3RBG

crystal structure analysis of class-i mhc restricted t-cell associated molecule

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 42
  • Norm. En. per Res.: -4.0144
• 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	-55.1633	-21.8872	-91.5558	-168.6063	42	3	0	3693	1	9	12
A-C	-22.9698	-6.5517	-177.019	-206.5405	69	6	9	7625	0	4	7
A-D	-45.316	-20.0282	-83.6878	-149.032	45	3	1	3594	0	9	12

Interface residues

• A-B: ALA116A, ALA78B, ASN21A, ASN61B, ASN79B, GLN72B, GLN80B, GLU24A, GLU29A, GLU62B, HIS22A, HIS75B, HIS76B, ILE113A, ILE26A, ILE83B, LEU115A, LEU19A, LEU42B, LEU48B, LEU73B, LEU74B, LEU81B, LYS111A, LYS37A, PHE59B, PRO64B, PRO86B, SER77B, SER82B, THR117A, THR20A, THR23A, THR25A, THR27A, THR40B, THR84B, TYR63B, TYR71B, VAL110A, VAL28A, VAL39B
• A-C: ARG43A, ARG43C, ASN45A, ASN45C, ASN61A, ASN61C, ASN68A, ASN68C, ASP103A, ASP103C, GLN49A, GLN49C, GLY55A, GLY55C, HIS100A, HIS100C, ILE58A, ILE58C, LEU48A, LEU48C, LEU51A, LEU51C, LEU60A, LEU60C, LEU66A, LEU66C, LEU99A, LEU99C, LYS44A, LYS44C, LYS67A, LYS67C, LYS97A, LYS97C, PHE56A, PHE56C, PHE59A, PHE59C, PRO64A, PRO64C, SER102A, SER102C, SER104A, SER104C, SER106A, SER106C, SER46A, SER46C, SER47A, SER47C, SER54A, SER54C, SER69A, SER69C, THR107A, THR107C, THR52A, THR52C, THR57A, THR57C, TRP50C, TYR101A, TYR101C, TYR63A, TYR63C, VAL105A, VAL105C, VAL65A, VAL65C
• A-D: ALA116D, ALA78A, ASN21D, ASN61A, ASN79A, GLN72A, GLN80A, GLU109D, GLU24D, GLU29D, GLU62A, HIS22D, HIS75A, HIS76A, ILE113D, ILE26D, ILE83A, LEU115D, LEU19A, LEU19D, LEU42A, LEU48A, LEU73A, LEU74A, LEU81A, LYS111D, LYS37D, LYS44A, PHE59A, PRO64A, PRO86A, SER18D, SER77A, SER82A, THR117D, THR20D, THR23D, THR25D, THR27D, THR84A, TYR63A, TYR71A, VAL110D, VAL28D, VAL39A