1N0X

crystal structure of a broadly neutralizing anti-hiv-1 antibody in complex with a peptide mimotope

• Total interactions analyzed: 15
• Total true interactions: 13
• Strongest Interaction:
  • Chains: M-R
  • Int. Res.: 36
  • Norm. En. per Res.: -3.6937
• Hub Node: L(5)

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	-22.9201	-33.7554	-483.935	-540.6105	187	15	13	18924	3	32	23
L-M	0.0	25.1619	-26.8077	-1.6458	20	3	0	1130	0	1	10
L-K	0.0	0.0	-0.2894	-0.2894	3	0	0	42	0	3	0
L-P	-9.8471	-25.693	-95.2704	-130.8105	38	5	4	3947	1	9	6
L-R	0.0	-4.9427	-1.5999	-6.5427	8	0	0	231	0	4	3
H-P	0.0	-1.2051	-42.3379	-43.543	27	2	0	1825	0	3	7
H-R	-8.7875	0.0	-10.7699	-19.5574	10	1	0	563	0	3	3
M-K	-36.5022	-18.9366	283.146	227.7071	189	20	12	18591	0	32	24
M-P	0.0	0.0	-0.141	-0.141	6	0	0	41	0	2	3
M-R	-8.3877	-29.0034	-95.5829	-132.9739	36	6	3	3973	1	9	6
K-P	0.0	0.0	-5.0578	-5.0578	9	0	0	402	0	3	3
K-R	0.0	14.807	-46.7948	-31.9878	26	2	0	1695	0	4	4
P-R	0.0	-18.8255	612.869	594.0435	27	8	2	3163	2	8	13

