3LRS

structure of pg16, an antibody with broad and potent neutralization of hiv-1

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 34
  • Norm. En. per Res.: -3.4305
• 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
H-L	-43.992	-111.5913	-452.86	-608.4433	180	28	13	18566	11	29	42
H-F	-35.553	-14.0671	-108.921	-158.541	66	6	3	5077	1	5	4
L-C	0.0	4.6604	-59.8443	-55.1839	33	0	0	2360	0	3	9
L-D	-15.1148	-23.0835	-70.5423	-108.7407	32	7	0	2592	1	8	8
A-B	-39.25	-107.6563	-450.412	-597.3183	182	25	13	18591	12	29	42
A-D	-23.976	-10.858	-106.928	-141.762	67	7	3	4939	1	5	4
B-E	0.0	9.6848	-61.0908	-51.406	35	0	0	2294	0	3	9
B-F	-14.2541	-32.8883	-69.4946	-116.6369	34	6	0	2590	2	8	9
C-D	-45.8314	-104.1042	-463.083	-613.0185	186	33	13	19367	11	30	40
C-F	0.0	0.0	-5.4451	-5.4451	9	0	0	354	0	0	0
D-E	0.0	0.0	-4.7704	-4.7704	9	0	0	292	0	0	0
D-F	-7.6007	29.8249	-20.8288	1.3954	27	0	0	796	0	10	9
E-F	-48.9504	-94.0643	-447.983	-590.9977	175	17	13	18245	10	28	39

Interface residues

• H-L: ALA125H, ALA127L, ALA130L, ALA136H, ALA137H, ALA168H, ALA173L, ALA174L, ALA3L, ALA42L, ALA49H, ALA93H, ALA96H, ARG210H, ARG38H, ARG53L, ARG93L, ARG94H, ARG95L, ASN100H, ASN128L, ASN169L, ASP101H, ASP138L, ASP144H, ASP30L, ASP49L, ASP61H, ASP84L, CYS134L, CYS140H, CYS87L, CYS92H, GLN126L, GLN167L, GLN171H, GLN36L, GLN37L, GLN39H, GLN6L, GLU123L, GLU124L, GLU160L, GLU212H, GLU46H, GLU6H, GLU85H, GLU95H, GLY100L, GLY104H, GLY106H, GLY139H, GLY158L, GLY33H, GLY40L, GLY42H, GLY44H, GLY98L, GLY99L, HIS100H, HIS164H, HIS35H, HIS52L, HIS59H, HIS95L, ILE136L, ILE51H, ILE57L, ILE96L, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU138H, LEU141H, LEU170H, LEU175H, LEU178H, LEU180L, LEU45H, LEU50H, LEU90L, LYS105H, LYS117H, LYS129H, LYS129L, LYS143H, LYS166L, LYS171L, LYS209H, LYS41L, LYS43H, LYS44L, LYS57H, MET100H, MET46L, MET89H, PHE118L, PHE122H, PHE139L, PHE166H, PHE29L, PHE48L, PHE86L, PHE91H, PHE97L, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO167H, PRO39L, PRO41H, PRO43L, PRO54L, SER114L, SER120H, SER121L, SER122L, SER127H, SER137L, SER165L, SER168L, SER172H, SER173H, SER175L, SER176L, SER177H, SER179H, SER179L, SER180H, SER31L, SER33L, SER38L, SER55L, SER60H, SER62H, SER88L, SER89L, SER94L, THR101L, THR116L, THR131L, THR135H, THR161L, THR162L, THR163L, THR165H, THR183H, THR91L, TRP103H, TRP34L, TRP36H, TRP47H, TYR100H, TYR172L, TYR177L, TYR35L, TYR58H, TYR85L, VAL102H, VAL115L, VAL121H, VAL133L, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL182H, VAL206L, VAL211H, VAL32L, VAL37H, VAL45L, VAL47L, VAL48H, VAL50L
