3U2S

crystal structure of pg9 fab in complex with v1v2 region from hiv-1 strain zm109

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 36
  • Norm. En. per Res.: -3.5959
• Hub Node: H(4)

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
H-L	-33.0223	-27.4955	-440.096	-500.6138	184	19	11	19033	6	31	47
H-G	-34.0513	3.1859	-103.141	-134.0064	40	3	0	4218	3	17	9
H-B	0.0	0.0	-25.6971	-25.6971	30	1	0	1111	0	1	0
H-C	0.0	0.0	-6.8332	-6.8332	10	0	0	501	0	0	2
L-G	0.0	0.0	-0.0068	-0.0068	3	0	0	8	0	0	0
L-A	0.0	0.0	-18.0336	-18.0336	40	6	0	1792	0	3	5
L-B	0.0	0.0	-7.441	-7.441	23	1	0	506	0	4	5
L-C	-10.6857	-20.4898	-24.1638	-55.3393	17	5	0	912	2	5	7
G-C	0.0	0.0	-0.0743	-0.0743	6	0	0	17	0	4	2
A-B	-28.4428	-39.3397	-449.855	-517.6375	180	13	13	18628	6	32	49
A-C	-27.8019	2.655	-104.304	-129.4509	36	10	0	4183	3	17	9
B-C	0.0	0.0	-0.001	-0.001	3	0	0	3	0	0	0

