3RU8

structure of an hiv epitope scaffold in complex with neutralizing antibody b12 fab

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: X-H
  • Int. Res.: 93
  • Norm. En. per Res.: -3.9348
• Hub Node: X(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
X-H	-66.4015	-29.9961	-269.537	-365.9346	93	13	2	9903	2	16	10
X-L	-3.3539	0.0	-31.3712	-34.7251	20	1	0	1081	0	3	2
H-L	-41.316	-19.9969	-480.665	-541.9779	190	20	12	18846	1	28	23

Interface residues

• X-H: ALA154X, ALA157X, ALA158X, ALA159X, ALA163X, ALA257X, ALA259X, ALA71H, ARG123X, ARG162X, ARG28H, ARG94H, ASN100H, ASN31H, ASN42X, ASN52H, ASN54H, ASN56H, ASN76H, ASP100H, ASP114X, ASP221X, ASP253X, ASP72H, ASP72X, ASP78X, CYS220X, CYS255X, GLN100H, GLN119X, GLN155X, GLN161X, GLN1H, GLN3H, GLN43X, GLN81X, GLU116X, GLU120X, GLU83X, GLY112X, GLY113X, GLY254X, GLY258X, GLY26H, GLY55H, GLY74X, GLY77X, GLY82X, GLY96H, HIS151X, HIS44X, ILE117X, ILE256X, LEU109X, LEU122X, LEU160X, MET156X, MET79X, PHE29H, PHE32H, PRO100H, PRO108X, PRO115X, PRO52H, PRO75X, PRO97H, SER100H, SER111X, SER152X, SER30H, SER74H, SER80X, SER99H, THR124X, THR73H, THR76X, TRP100H, TRP121X, TRP150X, TRP40X, TRP50H, TYR100H, TYR107X, TYR110X, TYR27H, TYR53H, TYR98H, VAL118X, VAL2H, VAL33H, VAL71X, VAL73X, VAL95H
• X-L: ALA149X, ALA215X, ALA56L, ARG46L, ARG55L, ASN217X, ASN54L, ASP61L, CYS220X, GLU218X, GLY216X, GLY58L, HIS50L, ILE49L, ILE59L, PRO222X, SER219X, SER57L, SER60L, VAL48L
• H-L: ALA125H, ALA131L, ALA138H, ALA139H, ALA176H, ALA35L, ALA44L, ALA56L, ALA61H, ALA93H, ALA94L, ARG143L, ARG24L, ARG32L, ARG33L, ARG38H, ARG44H, ARG46L, ARG55L, ARG94H, ASN100H, ASN138L, ASN139L, ASN159L, ASN54L, ASP100H, ASP101H, ASP123L, ASP146H, ASP168L, ASP171L, CYS135L, CYS142H, CYS89L, CYS92H, GLN100H, GLN101L, GLN125L, GLN161L, GLN167L, GLN179H, GLN38L, GLN39H, GLN43H, GLN43L, GLN6H, GLN6L, GLN90L, GLU124L, GLU162L, GLU166L, GLU46H, GLU58H, GLY100L, GLY102L, GLY104H, GLY106H, GLY129L, GLY135H, GLY141H, GLY158L, GLY169H, GLY42H, GLY42L, GLY49H, GLY51L, GLY93L, GLY96H, HIS172H, HIS35H, HIS39L, HIS50L, ILE118L, ILE2L, ILE49L, LEU124H, LEU126L, LEU136L, LEU137L, LEU140H, LEU143H, LEU176L, LEU178H, LEU180L, LEU182L, LEU184H, LEU187H, LEU47L, LEU4H, LEU4L, LEU86L, LYS105H, LYS127L, LYS145H, LYS170L, LYS208L, LYS221H, MET100H, MET48H, PHE117L, PHE119L, PHE122H, PHE140L, PHE174H, PHE210L, PHE45H, PHE59H, PHE99L, PRO100H, PRO120L, PRO121L, PRO123H, PRO126H, PRO175H, PRO45L, PRO97H, SER100H, SER115L, SER120H, SER122L, SER127H, SER128H, SER128L, SER132L, SER134H, SER160L, SER163L, SER169L, SER175L, SER177L, SER178L, SER180H, SER182H, SER186H, SER188H, SER189H, SER31L, SER57L, SER60H, SER95L, SER96L, SER99H, THR130L, THR133H, THR137H, THR165L, THR173H, THR173L, THR179L, THR181L, THR192H, THR5L, THR98L, TRP103H, TRP36H, TRP36L, TRP47H, TRP50H, TYR100H, TYR174L, TYR185H, TYR37L, TYR87L, TYR88L, TYR91H, TYR92L, TYR97L, VAL102H, VAL116L, VAL121H, VAL133L, VAL134L, VAL144H, VAL164L, VAL171H, VAL177H, VAL190H, VAL191H, VAL193H, VAL219H, VAL225H, VAL33H, VAL34L, VAL37H, VAL3L, VAL48L, VAL52L, VAL89H, VAL91L, VAL95H