• H-F: ALA111F, ALA112F, ALA158H, ARG210H, ASN155H, ASP208H, GLN108F, GLN16F, GLN192H, GLU198F, GLU212H, GLY107F, GLY12F, GLY157H, GLY15F, GLY162H, GLY190H, GLY199F, GLY76F, HIS197F, ILE18F, ILE195H, ILE20F, ILE74F, LEU106F, LEU159H, LEU189H, LEU72F, LEU77F, LYS110F, PRO109F, PRO141F, PRO14F, PRO185H, PRO213H, PRO7F, SER11F, SER13F, SER156H, SER161H, SER187H, SER188H, SER200F, SER21F, SER71F, SER75F, SER9F, THR101F, THR104F, THR160H, THR17F, THR183H, THR191H, THR193H, THR196F, THR19F, THR201F, THR73F, TRP154H, TYR140F, TYR194H, VAL103F, VAL105F, VAL10F, VAL184H, VAL211H
• L-C: ARG56C, ARG60L, ARG66C, ASN170L, ASP61C, ASP81L, GLN108L, GLN16L, GLU80L, GLY107L, GLY15L, GLY65C, GLY76L, HIS59C, HIS78L, ILE79L, LEU106L, LEU77L, LYS110L, LYS171L, LYS57C, MET55C, MET63C, PRO109L, PRO14L, SER13L, SER52C, SER60C, SER62C, TRP47C, TRP64C, TYR58C, VAL105L
• L-D: ARG93D, ASN169L, ASN170L, ASP27D, ASP92D, GLN108L, GLN167L, GLU82L, GLY107L, GLY12L, GLY28D, HIS78L, HIS95D, ILE79L, LEU106L, LEU77L, LEU90D, LYS166L, LYS171L, PHE29D, PRO109L, PRO141L, PRO14L, SER13L, SER168L, SER27D, SER94D, THR104L, THR91D, TYR140L, TYR172L, VAL105L
• A-B: ALA125A, ALA127B, ALA130B, ALA136A, ALA137A, ALA168A, ALA173B, ALA174B, ALA3B, ALA42B, ALA49A, ALA93A, ALA96A, ARG210A, ARG38A, ARG53B, ARG93B, ARG94A, ARG95B, ASN100A, ASN128B, ASN169B, ASP101A, ASP138B, ASP144A, ASP30B, ASP49B, ASP61A, ASP84B, CYS134B, CYS140A, CYS87B, CYS92A, GLN126B, GLN167B, GLN171A, GLN36B, GLN37B, GLN39A, GLU123B, GLU124B, GLU160B, GLU203B, GLU212A, GLU46A, GLU6A, GLU95A, GLY100B, GLY104A, GLY106A, GLY139A, GLY158B, GLY33A, GLY40B, GLY42A, GLY44A, GLY98B, GLY99B, HIS100A, HIS164A, HIS35A, HIS52B, HIS59A, HIS95B, ILE136B, ILE57B, ILE96B, LEU117B, LEU124A, LEU125B, LEU132B, LEU135B, LEU138A, LEU141A, LEU170A, LEU175A, LEU178A, LEU178B, LEU180B, LEU45A, LEU50A, LEU90B, LYS105A, LYS117A, LYS129A, LYS129B, LYS143A, LYS166B, LYS171B, LYS204B, LYS209A, LYS41B, LYS43A, LYS44B, LYS57A, MET100A, MET46B, MET89A, PHE118B, PHE122A, PHE139B, PHE166A, PHE29B, PHE48B, PHE86B, PHE91A, PHE97B, PRO119B, PRO120B, PRO123A, PRO126A, PRO164B, PRO167A, PRO41A, PRO43B, PRO54B, SER114B, SER120A, SER121B, SER122B, SER127A, SER128A, SER130A, SER137B, SER165B, SER168B, SER172A, SER173A, SER175B, SER176B, SER177A, SER179A, SER179B, SER180A, SER31B, SER33B, SER55B, SER60A, SER62A, SER88B, SER89B, SER94B, THR101B, THR116B, THR131B, THR135A, THR161B, THR162B, THR163B, THR165A, THR183A, THR205B, THR91B, TRP103A, TRP34B, TRP36A, TRP47A, TYR100A, TYR145A, TYR172B, TYR177B, TYR35B, TYR58A, TYR85B, VAL102A, VAL115B, VAL121A, VAL133B, VAL142A, VAL159B, VAL163A, VAL169A, VAL181A, VAL182A, VAL206B, VAL211A, VAL32B, VAL37A, VAL45B, VAL47B, VAL48A, VAL50B
