3Q6G

crystal structure of fab of rhesus mab 2.5b specific for quaternary neutralizing epitope of hiv-1 gp120

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: M-I
  • Int. Res.: 187
  • Norm. En. per Res.: -2.7765
• Hub Node: L(3)

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	-28.4498	-33.6614	-416.304	-478.4152	187	22	12	18063	5	21	24
L-M	0.0	5.7774	-11.8771	-6.0997	27	1	0	709	0	6	3
L-I	0.0	0.0	-4.2987	-4.2987	14	0	0	223	0	1	0
H-M	0.0	0.0	-13.6653	-13.6653	13	0	0	560	0	0	0
H-I	-5.9431	0.0	-79.089	-85.0321	55	3	1	4151	0	1	3
M-I	-44.0029	-30.754	-444.446	-519.2029	187	12	12	18487	5	22	26

Interface residues

• L-H: ALA125H, ALA127L, ALA130L, ALA136H, ALA137H, ALA168H, ALA173L, ALA174L, ALA207L, ALA43L, ALA50L, ALA93H, ARG103L, ARG129H, ARG210H, ARG38H, ARG8L, ARG94H, ASN128L, ASN169L, ASN60H, ASP101H, ASP138L, ASP144H, ASP51L, ASP52L, ASP58H, ASP85L, ASP92L, ASP96H, CYS134L, CYS140H, CYS88L, CYS92H, GLN105H, GLN126L, GLN167L, GLN171H, GLN34L, GLN37L, GLN38L, GLN39H, GLN42L, GLN89L, GLU100H, GLU123L, GLU124L, GLU133H, GLU160L, GLU212H, GLU46H, GLU53L, GLU6H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY139H, GLY158L, GLY174H, GLY42H, GLY44H, GLY49H, GLY99L, HIS164H, HIS95L, ILE136L, ILE213H, ILE37H, ILE48H, ILE95H, LEU100H, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU138H, LEU141H, LEU170H, LEU175H, LEU178H, LEU178L, LEU180L, LEU45H, LEU46L, LEU50H, LEU63H, LEU97L, LYS117H, LYS129L, LYS143H, LYS163L, LYS166L, LYS171L, LYS204L, LYS209H, LYS31L, LYS43H, MET48L, MET96L, PHE118L, PHE122H, PHE139L, PHE166H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO167H, PRO40L, PRO41L, PRO44L, PRO61H, SER102H, SER114L, SER120H, SER121L, SER122L, SER127H, SER128H, SER130H, SER137L, SER165L, SER168L, SER172H, SER173H, SER175L, SER176L, SER177H, SER179H, SER179L, SER180H, SER32L, SER35H, SER49L, SER55L, SER56H, SER62H, SER93L, SER95L, THR100H, THR116L, THR131L, THR161L, THR162L, THR165H, THR181L, THR183H, THR205L, THR57H, TRP103H, TRP35L, TRP36H, TRP47H, TRP91L, TYR100H, TYR145H, TYR172L, TYR176H, TYR177L, TYR36L, TYR59H, TYR86L, TYR87L, TYR91H, VAL108H, VAL115L, VAL121H, VAL133L, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL182H, VAL206L, VAL211H, VAL33L, VAL45L, VAL47L, VAL89H, VAL90L, VAL98H
• L-M: ALA154L, ALA157L, ALA80M, ARG54M, ARG61M, ASN156L, ASN170M, ASP82M, GLU145L, GLU160L, GLU60M, GLU79M, GLY158L, GLY57M, GLY81M, ILE58M, LYS163L, LYS39M, PHE62M, PRO59M, SER55M, SER56M, THR161L, VAL144L, VAL146L, VAL155L, VAL159L
• L-I: ASN128L, ASP183L, GLN184L, GLN1I, GLN3I, GLY157I, GLY162I, LEU159I, LYS129L, LYS186L, SER158I, SER161I, SER187L, THR160I
• H-M: GLN171H, GLY174H, GLY57M, ILE58M, LEU170H, LEU175H, LEU46M, SER172H, SER173H, SER55M, SER56M, VAL169H, VAL45M
• H-I: ALA114H, ALA84H, ALA85H, ARG66H, ARG94I, ASN31I, ASN32I, ASN76I, ASP101I, ASP144H, ASP86H, ASP96I, GLN1I, GLN3I, GLU16H, GLY118H, GLY174H, GLY26I, GLY27I, HIS100I, HIS33I, ILE29I, ILE95I, ILE99I, LEU175H, LEU2I, LYS117H, LYS13H, LYS64H, PHE146H, PRO14H, SER100I, SER102I, SER112H, SER113H, SER115H, SER120H, SER15H, SER172H, SER173H, SER25I, SER28I, SER30I, SER53I, SER82H, THR100I, THR116H, THR83H, TYR100I, TYR145H, VAL111H, VAL24I, VAL82H, VAL97I, VAL98I
• M-I: ALA125I, ALA127M, ALA130M, ALA136I, ALA137I, ALA168I, ALA173M, ALA174M, ALA207M, ALA43M, ALA50M, ALA93I, ARG103M, ARG129I, ARG210I, ARG38I, ARG94I, ASN128M, ASN169M, ASN60I, ASP101I, ASP138M, ASP144I, ASP51M, ASP52M, ASP58I, ASP85M, ASP92M, ASP96I, CYS134M, CYS140I, CYS88M, CYS92I, GLN105I, GLN126M, GLN167M, GLN171I, GLN34M, GLN37M, GLN38M, GLN39I, GLN42M, GLN89M, GLU100I, GLU123M, GLU124M, GLU133I, GLU160M, GLU212I, GLU46I, GLU53M, GLU6I, GLY100I, GLY100M, GLY101M, GLY104I, GLY106I, GLY139I, GLY158M, GLY42I, GLY44I, GLY49I, GLY99M, HIS164I, HIS33I, HIS95M, ILE136M, ILE213I, ILE37I, ILE48I, ILE95I, LEU100I, LEU117M, LEU124I, LEU125M, LEU132M, LEU135M, LEU138I, LEU141I, LEU170I, LEU175I, LEU178I, LEU178M, LEU180M, LEU45I, LEU46M, LEU50I, LEU97M, LYS129M, LYS143I, LYS163M, LYS166M, LYS171M, LYS204M, LYS209I, LYS31M, LYS39M, LYS43I, MET48M, MET96M, PHE118M, PHE122I, PHE139M, PHE166I, PHE98M, PRO119M, PRO120M, PRO123I, PRO126I, PRO164M, PRO167I, PRO40I, PRO40M, PRO41I, PRO41M, PRO44M, PRO61I, SER102I, SER114M, SER120I, SER121M, SER122M, SER127I, SER128I, SER130I, SER137M, SER165M, SER168M, SER172I, SER173I, SER175M, SER176M, SER177I, SER179I, SER179M, SER180I, SER32M, SER35I, SER49M, SER55M, SER56M, SER62I, SER95M, THR100I, THR116M, THR131M, THR161M, THR162M, THR165I, THR181M, THR183I, THR205M, THR57I, TRP103I, TRP34I, TRP35M, TRP36I, TRP47I, TRP91M, TYR100I, TYR145I, TYR172M, TYR176I, TYR177M, TYR36M, TYR59I, TYR86M, TYR87M, TYR91I, VAL108I, VAL115M, VAL121I, VAL133M, VAL142I, VAL159M, VAL169I, VAL181I, VAL182I, VAL206M, VAL211I, VAL33M, VAL45M, VAL47M, VAL89I, VAL90M, VAL97I, VAL98I