TYR151A, TYR184B, TYR31B, TYR33B, TYR35B, TYR47A, TYR47B, TYR48B, TYR95B, VAL117A, VAL121B, VAL123B, VAL130A, VAL140B, VAL142A, VAL150A, VAL151B, VAL157A, VAL162B, VAL166B, VAL171A, VAL192B, VAL3A, VAL4B, VAL50B, VAL60B, VAL83A, VAL88B, VAL97A
• A-C: ALA60A, ARG161C, ARG57A, ARG57C, ASN37C, ASN44A, ASN44C, ASN55A, ASN55C, ASP80C, GLN41A, GLN41C, GLN54A, GLN54C, GLN77C, GLY51A, GLY56A, GLY56C, HIS35C, ILE43A, ILE43C, ILE48A, LEU42C, LEU45A, LEU45C, LEU58A, LEU58C, LYS53A, PHE46A, PHE46C, PRO38C, PRO49A, SER162C, SER50A, SER59A, SER74A, THR52A, THR61A, THR62A, THR79C, TRP39C, TYR47A, TYR72A
• A-D: ALA16A, ALA2D, ARG161A, ARG205D, ARG57A, ASN158D, ASN17A, ASN37A, ASN55A, ASP159A, ASP164A, ASP26D, GLN207D, GLN209D, GLN77A, GLU103D, GLU161D, GLU234D, GLY159D, GLY15A, GLY3D, HIS163D, HIS203D, ILE230D, ILE43A, LYS160D, LYS166A, MET163A, PHE204D, PRO38A, SER162A, SER164D, SER18A, SER232D, SER74A, SER75A, THR5D, THR79A, TRP155D, TRP156D, TRP39A, VAL157D, VAL4D
• B-C: ALA2B, ARG161C, ASN112C, ASN28B, ASP159C, ASP164C, ASP26B, GLN77C, GLY3B, GLY99B, HIS29B, HIS96B, LYS124C, LYS160B, LYS166C, MET160C, MET163C, MET27B, PHE101B, PHE165C, SER162C, SER93B, THR5B, THR98B, TYR100B, TYR95B, VAL4B
• B-D: ALA194D, ALA2B, ARG201D, ARG205D, ASN158D, ASN202D, ASP26B, GLN135D, GLN207B, GLN209B, GLU103B, GLU152B, GLU161B, GLU234D, GLY159B, GLY159D, GLY165B, GLY3B, HIS163B, HIS203D, ILE230B, LEU153B, LYS136D, LYS160B, LYS160D, MET27B, PHE196D, PHE204D, PRO200D, SER154B, SER164B, SER193D, THR195D, THR5B, TRP155B, TRP156B, TRP156D, TRP236D, TYR211B, VAL157B, VAL157D, VAL162B, VAL166B, VAL192D
• C-D: ALA116C, ALA122D, ALA129D, ALA137D, ALA143D, ALA170C, ALA172C, ALA178D, ALA185D, ALA194D, ALA233D, ALA235D, ALA87C, ALA88C, ALA92D, ALA93C, ARG103C, ARG121C, ARG161C, ARG183D, ARG189D, ARG191D, ARG238D, ARG36D, ASN112C, ASN168C, ASN30C, ASN30D, ASN37C, ASN44C, ASP114C, ASP122C, ASP135C, ASP147C, ASP149C, ASP154C, ASP159C, ASP164C, ASP169D, ASP193C, ASP38D, ASP56D, ASP9C, CYS131C, CYS141D, CYS156C, CYS167D, CYS86C, CYS91D, GLN100C, GLN119C, GLN135D, GLN144C, GLN171D, GLN176D, GLN2C, GLN32C, GLN36C, GLN37D, GLN41C, GLN5C, GLN6D, GLN94C, GLU103D, GLU120D, GLU125D, GLU128D, GLU130D, GLU152D, GLU175D, GLU234D, GLU59D, GLY101C, GLY102D, GLY104D, GLY145D, GLY165D, GLY40C, GLY40D, GLY42D, GLY58D, GLY92C, GLY97D, GLY99C, GLY99D, HIS133D, HIS163D, HIS203D, HIS35C, HIS96D, ILE131D, ILE152C, ILE1C, ILE43C, ILE46D, ILE48C, ILE90C, LEU120C, LEU132C, LEU139D, LEU142D, LEU158C, LEU173D, LEU186D, LEU190D, LEU31C, LEU42C, LEU43D, LEU45C, LEU45D, LEU89C, LEU96C, LYS124C, LYS128C, LYS136D, LYS155C, LYS166C, LYS174D, LYS44D, LYS53C, LYS57D, LYS95C, LYS9D, MET160C, MET163C, MET32D, MET41D, PHE101D, PHE124D, PHE133C, PHE136C, PHE165C, PHE185C, PHE195C, PHE196C, PHE196D, PHE204D, PHE34C, PHE46C, PHE85C, PHE90D, PHE98C, PRO113C, PRO115C, PRO126D, PRO170D, PRO172D, PRO177D, PRO197C, PRO38C, PRO39D, PRO49C, PRO61D, PRO8C, SER123C, SER127D, SER129C, SER132D, SER145C, SER148C, SER162C, SER164D, SER167C, SER169C, SER174C, SER182D, SER187D, SER188D, SER193D, SER198C, SER232D, SER49D, SER93D, THR134C, THR134D, THR138D, THR144D, THR153C, THR168D, THR194C, THR195D, THR94D, THR98D, TRP106D, TRP155D, TRP173C, TRP197D, TRP236D, TRP33C, TRP39C, TYR100D, TYR118C, TYR151C, TYR184D, TYR31D, TYR33D, TYR35D, TYR47C, TYR47D, TYR48D, TYR95D, VAL117C, VAL121D, VAL123D, VAL130C, VAL140D, VAL142C, VAL150C, VAL157C, VAL166D, VAL171C, VAL192D, VAL3C, VAL4D, VAL50D, VAL60D, VAL83C, VAL88D, VAL97C