• A-D: ALA111D, ALA112D, ALA158A, ARG210A, ASN155A, ASP208A, GLN108D, GLN16D, GLN192A, GLU198D, GLU212A, GLY107D, GLY12D, GLY157A, GLY15D, GLY162A, GLY190A, GLY199D, GLY76D, HIS197D, ILE18D, ILE195A, ILE20D, ILE74D, LEU106D, LEU159A, LEU189A, LEU72D, LEU77D, LYS110D, PRO109D, PRO141D, PRO14D, PRO185A, PRO213A, PRO7D, SER11D, SER13D, SER156A, SER161A, SER187A, SER188A, SER200D, SER21D, SER71D, SER75D, SER9D, THR101D, THR104D, THR135A, THR160A, THR17D, THR183A, THR191A, THR193A, THR196D, THR19D, THR201D, THR73D, TRP154A, TYR140D, TYR194A, VAL103D, VAL105D, VAL10D, VAL184A, VAL211A
• B-E: ARG56E, ARG60B, ARG66E, ASN170B, ASP61E, GLN108B, GLN16B, GLU80B, GLU82B, GLY107B, GLY15B, GLY65E, GLY76B, HIS100E, HIS59E, HIS78B, ILE79B, LEU106B, LEU77B, LYS171B, LYS57E, LYS83E, MET55E, MET63E, PRO109B, PRO14B, SER13B, SER52E, SER60E, SER62E, TRP47E, TRP64E, TYR140B, TYR58E, VAL105B
• B-F: ARG93F, ASN169B, ASN170B, ASP27F, ASP92F, GLN108B, GLN167B, GLU82B, GLY107B, GLY12B, GLY28F, HIS78B, HIS95F, ILE79B, ILE96F, LEU106B, LEU77B, LEU90F, LYS166B, LYS171B, PHE29F, PRO109B, PRO141B, PRO14B, SER13B, SER168B, SER26F, SER27F, SER94F, THR104B, THR91F, TYR140B, TYR172B, VAL105B
• C-D: ALA125C, ALA127D, ALA130D, ALA136C, ALA137C, ALA168C, ALA173D, ALA174D, ALA3D, ALA42D, ALA49C, ALA93C, ALA96C, ARG210C, ARG38C, ARG53D, ARG93D, ARG94C, ARG95D, ASN100C, ASN128D, ASN169D, ASP101C, ASP138D, ASP144C, ASP30D, ASP49D, ASP61C, ASP84D, CYS134D, CYS140C, CYS87D, CYS92C, GLN126D, GLN167D, GLN171C, GLN36D, GLN37D, GLN39C, GLU123D, GLU124D, GLU160D, GLU212C, GLU46C, GLU6C, GLU95C, GLY100D, GLY104C, GLY106C, GLY139C, GLY158D, GLY174C, GLY33C, GLY40D, GLY42C, GLY44C, GLY98D, GLY99D, HIS100C, HIS164C, HIS35C, HIS52D, HIS59C, HIS95D, ILE136D, ILE51C, ILE57D, ILE96D, LEU117D, LEU124C, LEU125D, LEU132D, LEU135D, LEU138C, LEU141C, LEU170C, LEU175C, LEU178C, LEU178D, LEU180D, LEU45C, LEU50C, LEU90D, LYS105C, LYS117C, LYS129C, LYS129D, LYS143C, LYS166D, LYS171D, LYS204D, LYS209C, LYS214C, LYS41D, LYS43C, LYS44D, LYS57C, MET100C, MET46D, MET89C, PHE118D, PHE122C, PHE139D, PHE166C, PHE29D, PHE48D, PHE86D, PHE91C, PHE97D, PRO119D, PRO120D, PRO123C, PRO126C, PRO164D, PRO167C, PRO39D, PRO41C, PRO