2CMR

crystal structure of the hiv-1 neutralizing antibody d5 fab bound to the gp41 inner-core mimetic 5-helix

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 77
  • Norm. En. per Res.: -3.1902
• Hub Node: A(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
A-H	-17.8972	0.0	-227.748	-245.6452	77	11	3	8771	0	5	1
A-L	-9.8154	9.9799	-78.0649	-77.9004	46	3	1	2915	0	7	5
H-L	-36.2106	-13.5725	-474.746	-524.5291	187	19	16	17931	0	15	8

Interface residues

• A-H: ALA196A, ALA213A, ALA33H, ALA37A, ALA57H, ARG214A, ARG94H, ASN58H, ASN96H, ASP101H, ASP27H, ASP95H, GLN160A, GLN198A, GLN202A, GLN210A, GLN212A, GLN26A, GLN34A, GLN36A, GLN64H, GLU195A, GLU73H, GLY100H, GLY207A, GLY31A, GLY49H, GLY50H, GLY55H, HIS153A, HIS199A, ILE120A, ILE156A, ILE208A, ILE32A, ILE34H, ILE39A, ILE51H, ILE52H, ILE53H, ILE69H, LEU100H, LEU123A, LEU200A, LEU201A, LEU203A, LEU211A, LEU25A, LEU35A, LEU40A, LEU99H, LYS209A, LYS33A, PHE29H, PHE54H, PRO52H, PRO97H, SER100H, SER150A, SER30H, SER31H, SER35H, THR149A, THR204A, THR28A, THR28H, THR56H, THR68H, THR70H, THR98H, TRP206A, TRP30A, TRP47H, TYR32H, TYR59H, VAL205A, VAL29A
• A-L: ALA213A, ARG143A, ASN146A, ASN147A, ASN93L, ASP142A, GLN198A, GLN202A, GLN210A, GLN212A, GLU140A, GLU144A, GLU157A, GLY207A, GLY28L, HIS153A, HIS199A, HIS31L, ILE145A, ILE152A, ILE156A, ILE208A, ILE29L, LEU151A, LEU203A, LEU211A, LEU96L, LYS209A, LYS50L, MET139A, PRO95L, SER150A, SER154A, SER53L, SER67L, SER92L, THR149A, TRP141A, TRP206A, TRP32L, TYR148A, TYR30L, TYR49L, TYR91L, TYR94L, VAL205A
• H-L: ALA105H, ALA125H, ALA129L, ALA136H, ALA137H, ALA168H, ALA33H, ALA34L, ALA43L, ALA51L, ALA55L, ALA57H, ALA60H, ALA62H, ALA93H, ARG141L, ARG38H, ARG94H, ASN136L, ASN137L, ASN58H, ASN93L, ASN96H, ASP101H, ASP121L, ASP144H, ASP166L, ASP169L, ASP1L, ASP95H, CYS133L, CYS140H, CYS88L, CYS92H, GLN123L, GLN159L, GLN171H, GLN37L, GLN38L, GLN39H, GLN3L, GLN43H, GLN61H, GLN64H, GLN6H, GLN6L, GLN89L, GLN90L, GLU122L, GLU160L, GLU164L, GLU46H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY139H, GLY162H, GLY174H, GLY41L, GLY42H, GLY44H, GLY49H, GLY50H, GLY99L, HIS164H, HIS31L, ILE116L, ILE29L, ILE2L, ILE34H, ILE48L, ILE51H, ILE52H, ILE89H, LEU100H, LEU124H, LEU124L, LEU134L, LEU135L, LEU138H, LEU141H, LEU170H, LEU174L, LEU175H, LEU178H, LEU178L, LEU180L, LEU33L, LEU45H, LEU46L, LEU47L, LEU54L, LEU96L, LEU99H, LYS103L, LYS125L, LYS143H, LYS168L, LYS209H, LYS39L, LYS42L, LYS45L, LYS50L, MET48H, PHE115L, PHE117L, PHE122H, PHE138L, PHE166H, PHE63H, PHE98L, PRO118L, PRO119L, PRO123H, PRO167H, PRO40L, PRO44L, PRO95L, PRO97H, SER100H, SER113L, SER120H, SER120L, SER126L, SER130L, SER158L, SER161H, SER161L, SER167L, SER172H, SER173H, SER173L, SER175L, SER176L, SER177H, SER179H, SER180H, SER186H, SER35H, SER53L, SER56L, SER92L, THR128L, THR135H, THR160H, THR163L, THR165H, THR171L, THR177L, THR179L, THR183H, THR56H, THR85L, THR97L, THR98H, TRP103H, TRP32L, TRP35L, TRP36H, TRP47H, TYR102H, TYR172L, TYR176H, TYR30L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR91L, TYR94L, VAL114L, VAL121H, VAL131L, VAL132L, VAL142H, VAL162L, VAL163H, VAL169H, VAL181H, VAL182H, VAL184H, VAL211H, VAL37H