3QEH

crystal structure of human n12-i15, an adcc and non-neutralizing anti- hiv-1 env antibody

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 161
  • Norm. En. per Res.: -2.7707
• Hub Node: A(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
A-B	-33.309	-0.5078	-443.01	-476.8268	182	16	11	17470	2	29	18
A-C	-13.2559	0.0	-101.669	-114.9249	69	7	1	4151	0	0	1
A-G	0.0	0.0	-7.2613	-7.2613	13	0	0	568	0	0	0
A-H	-7.6184	0.0	-22.7038	-30.3222	17	1	0	905	0	0	1
C-D	-34.8791	11.5536	-426.816	-450.1414	179	10	11	16864	2	26	19
C-H	0.0	0.0	-0.6545	-0.6545	12	0	0	149	0	1	0
D-H	0.0	0.0	-2.8362	-2.8362	13	0	0	225	0	5	4
E-F	-45.2839	13.9054	-441.941	-473.3195	182	14	11	17619	2	29	19
F-H	0.0	0.0	-1.7629	-1.7629	17	0	0	212	0	2	0
G-H	-31.0667	-6.6379	-408.386	-446.0906	161	13	10	16149	2	16	12

Interface residues

• A-B: ALA125A, ALA129B, ALA136A, ALA137A, ALA168A, ALA55B, ALA60A, ALA91B, ALA93A, ARG141B, ARG210A, ARG38A, ARG54B, ARG94A, ASN100A, ASN136B, ASN137B, ASN157B, ASN28B, ASN53B, ASP100A, ASP121B, ASP144A, ASP166B, ASP169B, ASP1B, ASP208A, ASP34B, ASP95A, CYS133B, CYS140A, CYS88B, CYS92A, GLN105A, GLN123B, GLN159B, GLN165B, GLN171A, GLN31B, GLN38B, GLN39A, GLN42B, GLN43A, GLN45B, GLN61A, GLN6A, GLN90B, GLN99B, GLU101A, GLU122B, GLU160B, GLU164B, GLU212A, GLU46A, GLU93B, GLU97A, GLY100A, GLY100B, GLY104A, GLY106A, GLY139A, GLY156B, GLY162A, GLY174A, GLY41B, GLY42A, GLY44A, GLY49A, GLY51B, GLY98B, HIS100A, HIS164A, HIS27B, ILE116B, ILE48B, ILE89A, LEU100A, LEU124A, LEU124B, LEU134B, LEU135B, LEU138A, LEU141A, LEU170A, LEU174B, LEU175A, LEU178A, LEU178B, LEU180B, LEU33B, LEU37B, LEU45A, LEU46B, LEU47B, LEU50B, LEU96A, LYS125B, LYS143A, LYS168B, LYS206A, LYS62A, LYS64A, LYS92B, MET48A, MET89B, PHE102A, PHE115B, PHE117B, PHE122A, PHE138B, PHE166A, PHE30B, PHE59A, PHE63A, PHE97B, PRO118B, PRO119B, PRO123A, PRO126A, PRO167A, PRO44B, PRO95B, SER100A, SER113B, SER120A, SER120B, SER126B, SER130B, SER158B, SER161A, SER161B, SER172A, SER173A, SER173B, SER175B, SER176B, SER177A, SER179A, SER180A, SER186A, SER43B, SER94B, THR107A, THR128B, THR135A, THR163B, THR165A, THR171B, THR177B, THR179B, THR183A, THR56B, THR96B, TRP103A, TRP35B, TRP36A, TRP47A, TYR172B, TYR176A, TYR32B, TYR36B, TYR49B, TYR58A, TYR86B, TYR87B, TYR90A, TYR91A, VAL114B, VAL121A, VAL131B, VAL132B, VAL142A, VAL162B, VAL163A, VAL169A, VAL181A, VAL182A, VAL184A, VAL35A, VAL37A, VAL50A, VAL85B
• A-C: ALA158A, ALA158C, ARG94A, ARG94C, ASN155A, ASN155C, ASN197A, ASN31A, ASN31C, ASP72A, ASP72C, GLN192A, GLN192C, GLN1A, GLN1C, GLN3A, GLN3C, GLN6A, GLY157A, GLY157C, GLY26A, GLY26C, GLY8A, ILE195A, LEU159A, LEU159C, LEU4C, LYS23A, LYS23C, PHE29A, PHE29C, PHE32A, PHE32C, PHE79A, PHE79C, SER156A, SER156C, SER21A, SER21C, SER25A, SER25C, SER74A, SER74C, SER76A, SER76C, SER7A, SER7C, THR160A, THR160C, THR193A, THR193C, THR24A, THR24C, THR28A, THR28C, THR73A, THR73C, THR75A, THR75C, THR77A, THR77C, TRP154A, TRP154C, TYR27A, TYR27C, VAL2A, VAL2C, VAL5A, VAL5C
