3F78

crystal structure of wild type lfa1 i domain complexed with isoflurane

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 63
  • Norm. En. per Res.: -3.1551
• 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	-57.8929	9.7499	-150.63	-198.773	63	9	4	6224	0	26	25
A-C	-3.174	2.4737	-8.0487	-8.749	12	0	0	494	1	12	12
B-C	0.0	2.8175	-7.0834	-4.2659	30	0	0	760	0	19	24

Interface residues

• A-B: ALA230A, ALA230B, ALA278A, ALA278B, ALA282A, ALA282B, ARG256A, ARG256B, ASN129A, ASN129B, ASP229A, ASP229B, ASP253A, ASP253B, GLU272A, GLU272B, GLU284A, GLU284B, GLU301A, GLU301B, GLY128A, GLY128B, HIS275A, HIS275B, ILE255A, ILE255B, ILE306A, ILE306B, LYS232A, LYS232B, LYS252A, LYS252B, LYS268A, LYS268B, LYS280A, LYS280B, LYS287A, LYS287B, LYS304A, LYS304B, LYS305A, LYS305B, PHE285A, PHE285B, PRO281A, PRO281B, SER279A, SER279B, SER283A, SER283B, THR231A, THR231B, TYR166B, TYR257A, TYR257B, TYR307A, TYR307B, VAL130A, VAL130B, VAL233A, VAL233B, VAL286A, VAL286B
• A-C: ASP145C, ASP297A, GLN143C, GLU146C, GLU293C, GLU301A, LYS149C, LYS304A, PHE292C, PRO144C, THR291C, THR300A
• B-C: ASP290B, ASP290C, ASP297B, ASP297C, GLN266B, GLN266C, GLN271B, GLN271C, GLU301B, GLU301C, ILE288B, ILE288C, LEU289B, LEU289C, LEU298B, LYS263B, LYS263C, LYS268B, LYS268C, LYS287C, LYS294B, LYS294C, LYS296C, LYS304B, PHE265B, PHE265C, THR267B, THR267C, THR291B, THR300B