3HI1

structure of hiv-1 gp120 (core with v3) in complex with cd4-binding- site antibody f105

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: G-J
  • Int. Res.: 174
  • Norm. En. per Res.: -3.6486
• Hub Node: G(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
G-L	0.0	0.0	-25.8351	-25.8351	34	1	0	1362	0	4	5
G-H	-47.366	-24.4381	-207.818	-279.6221	94	14	4	8706	7	13	10
G-J	-107.3702	-34.946	-492.536	-634.8522	174	42	17	21132	2	15	21
L-H	-6.0244	-30.6696	-453.455	-490.149	199	12	13	19212	2	22	18
J-A	0.0	0.0	-38.6187	-38.6187	32	3	0	1849	0	4	5
J-B	-36.2705	-23.3758	-208.418	-268.0644	89	13	4	8634	7	13	9
A-B	-15.9635	-32.6241	-463.154	-511.7416	200	16	14	19407	2	23	18

Interface residues

• G-L: ALA51L, ARG31L, ARG419G, ASN425G, ASP113G, GLN428G, GLU429G, GLY50L, GLY66L, GLY68L, ILE109G, ILE423G, ILE424G, LEU116G, LYS421G, LYS432G, MET426G, PHE382G, PHE71L, PRO369G, SER27L, SER29L, SER30L, SER52L, SER53L, SER67L, THR56L, THR69L, TRP112G, TRP427G, TYR32L, TYR49L, VAL28L, VAL430G
• G-H: ALA281G, ALA74H, ALA99H, ARG100H, ARG456G, ARG469G, ARG476G, ARG480G, ARG94H, ASN279G, ASN280G, ASN377G, ASN478G, ASN76H, ASP100H, ASP101H, ASP113G, ASP368G, ASP457G, ASP474G, ASP477G, GLN1H, GLN258G, GLN3H, GLN422G, GLU370G, GLU381G, GLU72H, GLY100H, GLY26H, GLY27H, GLY366G, GLY367G, GLY380G, GLY458G, GLY471G, GLY472G, GLY473G, GLY55H, GLY95H, HIS105G, HIS32H, HIS374G, ILE108G, ILE109G, ILE29H, ILE371G, ILE423G, ILE424G, LEU116G, LEU453G, LYS282G, LYS421G, LYS75H, MET426G, MET475G, PHE100H, PHE210G, PHE376G, PHE382G, PHE383G, PRO102H, PRO369G, PRO98H, SER115G, SER256G, SER25H, SER28H, SER30H, SER31H, SER364G, SER365G, SER375G, SER54H, SER56H, THR257G, THR283G, THR373G, THR455G, THR73H, TRP112G, TRP34H, TRP479G, TYR100H, TYR33H, TYR384G, TYR52H, TYR53H, VAL100H, VAL24H, VAL255G, VAL2H, VAL372G, VAL97H
• G-J: ALA204G, ALA204J, ALA219G, ALA219J, ALA221G, ALA221J, ALA224G, ALA224J, ALA433G, ALA433J, ALA436G, ALA436J, ARG252G, ARG252J, ARG440G, ARG440J, ARG444G, ARG444J, ASN229G, ASN229J, ASN425J, ASN448J, ASN98G, ASN98J, ASN99G, ASN99J, ASP107G, ASP107J, CYS119G, CYS119J, CYS205G, CYS205J, CYS218G, CYS218J, CYS247G, CYS247J, GLN103G, GLN103J, GLN114G, GLN114J, GLN203G, GLN203J, GLN246G, GLN246J, GLN428G, GLN428J, GLN442J, GLU102G, GLU102J, GLU106G, GLU106J, GLU211G, GLU211J, GLU482J, GLY222G, GLY222J, GLY250G, GLY250J, GLY379G, GLY379J, GLY431G, GLY431J, GLY441J, HIS105G, HIS105J, HIS216G, HIS216J, HIS249G, HIS249J, ILE108G, ILE108J, ILE201G, ILE201J, ILE213G, ILE213J, ILE215G, ILE215J, ILE225G, ILE225J, ILE251G, ILE251J, ILE439G, ILE439J, ILE443G, ILE443J, ILE491G, ILE491J, LEU111G, LEU111J, LEU116G, LEU116J, LEU122G, LEU122J, LEU226G, LEU226J, LEU483G, LEU483J, LYS117G, LYS117J, LYS121G, LYS121J, LYS207G, LYS207J, LYS227G, LYS227J, LYS432G, LYS432J, LYS485G, LYS485J, LYS487G, LYS487J, LYS490G, LYS490J, MET100G, MET100J, MET104G, MET104J, MET434G, MET434J, PHE210G, PHE210J, PHE223G, PHE223J, PRO118G, PRO118J, PRO206G, PRO206J, PRO212G, PRO212J, PRO214G, PRO214J, PRO220G, PRO220J, PRO437G, PRO437J, PRO438G, PRO438J, SER110G, SER110J, SER115G, SER115J, SER209G, SER209J, SER243G, SER243J, SER264J, THR202G, THR202J, THR244G, THR244J, THR248G, THR248J, TRP427G, TYR217G, TYR217J, TYR435G, TYR435J, TYR486G, TYR486J, VAL101G, VAL101J, VAL120G, VAL120J, VAL200G, VAL200J, VAL208G, VAL208J, VAL245G, VAL245J, VAL430G, VAL488G, VAL488J, VAL489G, VAL489J
• L-H: ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA34L, ALA43L, ALA51L, ALA55L, ALA93H, ARG100H, ARG142L, ARG31L, ARG38H, ARG45L, ARG94H, ASN137L, ASN138L, ASN210L, ASN58H, ASN93L, ASP100H, ASP101H, ASP122L, ASP144H, ASP167L, ASP170L, ASP92L, CYS134L, CYS140H, CYS214L, CYS88L, CYS92H, CYS96L, GLN100L, GLN105H, GLN124L, GLN160L, GLN166L, GLN171H, GLN1H, GLN37L, GLN38L, GLN39H, GLN42L, GLN46H, GLN6L, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU1L, GLU213L, GLU6H, GLY100H, GLY101L, GLY104H, GLY106H, GLY139H, GLY162H, GLY41L, GLY42H, GLY44H, GLY49H, GLY50L, GLY57L, GLY95H, GLY99L, HIS164H, ILE117L, ILE37H, ILE48H, ILE48L, LEU100H, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU179L, LEU181L, LEU33L, LEU45H, LEU46L, LEU47L, LYS126L, LYS129H, LYS143H, LYS169L, LYS207L, LYS209H, LYS210H, LYS214H, LYS39L, LYS43H, LYS64H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE209L, PHE98L, PRO102H, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO44L, PRO61H, PRO96H, PRO98H, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER130H, SER131L, SER132H, SER159L, SER161H, SER162L, SER168L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER186H, SER208L, SER215H, SER30L, SER35H, SER53L, SER60H, SER62H, SER94L, THR129L, THR131H, THR135H, THR160H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR206L, THR56L, THR57H, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TYR100H, TYR173L, TYR176H, TYR32L, TYR33H, TYR36L, TYR49L, TYR50H, TYR59H, TYR86L, TYR87L, TYR90H, TYR91H, TYR91L, VAL100H, VAL115L, VAL121H, VAL132L, VAL133L, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL184H, VAL207H, VAL211H, VAL85L, VAL89H, VAL95L, VAL97H
• J-A: ALA51A, ARG31A, ARG419J, ASN425J, ASP113J, GLN422J, GLN428J, GLU429J, GLY50A, GLY66A, GLY68A, ILE423J, ILE424J, LEU116J, LYS421J, MET426J, PHE382J, PRO369J, SER27A, SER29A, SER30A, SER52A, SER53A, SER67A, THR56A, TRP112J, TRP427J, TYR32A, TYR384J, TYR49A, VAL28A, VAL430J
