1QLR

crystal structure of the fab fragment of a human monoclonal igm cold agglutinin

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 29
  • Norm. En. per Res.: -2.6478
• 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	-3.1629	-22.3676	420.605	395.0745	176	15	10	16698	2	14	7
A-C	-14.2357	-37.4087	-25.141	-76.7854	29	1	0	1511	7	19	28
C-D	-5.6711	-23.8236	336.936	307.4412	179	14	12	17381	2	14	7

Interface residues

• A-B: ALA130A, ALA145B, ALA186B, ALA187B, ALA34A, ALA43A, ALA55A, ALA96B, ARG174B, ARG181B, ARG211A, ARG38B, ARG45A, ARG97B, ASN108B, ASN137A, ASN138A, ASN158A, ASN210A, ASN220B, ASN58B, ASN60B, ASP122A, ASP152B, ASP167A, ASP170A, ASP50A, CYS134A, CYS134B, CYS148B, CYS214A, CYS88A, CYS95B, GLN112B, GLN124A, GLN151B, GLN160A, GLN190B, GLN37A, GLN38A, GLN39B, GLN42A, GLN6A, GLN6B, GLN89A, GLN90A, GLU123A, GLU161A, GLU165A, GLU1A, GLU1B, GLU213A, GLU46B, GLU50B, GLY100A, GLY101A, GLY104B, GLY111B, GLY113B, GLY147B, GLY175B, GLY182B, GLY212A, GLY41A, GLY42B, GLY44B, GLY49B, GLY92A, GLY99A, HIS100B, HIS105B, ILE117A, ILE37B, ILE48A, ILE48B, LEU125A, LEU128B, LEU131B, LEU135A, LEU136A, LEU149B, LEU175A, LEU179A, LEU180B, LEU181A, LEU192B, LEU33A, LEU45B, LEU46A, LEU47A, LEU96A, LYS126A, LYS169A, LYS207A, LYS219B, LYS43B, PHE116A, PHE118A, PHE129B, PHE139A, PHE176B, PHE209A, PHE98A, PRO119A, PRO120A, PRO130B, PRO177B, PRO224B, PRO40B, PRO44A, PRO61B, PRO95A, PRO98B, PRO99B, SER103B, SER114A, SER121A, SER127A, SER131A, SER133B, SER159A, SER162A, SER171B, SER172B, SER174A, SER176A, SER177A, SER178B, SER189B, SER208A, SER35B, SER53A, SER62B, SER94A, THR102B, THR127B, THR129A, THR164A, THR172A, THR173B, THR178A, THR180A, THR188B, THR56A, THR97A, TRP107B, TRP110B, TRP35A, TRP36B, TRP47B, TYR106B, TYR109B, TYR173A, TYR186A, TYR32A, TYR33B, TYR36A, TYR49A, TYR59B, TYR86A, TYR87A, TYR91A, TYR94B, VAL115A, VAL132A, VAL132B, VAL133A, VAL144B, VAL146B, VAL163A, VAL179B, VAL191B, VAL221B, VAL225B, VAL85A, VAL92B
• A-C: ALA184A, ALA184C, ARG211A, ARG211C, ASN210A, ASN210C, ASP122A, ASP122C, CYS214A, CYS214C, GLU123A, GLU187A, GLU187C, GLU213A, GLU213C, GLY128A, GLY212A, GLY212C, LEU125A, LEU125C, LYS126A, LYS126C, LYS183A, LYS183C, LYS188A, LYS188C, LYS190A, LYS190C, SER127A
• C-D: ALA130C, ALA145D, ALA186D, ALA187D, ALA34C, ALA43C, ALA55C, ALA96D, ARG174D, ARG181D, ARG211C, ARG38D, ARG45C, ARG97D, ASN108D, ASN137C, ASN138C, ASN158C, ASN210C, ASN220D, ASN58D, ASN60D, ASP122C, ASP152D, ASP167C, ASP170C, ASP50C, CYS134C, CYS134D, CYS148D, CYS214C, CYS88C, CYS95D, GLN112D, GLN124C, GLN151D, GLN160C, GLN190D, GLN37C, GLN38C, GLN39D, GLN42C, GLN6C, GLN6D, GLN89C, GLN90C, GLU123C, GLU161C, GLU165C, GLU1C, GLU213C, GLU46D, GLU50D, GLY100C, GLY101C, GLY104D, GLY111D, GLY113D, GLY147D, GLY175D, GLY182D, GLY212C, GLY41C, GLY42D, GLY44D, GLY49D, GLY92C, GLY99C, HIS100D, HIS105D, ILE117C, ILE37D, ILE48C, ILE48D, LEU125C, LEU128D, LEU131D, LEU135C, LEU136C, LEU149D, LEU175C, LEU179C, LEU180D, LEU181C, LEU192D, LEU193D, LEU33C, LEU45D, LEU46C, LEU47C, LEU96C, LYS126C, LYS169C, LYS184D, LYS207C, LYS219D, LYS39C, LYS43D, PHE116C, PHE118C, PHE129D, PHE139C, PHE176D, PHE209C, PHE98C, PRO119C, PRO120C, PRO130D, PRO177D, PRO222D, PRO224D, PRO40C, PRO44C, PRO61D, PRO95C, PRO98D, PRO99D, SER103D, SER114C, SER121C, SER127C, SER131C, SER133D, SER159C, SER162C, SER171D, SER172D, SER174C, SER176C, SER177C, SER178D, SER189D, SER208C, SER35D, SER53C, SER62D, SER94C, THR102D, THR127D, THR129C, THR164C, THR172C, THR173D, THR178C, THR180C, THR188D, THR56C, THR97C, TRP107D, TRP110D, TRP35C, TRP36D, TRP47D, TYR106D, TYR109D, TYR173C, TYR185D, TYR186C, TYR32C, TYR33D, TYR36C, TYR49C, TYR59D, TYR86C, TYR87C, TYR91C, TYR94D, VAL115C, VAL132C, VAL132D, VAL133C, VAL144D, VAL146D, VAL163C, VAL179D, VAL191D, VAL221D, VAL85C, VAL92D