3INU

crystal structure of an unbound kz52 neutralizing anti-ebolavirus antibody.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: L-M
  • Int. Res.: 64
  • Norm. En. per Res.: -2.7813
• 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
H-L	-46.7126	2.7809	-465.155	-509.0868	194	16	16	19104	0	22	20
L-M	-35.0232	0.0	-142.982	-178.0052	64	5	5	5767	0	11	8
L-N	0.0	0.0	-18.1667	-18.1667	25	4	0	859	0	4	4
M-N	-32.0515	3.7095	-467.598	-495.94	201	16	17	19148	1	22	20

Interface residues

• H-L: ALA100H, ALA125H, ALA130L, ALA138H, ALA139H, ALA176H, ALA34L, ALA51L, ALA60H, ALA94L, ALA99H, ARG211L, ARG33H, ARG38H, ARG94H, ARG98H, ASN137L, ASN138L, ASN158L, ASN210L, ASN28L, ASN35H, ASP100H, ASP101H, ASP122L, ASP146H, ASP167L, ASP170L, ASP61H, CYS134L, CYS142H, CYS88L, CYS92H, GLN105H, GLN124L, GLN160L, GLN166L, GLN179H, GLN37L, GLN38L, GLN39H, GLN42L, GLN6L, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU1L, GLU46H, GLU55L, GLU6H, GLU95H, GLY100L, GLY101L, GLY104H, GLY106H, GLY133H, GLY141H, GLY157L, GLY169H, GLY183H, GLY41L, GLY42H, GLY44H, GLY96H, GLY99L, HIS172H, HIS58H, ILE102H, ILE117L, ILE48L, LEU124H, LEU125L, LEU135L, LEU136L, LEU140H, LEU143H, LEU175L, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU33L, LEU45H, LEU46L, LEU47L, LEU96L, LYS126L, LYS129H, LYS145H, LYS169L, LYS207L, LYS221H, LYS228H, LYS30L, LYS43H, LYS45L, LYS64H, MET100H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE174H, PHE209L, PHE98L, PRO113L, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO40L, PRO43L, PRO44L, PRO95L, PRO97H, SER100H, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER130H, SER131L, SER132H, SER159L, SER162L, SER168H, SER168L, SER174L, SER176L, SER177L, SER180H, SER182H, SER186H, SER188H, SER189H, SER208L, SER27L, SER50H, SER93L, THR129L, THR131H, THR137H, THR164L, THR167H, THR172L, THR173H, THR178L, THR180L, THR192H, THR53L, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TRP50L, TYR173L, TYR185H, TYR192L, TYR27L, TYR32L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR91L, TYR92L, VAL100H, VAL115L, VAL121H, VAL132L, VAL133L, VAL144H, VAL163L, VAL171H, VAL177H, VAL190H, VAL191H, VAL193H, VAL225H, VAL37H, VAL48H, VAL85L, VAL89H, VAL93H
• L-M: ALA111L, ALA112L, ALA114M, ALA12L, ALA84M, ARG108L, ARG142L, ARG202L, ASN137L, ASN138L, ASN216M, ASP146M, GLN166L, GLN179M, GLN199L, GLU105L, GLU143L, GLU150M, GLU17L, GLY16L, GLY183M, GLY200L, HIS198L, ILE106L, LEU11L, LEU11M, LEU15L, LEU178M, LEU184M, LEU201L, LYS107L, LYS117M, LYS13M, LYS43M, MET108M, PHE139L, PHE148M, PRO113L, PRO141L, PRO149M, PRO14M, PRO214M, SER112M, SER113M, SER114L, SER115M, SER14L, SER180M, SER182M, SER203L, SER215M, THR109L, THR110M, THR116M, THR172L, THR87M, TYR140L, TYR147M, TYR173L, TYR185M, VAL110L, VAL111M, VAL13L, VAL177M
• L-N: ALA12L, ASN158N, ASN22L, ASP9L, GLN147N, GLN155N, GLN160N, GLN6L, GLU161N, GLU17L, GLY157N, ILE21L, LEU11L, LEU154N, LYS107L, LYS24L, PRO8L, SER10L, SER14L, SER156N, SER159N, SER7L, THR102L, THR20L, VAL13L
• M-N: ALA100M, ALA125M, ALA130N, ALA138M, ALA139M, ALA176M, ALA34N, ALA51N, ALA60M, ALA94N, ALA99M, ARG142N, ARG211N, ARG33M, ARG38M, ARG94M, ARG98M, ASN137N, ASN138N, ASN158N, ASN210N, ASN28N, ASN35M, ASP100M, ASP101M, ASP122N, ASP146M, ASP167N, ASP170N, ASP61M, CYS134N, CYS142M, CYS88N, CYS92M, GLN105M, GLN124N, GLN160N, GLN166N, GLN179M, GLN37N, GLN38N, GLN39M, GLN42N, GLN6N, GLN89N, GLN90N, GLU123N, GLU161N, GLU165N, GLU1N, GLU46M, GLU55N, GLU6M, GLU95M, GLY100N, GLY101N, GLY104M, GLY106M, GLY133M, GLY141M, GLY157N, GLY169M, GLY183M, GLY41N, GLY42M, GLY44M, GLY96M, GLY99N, HIS172M, HIS58M, ILE102M, ILE117N, ILE48N, LEU124M, LEU125N, LEU135N, LEU136N, LEU140M, LEU143M, LEU175N, LEU178M, LEU179N, LEU181N, LEU184M, LEU187M, LEU33N, LEU45M, LEU46N, LEU47N, LEU4M, LEU96N, LYS126N, LYS129M, LYS145M, LYS169N, LYS207N, LYS221M, LYS222M, LYS30N, LYS43M, LYS45N, LYS64M, MET100M, PHE100M, PHE116N, PHE118N, PHE122M, PHE139N, PHE174M, PHE209N, PHE98N, PRO113N, PRO119N, PRO120N, PRO123M, PRO126M, PRO175M, PRO40N, PRO43N, PRO44N, PRO95N, PRO97M, SER100M, SER114N, SER120M, SER121N, SER127M, SER127N, SER128M, SER130M, SER131N, SER132M, SER159N, SER162N, SER168M, SER168N, SER174N, SER176N, SER177N, SER180M, SER182M, SER186M, SER188M, SER189M, SER208N, SER27N, SER49M, SER50M, SER56N, SER62M, SER93N, THR129N, THR131M, THR137M, THR164N, THR167M, THR172N, THR173M, THR178N, THR180N, THR192M, THR206N, THR53N, THR97N, TRP103M, TRP35N, TRP36M, TRP47M, TRP50N, TYR173N, TYR185M, TYR192N, TYR27N, TYR32N, TYR36N, TYR49N, TYR56M, TYR59M, TYR86N, TYR87N, TYR90M, TYR91M, TYR91N, TYR92N, VAL100M, VAL115N, VAL121M, VAL132N, VAL133N, VAL163N, VAL171M, VAL177M, VAL190M, VAL191M, VAL193M, VAL225M, VAL37M, VAL48M, VAL85N, VAL89M, VAL93M