1MQ8

crystal structure of alphal i domain in complex with icam-1

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 71
  • Norm. En. per Res.: -2.2557
• Hub Node: A(2)

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	-4.9032	13.1635	-168.412	-160.1516	71	10	1	6422	1	17	14
A-C	-46.6652	0.0	-104.782	-151.4472	72	14	7	5440	2	8	9
C-D	-4.7482	13.5869	-162.324	-153.4853	70	10	1	6397	1	17	14

Interface residues

• A-B: ALA242B, ALA76A, ASN207B, ASN56A, ASN68A, ASP137B, ASP145B, ASP239B, ASP244B, CYS65A, GLN143B, GLN266B, GLN271B, GLN62A, GLN73A, GLU146B, GLU241B, GLU269B, GLU34A, GLU41A, GLU59A, GLY138B, GLY240B, GLY246B, GLY262B, GLY32A, HIS264B, ILE33A, LEU142B, LEU203B, LEU204B, LEU205B, LEU30A, LEU31A, LEU37A, LEU54A, LYS263B, LYS29A, LYS39A, LYS40A, LYS77A, MET140B, MET202B, MET64A, PHE209B, PHE265B, PHE79A, PRO144B, PRO36A, PRO38A, PRO63A, SER139B, SER141B, SER174B, SER176B, SER245B, SER270B, SER61A, SER67A, SER74A, THR175B, THR206B, THR208B, THR243B, THR2A, THR35A, THR75A, THR78A, TYR177B, TYR52A, TYR66A
• A-C: ARG166A, ARG166C, ARG49A, ARG49C, GLN168A, GLN168C, GLU171A, GLU171C, GLU41A, GLU41C, GLU53A, GLU53C, GLY14A, GLY14C, GLY15A, GLY15C, GLY169A, GLY169C, ILE10A, ILE10C, LEU11A, LEU11C, LEU165A, LEU165C, LEU170A, LEU170C, LEU18A, LEU18C, LEU42A, LEU42C, LEU43A, LEU43C, LEU44A, LEU44C, LYS40A, LYS40C, LYS50A, LYS50C, LYS8A, LYS8C, PHE173C, PHE79A, PHE79C, PRO12A, PRO12C, PRO167A, PRO167C, PRO45A, PRO45C, PRO6A, PRO6C, SER16A, SER16C, SER55A, SER55C, SER5A, SER5C, SER7A, SER7C, THR20A, THR20C, TYR52A, TYR52C, TYR83C, VAL17A, VAL17C, VAL19A, VAL19C, VAL51A, VAL51C, VAL9A, VAL9C
• C-D: ALA242D, ALA76C, ASN207D, ASN56C, ASN68C, ASP137D, ASP145D, ASP239D, ASP244D, CYS65C, GLN143D, GLN266D, GLN271D, GLN62C, GLN73C, GLU146D, GLU241D, GLU269D, GLU34C, GLU41C, GLU59C, GLY138D, GLY240D, GLY246D, GLY262D, GLY32C, HIS264D, ILE33C, LEU142D, LEU203D, LEU204D, LEU205D, LEU30C, LEU31C, LEU37C, LEU54C, LYS263D, LYS29C, LYS39C, LYS40C, LYS77C, MET140D, MET202D, MET64C, PHE209D, PHE265D, PHE79C, PRO144D, PRO36C, PRO38C, PRO63C, SER139D, SER141D, SER174D, SER176D, SER245D, SER270D, SER61C, SER67C, SER74C, THR175D, THR206D, THR208D, THR243D, THR2C, THR35C, THR75C, THR78C, TYR52C, TYR66C