Interface residues

• L-H: ALA125H, ALA130L, ALA138H, ALA139H, ALA176H, ALA34L, ALA43L, ALA55L, ALA61H, ALA93H, ALA93L, ARG142L, ARG24L, ARG31L, ARG32L, ARG38H, ARG44H, ARG45L, ARG94H, ASN100H, ASN137L, ASN138L, ASN53L, ASP100H, ASP101H, ASP122L, ASP146H, ASP167L, ASP170L, CYS134L, CYS142H, CYS214L, CYS88L, CYS92H, GLN100H, GLN100L, GLN124L, GLN160L, GLN179H, GLN1H, GLN37L, GLN39H, GLN42L, GLN43H, GLN6H, GLN6L, GLN89L, GLU123L, GLU161L, GLU165L, GLU1L, GLU46H, GLU58H, GLY101L, GLY104H, GLY106H, GLY141H, GLY169H, GLY212L, GLY41L, GLY42H, GLY49H, GLY50L, GLY92L, GLY96H, GLY99L, HIS172H, HIS35H, HIS38L, HIS49L, ILE117L, ILE2L, ILE48L, LEU124H, LEU125L, LEU135L, LEU136L, LEU140H, LEU143H, LEU175L, LEU178H, LEU181L, LEU184H, LEU187H, LEU46L, LEU4H, LEU4L, LEU85L, LYS105H, LYS126L, LYS145H, LYS207L, LYS221H, LYS228H, LYS39L, LYS62H, MET100H, MET48H, PHE116L, PHE118L, PHE122H, PHE139L, PHE174H, PHE209L, PHE45H, PHE59H, PHE98L, PRO100H, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO40L, PRO44L, PRO97H, SER100H, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER131L, SER159L, SER162L, SER174L, SER176L, SER177L, SER180H, SER182H, SER186H, SER188H, SER189H, SER195H, SER30L, SER56L, SER60H, SER94L, SER95L, THR129L, THR137H, THR164L, THR172L, THR173H, THR178L, THR180L, THR192H, THR5L, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TRP50H, TYR100H, TYR173L, TYR185H, TYR186L, TYR36L, TYR86L, TYR87L, TYR91H, TYR91L, TYR96L, VAL102H, VAL115L, VAL121H, VAL132L, VAL133L, VAL163L, VAL171H, VAL177H, VAL190H, VAL191H, VAL193H, VAL219H, VAL225H, VAL33H, VAL33L, VAL37H, VAL3L, VAL47L, VAL51L, VAL89H, VAL90L, VAL95H
• L-M: ARG29L, ARG29M, ARG31L, ARG31M, ARG32M, GLY50M, GLY66L, GLY68L, GLY68M, ILE28L, ILE28M, PHE71L, SER28L, SER28M, SER30L, SER30M, SER67L, SER67M, THR69L, VAL51L
• L-K: ARG29L, ASP100K, SER100K
• L-P: ALA16P, ALA17P, ALA93L, ARG13P, ARG29L, ARG31L, ARG32L, ASN12P, ASP9P, CYS14P, GLU11P, GLU1L, GLY68L, GLY92L, HIS27L, ILE15P, ILE28L, ILE2L, LEU10P, LYS20P, LYS21P, MET6P, PHE71L, PHE7P, SER25L, SER26L, SER28L, SER30L, SER8P, SER94L, SER95L, THR97L, TYR5P, TYR91L, TYR96L, VAL33L, VAL3L, VAL90L
• L-R: ARG13R, ARG29L, ARG31L, ARG32L, ASN12R, ASP9R, PHE7R, SER30L
• H-P: ALA16P, ALA17P, ARG3P, ASN52H, ASN54H, ASN56H, ASP100H, GLN100H, GLU18P, GLU58H, GLY55H, ILE15P, ILE51H, LYS20P, LYS21P, LYS57H, MET6P, PHE59H, PHE7P, PRO100H, SER100H, SER4P, TRP47H, TRP50H, TYR100H, TYR5P, VAL33H
• H-R: ARG13R, ASN12R, ASP100H, CYS14R, GLU11R, PHE7R, PRO100H, SER100H, SER99H, TRP100H
• M-K: ALA125K, ALA130M, ALA138K, ALA139K, ALA176K, ALA34M, ALA43M, ALA55M, ALA61K, ALA93K, ALA93M, ARG24M, ARG31M, ARG32M, ARG38K, ARG44K, ARG45M, ARG94K, ASN100K, ASN137M, ASN138M, ASN53M, ASP100K, ASP101K, ASP122M, ASP146K, ASP167M, ASP170M, CYS134M, CYS142K, CYS214M, CYS230K, CYS23M, CYS88M, CYS92K, GLN100K, GLN100M, GLN124M, GLN160M, GLN179K, GLN37M, GLN39K, GLN42M, GLN43K, GLN6K, GLN6M, GLN89M, GLU123M, GLU161M, GLU165M, GLU213M, GLU226K, GLU46K, GLU58K, GLY101M, GLY104K, GLY106K, GLY128M, GLY136K, GLY141K, GLY169K, GLY212M, GLY41M, GLY42K, GLY49K, GLY50M, GLY92M, GLY96K, GLY99M, HIS172K, HIS35K, HIS38M, HIS49M, ILE117M, ILE2M, ILE48M, LEU124K, LEU125M, LEU135M, LEU136M, LEU140K, LEU143K, LEU175M, LEU178K, LEU179M, LEU181M, LEU187K, LEU46M, LEU4K, LEU4M, LEU85M, LYS105K, LYS126M, LYS145K, LYS169M, LYS221K, LYS222K, LYS228K, LYS39M, LYS62K, MET100K, MET48K, PHE116M, PHE118M, PHE122K, PHE139M, PHE174K, PHE45K, PHE59K, PHE98M, PRO100K, PRO119M, PRO120M, PRO123K, PRO126K, PRO175K, PRO40M, PRO44M, PRO97K, SER100K, SER114M, SER120K, SER121M, SER127K, SER127M, SER131M, SER159M, SER162M, SER168K, SER174M, SER176M, SER177M, SER180K, SER186K, SER188K, SER189K, SER195K, SER229K, SER30M, SER56M, SER60K, SER94M, SER95M, THR129M, THR137K, THR164M, THR172M, THR173K, THR178M, THR180M, THR192K, THR5M, THR97M, TRP103K, TRP35M, TRP36K, TRP47K, TRP50K, TYR100K, TYR173M, TYR36M, TYR86M, TYR87M, TYR91K, TYR91M, TYR96M, VAL102K, VAL115M, VAL121K, VAL132M, VAL133M, VAL144K, VAL163M, VAL171K, VAL177K, VAL190K, VAL191K, VAL193K, VAL225K, VAL2K, VAL33K, VAL33M, VAL37K, VAL3M, VAL47M, VAL51M, VAL89K, VAL90M, VAL95K
• M-P: ARG29M, ARG31M, ARG32M, ASN12P, PHE7P, SER30M
• M-R: ALA16R, ALA17R, ALA93M, ARG13R, ARG29M, ARG31M, ARG32M, ASN12R, ASP9R, CYS14R, GLU11R, GLU18R, GLU1M, GLY68M, GLY92M, HIS27M, ILE15R, ILE28M, ILE2M, LEU10R, MET6R, PHE7R, SER25M, SER26M, SER28M, SER30M, SER8R, SER94M, SER95M, THR97M, TYR5R, TYR91M, TYR96M, VAL33M, VAL3M, VAL90M
• K-P: ARG13P, ASN12P, ASP100K, CYS14P, GLU11P, PHE7P, PRO100K, SER100K, TRP100K
• K-R: ALA16R, ALA17R, ARG3R, ASN52K, ASN54K, ASN56K, ASP100K, GLN100K, GLN64K, GLU18R, GLU2R, GLU58K, GLY55K, ILE15R, LYS20R, LYS57K, MET6R, PHE59K, PHE7R, PRO100K, SER100K, SER4R, TRP47K, TRP50K, TYR100K, TYR5R
• P-R: ALA16P, ALA16R, ALA17P, ARG13P, ARG13R, ARG3P, ARG3R, ASN12R, CYS14P, CYS14R, GLU18P, GLU2P, GLU2R, HIS1P, HIS1R, ILE15P, ILE15R, MET6P, MET6R, PHE7P, PHE7R, SER4P, SER4R, SER8P, SER8R, TYR5P, TYR5R