3IDX

crystal structure of hiv-gp120 core in complex with cd4-binding site antibody b13, space group c222

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 86
  • Norm. En. per Res.: -3.3748
• Hub Node: G(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
G-H	-61.6498	-47.8654	-180.72	-290.2352	86	7	3	7321	5	25	21
G-L	0.0	0.0	-0.0757	-0.0757	4	0	0	30	0	1	1
H-L	-21.579	-53.3257	-440.604	-515.5087	199	11	14	19186	4	30	29

Interface residues

• G-H: ALA100H, ALA281G, ALA33H, ARG30H, ARG419G, ARG469G, ARG476G, ARG480G, ARG55H, ARG71H, ARG94H, ASN280G, ASN31H, ASN386G, ASN425G, ASN56H, ASN73H, ASP100H, ASP368G, ASP474G, ASP477G, ASP53H, ASP95H, CYS385G, CYS418G, CYS428G, GLN258G, GLN363G, GLU370G, GLY100H, GLY366G, GLY367G, GLY471G, GLY472G, GLY473G, GLY54H, GLY97H, HIS100H, HIS105G, ILE100H, ILE371G, ILE420G, ILE423G, ILE424G, ILE51H, ILE96H, LEU100H, LEU453G, LEU454G, LEU50H, LEU98H, LYS282G, LYS421G, LYS429G, LYS52H, LYS99H, MET34H, MET426G, MET475G, PHE27H, PHE29H, PHE382G, PHE383G, PRO369G, PRO417G, PRO470G, SER257G, SER364G, SER365G, SER387G, SER74H, THR100H, THR283G, THR28H, THR373G, THR388G, THR455G, TRP375G, TRP427G, TYR100H, TYR32H, TYR384G, TYR52H, TYR58H, VAL255G, VAL372G
• G-L: ARG30L, ARG419G, LYS421G, TYR32L
• H-L: ALA100H, ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA43L, ALA49H, ALA60H, ALA93H, ARG142L, ARG211L, ARG30L, ARG94H, ASN137L, ASN138L, ASN31L, ASN34L, ASN53L, ASN93L, ASP100H, ASP101H, ASP122L, ASP144H, ASP167L, ASP170L, ASP1L, ASP50L, ASP61H, ASP95H, CYS134L, CYS140H, CYS216H, CYS88L, CYS92H, GLN105H, GLN124L, GLN160L, GLN166L, GLN171H, GLN37L, GLN38L, GLN39H, GLN89L, GLN90L, GLN92L, GLU100H, GLU123L, GLU161L, GLU165L, GLU213L, GLU46H, GLU55L, GLU6H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY139H, GLY157L, GLY162H, GLY174H, GLY212L, GLY41L, GLY42H, GLY44H, GLY99L, HIS100H, HIS164H, HIS35H, HIS91L, ILE100H, ILE117L, ILE29L, ILE48L, ILE96H, LEU100H, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU181L, LEU33L, LEU45H, LEU46L, LEU47L, LEU50H, LEU95L, LYS126L, LYS143H, LYS169L, LYS207L, LYS209H, LYS214H, LYS39L, LYS42L, LYS43H, LYS45L, LYS52H, LYS57H, LYS64H, LYS99H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE209L, PHE98L, PRO100H, PRO113L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO213H, PRO40L, PRO44L, PRO95L, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER131L, SER132H, SER159L, SER161H, SER162L, SER168L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER186H, SER208L, SER215H, SER52L, SER54L, SER62H, THR100H, THR129L, THR131H, THR135H, THR160H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR56L, THR85L, THR96L, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TYR100H, TYR102H, TYR173L, TYR176H, TYR32L, TYR36L, TYR49L, TYR58H, TYR59H, TYR86L, TYR87L, TYR91H, VAL115L, VAL121H, VAL132L, VAL133L, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL184H, VAL207H, VAL37H, VAL48H, VAL89H, VAL94L