1NCB

crystal structures of two mutant neuraminidase-antibody complexes with amino acid substitutions in the interface

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: N-H
  • Int. Res.: 59
  • Norm. En. per Res.: -3.1775
• Hub Node: N(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
N-L	-11.9962	-4.0811	-104.224	-120.3014	54	2	1	4560	0	11	8
N-H	-24.0684	-10.4864	-152.916	-187.4708	59	9	1	5682	0	14	16
L-H	-29.4737	-28.1605	353.775	296.1408	193	19	10	19128	2	20	14

Interface residues

• N-L: ALA32L, ALA369N, ALA51L, ARG327N, ARG371N, ARG430N, ARG54L, ASN325N, ASN344N, ASN345N, ASN346N, ASN347N, ASP1L, ASP329N, ASP330N, ASP434N, GLN27L, GLN90L, GLU433N, GLY343N, GLY429N, GLY57L, GLY66L, HIS55L, HIS91L, ILE149N, ILE2L, ILE368N, ILE56L, LEU322N, LEU46L, LYS432N, LYS435N, PRO326N, PRO328N, PRO331N, PRO342N, PRO431N, PRO94L, PRO95L, SER298N, SER30L, SER370N, SER52L, SER65L, SER93L, THR31L, THR53L, TRP403N, TRP50L, TRP96L, TYR49L, TYR92L, VAL34L
• N-H: ALA369N, ARG327N, ARG371N, ARG428N, ARG94H, ASN31H, ASN325N, ASN400N, ASN52H, ASN53H, ASN98H, ASP101H, ASP329N, ASP402N, ASP434N, ASP457N, ASP97H, GLU375N, GLU433N, GLU465N, GLU56H, GLU61H, GLU96H, GLY100H, GLY33H, GLY373N, GLY55H, GLY95H, ILE366N, ILE368N, ILE464N, ILE51H, LEU100H, LEU399N, LYS432N, LYS435N, LYS463N, LYS64H, MET34H, PHE29H, PHE99H, PRO326N, PRO459N, SER100H, SER367N, SER370N, SER372N, SER404N, THR30H, THR396N, THR401N, THR52H, THR54H, THR58H, TRP403N, TRP50H, TYR32H, TYR374N, VAL398N
• L-H: ALA112L, ALA125H, ALA130L, ALA176H, ALA32L, ALA40H, ALA51L, ALA93H, ARG211L, ARG226H, ARG94H, ASN137L, ASN138L, ASN157L, ASN161L, ASN210L, ASN212L, ASN35H, ASN98H, ASP101H, ASP130H, ASP165L, ASP167L, ASP170L, ASP1L, ASP97H, CYS128H, CYS134L, CYS142H, CYS214L, CYS88L, CYS92H, GLN105H, GLN124L, GLN179H, GLN1H, GLN37L, GLN38L, GLN39H, GLN42L, GLN6H, GLN89L, GLN90L, GLU123L, GLU213L, GLU224H, GLU46H, GLU61H, GLU62H, GLU96H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY129H, GLY129L, GLY135H, GLY141H, GLY146H, GLY158L, GLY169H, GLY227H, GLY41L, GLY42H, GLY44H, GLY49H, GLY60H, GLY95H, GLY99L, HIS172H, HIS55L, HIS91L, ILE117L, ILE223H, ILE2H, ILE48L, ILE56L, LEU100H, LEU124H, LEU125L, LEU136L, LEU140H, LEU143H, LEU160L, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU45H, LEU46L, LEU47L, LEU4H, LEU85L, LYS145H, LYS169L, LYS207L, LYS221H, LYS38H, LYS43H, LYS45L, LYS9L, MET175L, MET48H, PHE118L, PHE135L, PHE139L, PHE174H, PHE209L, PHE91H, PHE98L, PHE99H, PRO113L, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO41H, PRO44L, PRO94L, PRO95L, SER100H, SER116L, SER120H, SER121L, SER122L, SER127L, SER131L, SER137H, SER162L, SER167H, SER168H, SER174L, SER176L, SER177L, SER188H, SER189H, SER190H, SER208L, SER43L, SER93L, THR114L, THR126L, THR133H, THR134H, THR139H, THR164L, THR172L, THR173H, THR178L, THR180L, THR186H, THR192H, THR53L, THR58H, THR89H, THR97L, TRP103H, TRP157H, TRP163L, TRP35L, TRP36H, TRP47H, TRP50H, TRP50L, TRP96L, TYR102H, TYR122H, TYR173L, TYR185H, TYR186L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR92L, VAL115L, VAL121H, VAL127H, VAL132L, VAL133L, VAL138H, VAL144H, VAL159L, VAL171H, VAL177H, VAL191H, VAL33L, VAL34L, VAL37H