• A-G: ALA136A, ALA60G, GLN61G, LYS62G, LYS64G, PHE59G, PRO185A, SER186A, SER187A, SER188A, THR135A, TYR58G, VAL184A
• A-H: GLN192A, GLN27H, GLN90H, GLU93H, GLY190A, ILE2H, LEU189A, LYS92H, SER186A, SER187A, SER188A, SER26H, SER94H, THR191A, THR193A, THR96H, VAL3H
• C-D: ALA125C, ALA129D, ALA136C, ALA137C, ALA168C, ALA55D, ALA60C, ALA91D, ALA93C, ARG141D, ARG210C, ARG38C, ARG54D, ARG94C, ASN100C, ASN136D, ASN137D, ASN28D, ASN53D, ASP100C, ASP121D, ASP144C, ASP166D, ASP169D, ASP1D, ASP208C, ASP34D, ASP95C, CYS133D, CYS140C, CYS88D, CYS92C, GLN105C, GLN123D, GLN159D, GLN171C, GLN31D, GLN38D, GLN39C, GLN42D, GLN43C, GLN45D, GLN61C, GLN6C, GLN90D, GLN99D, GLU101C, GLU122D, GLU160D, GLU164D, GLU212C, GLU46C, GLU93D, GLU97C, GLY100C, GLY100D, GLY104C, GLY106C, GLY139C, GLY156D, GLY162C, GLY174C, GLY41D, GLY42C, GLY44C, GLY49C, GLY51D, GLY98D, HIS100C, HIS164C, HIS27D, ILE116D, ILE2D, ILE48D, ILE89C, LEU100C, LEU124C, LEU124D, LEU134D, LEU135D, LEU138C, LEU141C, LEU170C, LEU174D, LEU175C, LEU178C, LEU178D, LEU180D, LEU33D, LEU37D, LEU45C, LEU46D, LEU47D, LEU50D, LEU96C, LYS125D, LYS143C, LYS168D, LYS209C, LYS62C, LYS64C, LYS92D, MET48C, MET89D, PHE102C, PHE115D, PHE117D, PHE122C, PHE138D, PHE166C, PHE30D, PHE59C, PHE97D, PRO118D, PRO119D, PRO123C, PRO126C, PRO167C, PRO44D, PRO95D, SER100C, SER113D, SER120C, SER120D, SER126D, SER130D, SER158D, SER161C, SER161D, SER172C, SER173C, SER173D, SER175D, SER176D, SER177C, SER179C, SER180C, SER186C, SER43D, SER94D, THR128D, THR135C, THR163D, THR165C, THR171D, THR177D, THR179D, THR183C, THR56D, THR96D, TRP103C, TRP35D, TRP36C, TRP47C, TYR172D, TYR176C, TYR32D, TYR36D, TYR49D, TYR58C, TYR86D, TYR87D, TYR91C, VAL114D, VAL121C, VAL131D, VAL132D, VAL162D, VAL163C, VAL169C, VAL181C, VAL182C, VAL184C, VAL211C, VAL35C, VAL37C, VAL50C, VAL58D, VAL85D
• C-H: ARG24H, GLN192C, GLN99H, GLU212C, LEU9H, LYS209C, SER187C, SER188C, SER26H, THR193C, THR5H, VAL3H
• D-H: ARG210D, ASN157H, GLN146H, GLN154H, GLU142H, GLU186D, GLU194H, GLY156H, LYS125D, LYS182D, SER155H, SER158H, THR196H
