3E2H

structure of the m67 high-affinity mutant of the 2c tcr in complex with ld/ql9

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-Q
  • Int. Res.: 88
  • Norm. En. per Res.: -3.707
• 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-Q	-27.21	-4.6114	-294.397	-326.2184	88	22	6	10318	0	6	2
A-B	-7.6025	-2.3332	-98.6258	-108.5615	53	5	3	3933	0	11	10
A-C	-10.1593	-0.8351	-52.7775	-63.772	47	5	1	2783	0	5	6
Q-B	0.0	0.0	-37.9628	-37.9628	22	6	0	1489	0	1	0
Q-C	-10.3232	-5.4854	-45.6661	-61.4746	23	2	0	1307	0	2	1
B-C	-15.4613	13.7131	-192.102	-193.8502	80	15	3	8684	0	9	11

Interface residues

• A-Q: ALA117A, ALA139A, ALA140A, ALA150A, ALA152A, ALA153A, ALA158A, ALA67A, ARG144A, ARG157A, ARG170A, ARG62A, ARG79A, ARG97A, ASN77A, ASP8Q, CYS101A, CYS164A, GLN149A, GLN1Q, GLN65A, GLN70A, GLN72A, GLN96A, GLU114A, GLU148A, GLU154A, GLU163A, GLU166A, GLU55A, GLU71A, GLU9A, GLY100A, GLY151A, GLY26A, GLY69A, HIS169A, ILE124A, ILE142A, ILE63A, LEU160A, LEU168A, LEU2Q, LEU78A, LEU81A, LEU82A, LEU95A, LEU9Q, LYS146A, LYS68A, MET52A, MET5A, MET98A, PHE116A, PHE33A, PHE36A, PHE5Q, PHE74A, PHE7Q, PRO4Q, PRO6Q, SER24A, SER3Q, THR143A, THR64A, THR80A, TRP133A, TRP147A, TRP167A, TRP73A, TYR113A, TYR118A, TYR123A, TYR155A, TYR156A, TYR159A, TYR171A, TYR22A, TYR45A, TYR59A, TYR7A, TYR84A, TYR85A, TYR99A, VAL165A, VAL34A, VAL66A, VAL76A
• A-B: ALA150A, ALA152A, ALA153A, ALA158A, ALA28B, ALA67A, ARG101B, ARG131A, ARG157A, ARG170A, ARG62A, ARG97A, ASP53B, CYS164A, GLN149A, GLN65A, GLN70A, GLN72A, GLU100B, GLU154A, GLU161A, GLU163A, GLU166A, GLY151A, GLY162A, GLY52B, GLY69A, LEU130A, LEU160A, LEU99B, LYS48B, LYS68A, LYS68B, PHE33B, PRO102B, PRO30B, SER27B, SER51B, SER93B, THR29B, TRP147A, TRP167A, TRP73A, TYR103B, TYR155A, TYR156A, TYR159A, TYR26B, TYR31B, TYR49B, TYR50B, TYR99A, VAL66A
• A-C: ALA150A, ALA152A, ALA52C, ARG69C, ARG75A, ARG79A, ASN27C, ASN28C, ASN30C, ASN31C, ASN77A, GLN149A, GLN65A, GLN70A, GLN72A, GLN72C, GLU19A, GLU56C, GLU71A, GLY151A, GLY51C, GLY53C, GLY69A, GLY96C, GLY97C, GLY98C, HIS29C, ILE142A, LYS146A, LYS68A, PHE74A, PRO70C, SER49C, SER54C, SER71C, THR105C, THR55C, THR80A, TRP147A, TRP73A, TYR107C, TYR155A, TYR48C, TYR50C, TYR84A, VAL66A, VAL76A
• Q-B: ALA28B, ARG101B, ASP8Q, GLN1Q, GLU100B, LEU2Q, LEU99B, LYS48B, PHE33B, PHE5Q, PHE7Q, PRO102B, PRO30B, PRO4Q, PRO6Q, SER27B, SER3Q, SER93B, THR29B, TYR103B, TYR31B, TYR50B
• Q-C: ASN27C, ASN28C, ASN30C, ASN31C, ASP8Q, GLN25C, GLN72C, GLU56C, GLY51C, GLY95C, GLY96C, GLY97C, GLY98C, HIS29C, LEU9Q, PHE5Q, PHE7Q, PRO4Q, PRO6Q, THR105C, TYR33C, TYR48C, TYR50C
• B-C: ALA110C, ALA2C, ALA8B, ALA91B, ALA93C, ARG101B, ARG113C, ARG36C, ARG40B, ARG44C, ARG9C, ASN10C, ASN31C, ASP59C, CYS90B, CYS92C, GLN37B, GLN37C, GLN41B, GLN44B, GLN5B, GLN6C, GLU100B, GLU42C, GLU56C, GLY107B, GLY109B, GLY109C, GLY111C, GLY40C, GLY42B, GLY58C, GLY95C, GLY96C, GLY97C, GLY98C, HIS41C, ILE46C, ILE60C, LEU104B, LEU106C, LEU43C, LEU45B, LEU45C, LEU47B, LYS111B, LYS48B, LYS57C, MET32C, PHE106B, PHE108C, PHE33B, PHE89B, PHE91C, PRO102B, PRO39B, PRO43B, PRO61C, SER108B, SER93B, SER94C, THR105B, THR105C, THR110B, THR39C, TYR103B, TYR107C, TYR31B, TYR33C, TYR35B, TYR35C, TYR38B, TYR47C, TYR48C, TYR50B, TYR50C, VAL3B, VAL87B, VAL89C, VAL92B