43D, PRO54D, SER114D, SER120C, SER121D, SER122D, SER127C, SER128C, SER130C, SER132C, SER137D, SER165D, SER168D, SER172C, SER173C, SER175D, SER176D, SER177C, SER179C, SER179D, SER180C, SER31D, SER33D, SER38D, SER55D, SER60C, SER62C, SER88D, SER89D, SER94D, THR101D, THR116D, THR131C, THR131D, THR161D, THR162D, THR163D, THR165C, THR183C, THR209D, THR91D, TRP103C, TRP34D, TRP36C, TRP47C, TYR100C, TYR172D, TYR177D, TYR35D, TYR58C, TYR85D, VAL102C, VAL115D, VAL121C, VAL133D, VAL142C, VAL159D, VAL163C, VAL169C, VAL181C, VAL182C, VAL206D, VAL211C, VAL32D, VAL37C, VAL45D, VAL47D, VAL48C, VAL50D
• C-F: ARG53F, ARG60F, ASN59F, ILE100C, PHE61F, PRO99C, SER58F, SER75F, TYR100C
• D-E: ARG53D, ARG60D, ASN59D, GLY76D, ILE100E, PRO99E, SER58D, SER75D, TYR100E
• D-F: ARG53D, ARG53F, ASN59D, ASP30D, ASP30F, ASP49D, ASP49F, GLY63D, GLY63F, HIS52D, HIS52F, LYS65D, LYS65F, PHE48D, PHE48F, PHE61D, PHE61F, SER51D, SER51F, SER62D, SER62F, SER64D, SER64F, VAL47D, VAL47F, VAL50D, VAL50F
• E-F: ALA125E, ALA127F, ALA130F, ALA136E, ALA137E, ALA168E, ALA173F, ALA174F, ALA3F, ALA42F, ALA49E, ALA93E, ALA96E, ARG210E, ARG38E, ARG53F, ARG56E, ARG93F, ARG94E, ARG95F, ASN100E, ASN169F, ASP101E, ASP138F, ASP144E, ASP30F, ASP49F, ASP61E, ASP84F, CYS134F, CYS140E, CYS87F, CYS92E, GLN126F, GLN167F, GLN171E, GLN36F, GLN37F, GLN39E, GLU123F, GLU124F, GLU160F, GLU212E, GLU46E, GLU6E, GLU85E, GLU95E, GLY100F, GLY104E, GLY106E, GLY139E, GLY158F, GLY174E, GLY33E, GLY40F, GLY42E, GLY44E, GLY98F, GLY99F, HIS100E, HIS164E, HIS35E, HIS52F, HIS59E, HIS95F, ILE136F, ILE96F, LEU117F, LEU124E, LEU125F, LEU132F, LEU135F, LEU138E, LEU141E, LEU170E, LEU175E, LEU178E, LEU178F, LEU180F, LEU45E, LEU50E, LEU90F, LYS105E, LYS129F, LYS143E, LYS166F, LYS171F, LYS209E, LYS41F, LYS43E, LYS44F, LYS57E, MET100E, MET46F, MET63E, MET89E, PHE118F, PHE122E, PHE139F, PHE166E, PHE29F, PHE48F, PHE86F, PHE91E, PHE97F, PRO119F, PRO120F, PRO123E, PRO126E, PRO164F, PRO167E, PRO39F, PRO41E, PRO43F, PRO54F, SER114F, SER120E, SER121F, SER122F, SER127E, SER137F, SER165F, SER168F, SER172E, SER173E, SER175F, SER176F, SER177E, SER179E, SER179F, SER180E, SER31F, SER33F, SER55F, SER60E, SER62E, SER88F, SER89F, SER94F, THR101F, THR116F, THR131F, THR161F, THR162F, THR163F, THR165E, THR183E, THR91F, TRP103E, TRP34F, TRP36E, TRP47E, TYR100E, TYR172F, TYR177F, TYR35F, TYR58E, TYR85F, VAL102E, VAL115F, VAL121E, VAL133F, VAL142E, VAL159F, VAL169E, VAL181E, VAL182E, VAL206F, VAL211E, VAL32F, VAL37E, VAL45F, VAL47F, VAL48E, VAL50F