Interface residues

• H-L: ALA125H, ALA127L, ALA130L, ALA136H, ALA137H, ALA168H, ALA173L, ALA174L, ALA3L, ALA40H, ALA43L, ALA49H, ALA60H, ALA96H, ARG38H, ARG54L, ARG94H, ARG95L, ARG96L, ASN100H, ASN128L, ASN169L, ASP100H, ASP101H, ASP138L, ASP144H, ASP50L, ASP61H, ASP85L, CYS134L, CYS140H, CYS88L, CYS92H, GLN126L, GLN167L, GLN171H, GLN37L, GLN38L, GLN39H, GLN43H, GLN6L, GLU123L, GLU124L, GLU160L, GLU212H, GLU31L, GLU46H, GLU56H, GLU6H, GLU95H, GLY101L, GLY104H, GLY106H, GLY139H, GLY158L, GLY162H, GLY33H, GLY41L, GLY42H, GLY44H, GLY99L, HIS100H, HIS164H, HIS35H, HIS59H, ILE136L, ILE48L, ILE51H, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU138H, LEU141H, LEU170H, LEU175H, LEU178H, LEU178L, LEU180L, LEU45H, LEU91L, LYS105H, LYS117H, LYS129L, LYS143H, LYS166L, LYS171L, LYS209H, LYS210H, LYS42L, LYS45L, LYS52H, LYS53L, LYS57H, LYS89L, MET100H, MET34H, PHE118L, PHE122H, PHE139L, PHE166H, PHE50H, PHE91H, PHE98L, PRO119H, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO167H, PRO40L, PRO44L, PRO55L, SER120H, SER121L, SER122L, SER127H, SER137L, SER161H, SER165L, SER168L, SER172H, SER173H, SER175L, SER176L, SER177H, SER179H, SER179L, SER180H, SER2L, SER32L, SER34L, SER56L, SER62H, SER90L, THR100L, THR116L, THR131L, THR135H, THR160H, THR161L, THR162L, THR163L, THR165H, THR183H, THR89H, THR92L, THR94L, TRP103H, TRP35L, TRP36H, TRP47H, TRP64H, TYR100H, TYR172L, TYR177L, TYR30L, TYR36L, TYR49L, TYR58H, TYR86L, TYR87L, VAL102H, VAL121H, VAL133L, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL182H, VAL206L, VAL211H, VAL33L, VAL37H, VAL46L, VAL47L, VAL48H, VAL51L, VAL63H, VAL93H, VAL97L
• H-G: ALA130G, ALA174G, ARG100H, ARG168G, ARG192G, ARG31H, ASN100H, ASN160G, ASN173G, ASP100H, ASP167G, ASP223G, ASP53H, CYS157G, GLN170G, GLU225G, GLU239G, GLY100H, GLY221G, GLY224G, GLY240G, HIS156G, ILE161G, ILE222G, LYS166G, LYS169G, LYS171G, LYS52H, PHE100H, PHE159G, PRO99H, SER158G, SER55H, THR162G, THR163G, THR175G, TYR100H, TYR52H, VAL165G, VAL172G
• H-B: ALA158H, ALA80B, ARG61B, ASN155H, ASN170B, ASP82B, GLN108B, GLN192H, GLN79B, GLU81B, GLY107B, GLY157H, GLY162H, GLY16B, GLY77B, LEU106B, LEU159H, LEU78B, PRO109B, PRO15B, PRO185H, SER14B, SER156H, SER161H, SER168B, SER187H, SER188H, THR160H, VAL106B, VAL163H
• H-C: ALA207C, ALA210C, ARG100H, ASN100H, ASN218C, GLN215C, GLY100H, LYS211C, LYS214C, TYR100H
• L-G: ARG95L, LEU190G, LYS171G
• L-A: ALA80L, ARG100A, ARG31A, ARG3A, ARG54L, ARG61L, ARG94A, ASN100A, ASN60L, ASP101A, ASP28A, GLN108L, GLN17L, GLN32A, GLN79L, GLU81L, GLY100A, GLY107L, GLY16L, GLY26A, GLY57L, GLY77L, GLY97A, GLY98A, LEU78L, LYS105A, PHE27A, PHE62L, PRO109L, PRO15L, PRO55L, PRO99A, SER14L, SER25A, SER56L, SER59L, SER76L, TYR100A, VAL102A, VAL58L
• L-B: ALA80B, ALA80L, ARG54B, ARG61B, ASN169L, ASN170L, ASN60B, GLN167L, GLN79B, GLU81B, GLU81L, GLU83L, GLY57B, HIS39B, HIS39L, LYS166L, LYS42B, LYS42L, LYS45B, SER168L, SER56B, SER59B, VAL58B
• L-C: ARG168C, ARG54L, ARG61L, ASN60L, ASP164C, ASP167C, GLY57L, LYS166C, LYS169C, LYS53L, PRO55L, SER56L, SER59L, SER76L, THR163C, VAL165C, VAL58L
• G-C: ALA207C, ASP205C, ASP223G, LYS211C, LYS214G, VAL204C
• A-B: ALA125A, ALA127B, ALA130B, ALA136A, ALA137A, ALA168A, ALA173B, ALA174B, ALA3B, ALA43B, ALA49A, ALA60A, ALA96A, ARG38A, ARG54B, ARG94A, ARG95B, ARG96B, ASN100A, ASN128B, ASN169B, ASP100A, ASP101A, ASP138B, ASP144A, ASP50B, ASP61A, ASP85B, CYS134B, CYS140A, CYS88B, CYS92A, GLN126B, GLN167B, GLN171A, GLN37B, GLN38B, GLN39A, GLN43A, GLN6B, GLU123B, GLU124B, GLU160B, GLU212A, GLU31B, GLU46A, GLU56A, GLU6A, GLU95A, GLY101B, GLY104A, GLY106A, GLY139A, GLY158B, GLY33A, GLY41B, GLY42A, GLY44A, GLY99B, HIS100A, HIS164A, HIS35A, HIS59A, ILE136B, ILE48B, ILE51A, LEU117B, LEU124A, LEU125B, LEU132B, LEU135B, LEU138A, LEU141A, LEU170A, LEU175A, LEU178A, LEU178B, LEU180B, LEU45A, LEU91B, LYS105A, LYS117A, LYS129B, LYS143A, LYS166B, LYS171B, LYS209A, LYS210A, LYS42B, LYS45B, LYS52A, LYS53B, LYS57A, LYS89B, MET100A, MET34A, PHE118B, PHE122A, PHE139B, PHE166A, PHE50A, PHE91A, PHE98B, PRO119B, PRO120B, PRO123A, PRO126A, PRO164B, PRO167A, PRO41A, PRO44B, PRO55B, SER114B, SER120A, SER121B, SER122B, SER137B, SER165B, SER168B, SER172A, SER173A, SER175B, SER176B, SER177A, SER179A, SER179B, SER180A, SER2B, SER32B, SER34B, SER56B, SER62A, SER90B, THR100B, THR102B, THR116B, THR131B, THR161B, THR162B, THR163B, THR165A, THR183A, THR89A, THR92B, THR94B, TRP103A, TRP35B, TRP36A, TRP47A, TRP64A, TYR100A, TYR172B, TYR176A, TYR177B, TYR30B, TYR36B, TYR49B, TYR58A, TYR86B, TYR87B, VAL102A, VAL115B, VAL121A, VAL133B, VAL142A, VAL159B, VAL169A, VAL181A, VAL182A, VAL211A, VAL33B, VAL37A, VAL46B, VAL47B, VAL48A, VAL51B, VAL58B, VAL63A, VAL93A, VAL97B
• A-C: ALA130C, ALA174C, ARG100A, ARG168C, ARG31A, ASN100A, ASN160C, ASN173C, ASP100A, ASP167C, ASP223C, ASP53A, CYS157C, GLN170C, GLU239C, GLY100A, GLY221C, GLY224C, HIS156C, ILE161C, ILE222C, LYS166C, LYS169C, LYS171C, LYS52A, PHE100A, PHE159C, PRO99A, SER158C, THR162C, THR163C, THR175C, TYR100A, TYR52A, VAL165C, VAL172C
• B-C: ARG95B, LEU190C, LYS171C