• J-B: ALA281J, ALA74B, ALA99B, ARG100B, ARG469J, ARG476J, ARG480J, ARG94B, ASN279J, ASN280J, ASN377J, ASN478J, ASN76B, ASP100B, ASP101B, ASP113J, ASP368J, ASP474J, ASP477J, GLN1B, GLN258J, GLN3B, GLN422J, GLU102J, GLU370J, GLU381J, GLY100B, GLY26B, GLY27B, GLY366J, GLY367J, GLY380J, GLY471J, GLY472J, GLY473J, GLY55B, GLY95B, HIS105J, HIS32B, HIS374J, ILE108J, ILE109J, ILE29B, ILE371J, ILE423J, ILE424J, LEU116J, LYS282J, LYS421J, LYS75B, MET426J, MET475J, PHE100B, PHE210J, PHE376J, PHE382J, PHE383J, PRO102B, PRO369J, PRO98B, SER256J, SER25B, SER28B, SER30B, SER31B, SER364J, SER365J, SER375J, SER54B, SER56B, THR257J, THR283J, THR373J, THR455J, THR73B, TRP112J, TRP34B, TRP479J, TYR100B, TYR33B, TYR384J, TYR52B, TYR53B, VAL100B, VAL254J, VAL255J, VAL2B, VAL372J, VAL97B
• A-B: ALA125B, ALA130A, ALA136B, ALA137B, ALA168B, ALA34A, ALA43A, ALA55A, ALA93B, ARG100B, ARG142A, ARG31A, ARG38B, ARG45A, ARG94B, ASN137A, ASN138A, ASN210A, ASN58B, ASN93A, ASP100B, ASP101B, ASP122A, ASP144B, ASP167A, ASP170A, ASP92A, CYS134A, CYS140B, CYS214A, CYS88A, CYS92B, CYS96A, GLN100A, GLN105B, GLN124A, GLN160A, GLN166A, GLN171B, GLN1B, GLN37A, GLN38A, GLN39B, GLN42A, GLN46B, GLN6A, GLN89A, GLN90A, GLU123A, GLU161A, GLU165A, GLU1A, GLU213A, GLU6B, GLY100B, GLY101A, GLY104B, GLY106B, GLY139B, GLY162B, GLY41A, GLY42B, GLY44B, GLY49B, GLY50A, GLY57A, GLY95B, GLY99A, HIS164B, ILE117A, ILE37B, ILE48A, ILE48B, LEU100B, LEU124B, LEU125A, LEU135A, LEU136A, LEU138B, LEU141B, LEU170B, LEU175A, LEU175B, LEU178B, LEU179A, LEU181A, LEU33A, LEU45B, LEU46A, LEU47A, LYS126A, LYS129B, LYS143B, LYS169A, LYS207A, LYS209B, LYS210B, LYS214B, LYS39A, LYS43B, LYS64B, PHE100B, PHE116A, PHE118A, PHE122B, PHE139A, PHE166B, PHE209A, PHE98A, PRO102B, PRO119A, PRO120A, PRO123B, PRO126B, PRO167B, PRO44A, PRO61B, PRO96B, PRO98B, SER114A, SER120B, SER121A, SER127A, SER127B, SER128B, SER130B, SER131A, SER132B, SER159A, SER161B, SER162A, SER168A, SER172B, SER173B, SER174A, SER176A, SER177A, SER177B, SER179B, SER180B, SER186B, SER208A, SER215B, SER29A, SER30A, SER35B, SER53A, SER60B, SER62B, SER94A, THR129A, THR131B, THR135B, THR160B, THR164A, THR165B, THR172A, THR178A, THR180A, THR183B, THR206A, THR56A, THR57B, THR97A, TRP103B, TRP35A, TRP36B, TRP47B, TYR100B, TYR173A, TYR176B, TYR186A, TYR32A, TYR33B, TYR36A, TYR49A, TYR50B, TYR59B, TYR86A, TYR87A, TYR91A, TYR91B, VAL100B, VAL115A, VAL121B, VAL132A, VAL133A, VAL142B, VAL163A, VAL163B, VAL169B, VAL181B, VAL182B, VAL184B, VAL207B, VAL211B, VAL85A, VAL89B, VAL95A, VAL97B