1OAK

crystal structure of the von willebrand factor (vwf) a1 domain in complex with the function blocking nmc-4 fab

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-A
  • Int. Res.: 56
  • Norm. En. per Res.: -5.2462
• Hub Node: L(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
L-H	-46.2557	-34.7629	-476.553	-557.5716	187	23	11	19193	2	19	14
L-A	-15.7102	-36.9969	-33.2851	-85.9923	19	1	0	1155	3	4	5
H-A	-41.9625	-44.4923	-207.334	-293.7888	56	10	3	6315	2	22	3

Interface residues

• L-H: ALA130L, ALA276H, ALA314H, ALA322H, ALA348H, ALA391H, ALA43L, ARG211L, ARG252H, ARG306H, ARG311H, ARG436H, ASN137L, ASN138L, ASN161L, ASN210L, ASN212L, ASN274H, ASN30L, ASN318H, ASN34L, ASN356H, ASP165L, ASP167L, ASP170L, ASP1L, ASP249H, ASP272H, ASP312H, ASP320H, ASP324H, ASP41L, ASP437H, CYS134L, CYS363H, CYS88L, GLN124L, GLN215H, GLN253H, GLN328H, GLN37L, GLN38L, GLN394H, GLN89L, GLN90L, GLU123L, GLU260H, GLU92L, GLY100L, GLY101L, GLY129L, GLY158L, GLY256H, GLY258H, GLY263H, GLY327H, GLY329H, GLY350H, GLY362H, GLY385H, GLY42L, GLY57L, GLY99L, HIS387H, HIS55L, ILE117L, ILE29L, ILE433H, ILE48L, LEU125L, LEU136L, LEU160L, LEU179L, LEU181L, LEU259H, LEU262H, LEU277H, LEU323H, LEU33L, LEU347H, LEU361H, LEU364H, LEU393H, LEU397H, LEU400H, LEU46L, LEU47L, LEU94L, LYS103L, LYS169L, LYS207L, LYS257H, LYS31L, LYS366H, LYS431H, LYS432H, LYS45L, LYS93L, MET175L, MET264H, MET358H, PHE118L, PHE135L, PHE139L, PHE209L, PHE389H, PHE49L, PHE98L, PRO119L, PRO120L, PRO313H, PRO346H, PRO349H, PRO390H, PRO95L, SER116L, SER121L, SER122L, SER127L, SER131L, SER162L, SER168L, SER174L, SER176L, SER177L, SER208L, SER275H, SER343H, SER384H, SER395H, SER401H, SER402H, SER403H, SER56L, THR114L, THR126L, THR164L, THR172L, THR178L, THR180L, THR271H, THR360H, THR388H, THR399H, THR405H, THR85L, THR97L, TRP163L, TRP250H, TRP261H, TRP266H, TRP326H, TRP35L, TRP377H, TRP411H, TRP96L, TYR173L, TYR186L, TYR273H, TYR308H, TYR319H, TYR321H, TYR325H, TYR32L, TYR345H, TYR36L, TYR398H, TYR50L, TYR86L, TYR87L, TYR91L, VAL115L, VAL132L, VAL133L, VAL159L, VAL216H, VAL251H, VAL310H, VAL344H, VAL359H, VAL365H, VAL386H, VAL392H, VAL404H, VAL434H, VAL44L, VAL58L
• L-A: ARG629A, ARG632A, ARG636A, ASN30L, ASN633A, ASP28L, GLN27L, GLN639A, GLN90L, GLU92L, ILE29L, LEU94L, LYS643A, LYS93L, PRO95L, TRP96L, TYR32L, TYR91L, VAL635A
• H-A: ALA314H, ALA322H, ARG629A, ARG632A, ARG636A, ARG663A, ASN318H, ASN633A, ASN658A, ASP245H, ASP249H, ASP268H, ASP272H, ASP312H, ASP315H, ASP320H, GLN625A, GLN628A, GLN639A, GLN661A, GLN668A, GLU626A, GLY247H, GLY263H, GLY267H, GLY269H, GLY317H, ILE265H, ILE662A, ILE665A, LEU323H, LEU659A, LEU664A, LYS285H, LYS660A, MET264H, MET630A, PHE634A, PRO313H, PRO627A, SER270H, SER595A, SER631A, THR244H, THR271H, THR594A, TRP261H, TRP266H, TYR246H, TYR273H, TYR316H, TYR319H, TYR321H, TYR637A, VAL635A, VAL638A