2DD8

crystal structure of sars-cov spike receptor-binding domain complexed with neutralizing antibody

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-S
  • Int. Res.: 61
  • Norm. En. per Res.: -2.5761
• Hub Node: H(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
H-L	-37.3959	-54.5524	306.637	214.6887	186	26	10	16965	5	22	20
H-S	-2.2845	0.0	-154.859	-157.1435	61	10	1	5923	0	2	1
L-S	-3.0455	-26.1401	-67.9843	-97.17	50	1	0	3101	3	6	5

Interface residues

• H-L: ALA125H, ALA128L, ALA131L, ALA137H, ALA168H, ALA175L, ALA176L, ALA209L, ALA40H, ALA43L, ALA60H, ALA93H, ARG38H, ARG94H, ASN170L, ASN58H, ASP101H, ASP139L, ASP144H, ASP50L, ASP51L, ASP53L, ASP85L, ASP92L, ASP95H, ASP95L, CYS135L, CYS140H, CYS213L, CYS216H, CYS88L, CYS92H, GLN105H, GLN127L, GLN168L, GLN171H, GLN37L, GLN38L, GLN39H, GLN42L, GLN43H, GLN61H, GLN64H, GLN6H, GLN7L, GLN89L, GLU124L, GLU125L, GLU161L, GLU212H, GLU212L, GLU46H, GLY100H, GLY101L, GLY104H, GLY106H, GLY139H, GLY159L, GLY174H, GLY41L, GLY42H, GLY44H, GLY49H, GLY50H, GLY99H, GLY99L, HIS164H, HIS34L, ILE137L, ILE34H, ILE51H, LEU118L, LEU124H, LEU133L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU178H, LEU180L, LEU182L, LEU45H, LEU46L, LYS117H, LYS129H, LYS130L, LYS143H, LYS164L, LYS167L, LYS173L, LYS206L, LYS209H, LYS210H, LYS214H, LYS31L, LYS62H, MET100H, MET48H, MET98H, PHE119L, PHE122H, PHE126L, PHE140L, PHE166H, PHE98L, PRO120L, PRO121L, PRO123H, PRO126H, PRO165L, PRO167H, PRO210L, PRO44L, PRO55L, SER120H, SER122L, SER123L, SER127H, SER128H, SER136H, SER138L, SER166L, SER169L, SER172H, SER173H, SER177H, SER177L, SER178L, SER179H, SER180H, SER181L, SER215H, SER2L, SER32L, SER35H, SER94L, SER95L, THR100L, THR115L, THR117L, THR132L, THR162L, THR163L, THR165H, THR183H, THR207L, THR211L, THR33H, THR96H, TRP103H, TRP187L, TRP35L, TRP36H, TRP47H, TRP91L, TYR174L, TYR176H, TYR179L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR96L, VAL102H, VAL116L, VAL121H, VAL134L, VAL142H, VAL160L, VAL163H, VAL169H, VAL181H, VAL182H, VAL208L, VAL211H, VAL33L, VAL37H, VAL45L, VAL48L, VAL89H, VAL90L, VAL97H, VAL97L
• H-S: ALA57H, ALA60H, ARG395S, ARG426S, ARG94H, ASN424S, ASN427S, ASN435S, ASN479S, ASN58H, ASP392S, ASP393S, ASP480S, ASP95H, GLN492S, GLN61H, GLN64H, GLY100H, GLY434S, GLY482S, GLY488S, GLY490S, GLY49H, GLY50H, GLY55H, GLY99H, ILE34H, ILE489S, ILE51H, ILE53H, ILE56H, ILE69H, LEU54H, LYS390S, MET100H, MET98H, PHE29H, PHE483S, PRO52H, SER30H, SER31H, SER35H, SER432S, THR33H, THR431S, THR433S, THR485S, THR486S, THR487S, THR52H, THR96H, TRP47H, TYR32H, TYR436S, TYR440S, TYR481S, TYR484S, TYR491S, TYR494S, TYR59H, VAL97H
• L-S: ALA398S, ALA422S, ARG395S, ASN27L, ASN357S, ASN424S, ASN66L, ASP392S, ASP393S, ASP92L, ASP95L, GLN396S, GLN401S, GLN492S, GLN89L, GLY29L, GLY391S, GLY488S, GLY490S, GLY68L, HIS34L, ILE28L, ILE397S, ILE489S, LYS31L, LYS365S, LYS390S, PHE360S, PHE361S, PHE364S, SER2L, SER30L, SER32L, SER358S, SER362S, SER67L, SER93L, SER94L, SER95L, THR359S, THR363S, THR487S, TRP91L, TYR356S, TYR3L, TYR491S, TYR494S, TYR96L, VAL394S, VAL90L