• E-F: ALA125E, ALA129F, ALA136E, ALA137E, ALA168E, ALA55F, ALA60E, ALA91F, ALA93E, ARG141F, ARG210E, ARG38E, ARG54F, ARG94E, ASN100E, ASN136F, ASN137F, ASN28F, ASN53F, ASP100E, ASP121F, ASP144E, ASP166F, ASP169F, ASP1F, ASP208E, ASP34F, ASP95E, CYS133F, CYS140E, CYS88F, CYS92E, GLN105E, GLN123F, GLN159F, GLN165F, GLN171E, GLN31F, GLN38F, GLN39E, GLN42F, GLN43E, GLN45F, GLN61E, GLN6E, GLN90F, GLN99F, GLU101E, GLU122F, GLU160F, GLU164F, GLU212E, GLU46E, GLU93F, GLU97E, GLY100E, GLY100F, GLY104E, GLY106E, GLY139E, GLY162E, GLY174E, GLY41F, GLY42E, GLY44E, GLY49E, GLY51F, GLY98F, HIS100E, HIS164E, HIS27F, ILE116F, ILE2F, ILE48F, ILE89E, LEU100E, LEU124E, LEU124F, LEU134F, LEU135F, LEU138E, LEU141E, LEU170E, LEU174F, LEU175E, LEU178E, LEU178F, LEU180F, LEU33F, LEU37F, LEU45E, LEU46F, LEU47F, LEU50F, LEU96E, LYS102F, LYS125F, LYS143E, LYS168F, LYS206E, LYS209E, LYS62E, LYS64E, LYS92F, MET48E, MET89F, PHE102E, PHE115F, PHE117F, PHE122E, PHE138F, PHE166E, PHE30F, PHE59E, PHE97F, PRO118F, PRO119F, PRO123E, PRO126E, PRO167E, PRO44F, PRO95F, SER100E, SER113F, SER120E, SER120F, SER126F, SER130F, SER158F, SER161E, SER161F, SER172E, SER173E, SER173F, SER175F, SER176F, SER177E, SER179E, SER180E, SER43F, SER94F, THR128F, THR135E, THR160E, THR163F, THR165E, THR171F, THR177F, THR179F, THR183E, THR56F, THR96F, TRP103E, TRP35F, TRP36E, TRP47E, TYR172F, TYR176E, TYR32F, TYR36F, TYR49F, TYR58E, TYR86F, TYR87F, TYR91E, VAL114F, VAL121E, VAL131F, VAL132F, VAL142E, VAL162F, VAL163E, VAL169E, VAL181E, VAL182E, VAL184E, VAL211E, VAL35E, VAL37E, VAL50E, VAL58F, VAL85F
• F-H: GLN31F, GLN31H, GLU70F, GLU70H, GLY29F, GLY66F, GLY66H, GLY68F, GLY68H, LEU27F, LEU27H, SER67F, SER67H, THR27F, THR27H, THR69F, THR69H
• G-H: ALA125G, ALA136G, ALA137G, ALA168G, ALA55H, ALA60G, ALA91H, ALA93G, ARG141H, ARG38G, ARG54H, ARG94G, ASN100G, ASN136H, ASN137H, ASN157H, ASN28H, ASN53H, ASP100G, ASP121H, ASP166H, ASP169H, ASP34H, ASP95G, CYS133H, CYS140G, CYS88H, CYS92G, GLN105G, GLN123H, GLN159H, GLN165H, GLN171G, GLN31H, GLN38H, GLN39G, GLN42H, GLN43G, GLN45H, GLN61G, GLN6G, GLN90H, GLN99H, GLU101G, GLU122H, GLU160H, GLU164H, GLU46G, GLU93H, GLU97G, GLY100G, GLY100H, GLY104G, GLY106G, GLY139G, GLY162G, GLY41H, GLY42G, GLY44G, GLY49G, GLY51H, GLY98H, HIS100G, HIS164G, HIS27H, ILE116H, ILE48H, ILE89G, LEU100G, LEU124G, LEU124H, LEU134H, LEU135H, LEU138G, LEU141G, LEU170G, LEU174H, LEU175G, LEU178G, LEU178H, LEU33H, LEU37H, LEU45G, LEU46H, LEU47H, LEU50H, LEU96G, LYS143G, LYS62G, LYS64G, LYS92H, MET48G, MET89H, PHE102G, PHE115H, PHE117H, PHE122G, PHE138H, PHE166G, PHE30H, PHE59G, PHE97H, PRO118H, PRO119H, PRO123G, PRO167G, PRO44H, PRO95H, SER100G, SER113H, SER120G, SER126H, SER130H, SER158H, SER161H, SER172G, SER173G, SER173H, SER175H, SER176H, SER177G, SER179G, SER180G, SER43H, SER94H, THR135G, THR163H, THR165G, THR171H, THR177H, THR183G, THR56H, THR96H, TRP103G, TRP35H, TRP36G, TRP47G, TYR172H, TYR176G, TYR32H, TYR36H, TYR49H, TYR58G, TYR86H, TYR87H, TYR91G, VAL114H, VAL121G, VAL131H, VAL132H, VAL162H, VAL163G, VAL169G, VAL181G, VAL182G, VAL184G, VAL35G, VAL37G, VAL50G, VAL58H, VAL85H