1RHH

crystal structure of the broadly hiv-1 neutralizing fab x5 at 1.90 angstrom resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 65
  • Norm. En. per Res.: -2.5388
• 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
A-B	-52.2339	-20.8925	291.466	218.3396	199	26	14	19495	2	20	16
A-C	-8.3979	0.0	-9.3417	-17.7395	8	1	0	313	0	0	0
B-C	-54.4819	9.4795	-120.02	-165.0224	65	12	0	4834	0	7	6
B-D	-4.2611	0.0	-55.9181	-60.1792	31	0	0	1986	0	1	0
C-D	-72.8923	-28.0819	255.247	154.2728	205	26	15	19916	2	22	15

Interface residues

• A-B: ALA125B, ALA129A, ALA136B, ALA137B, ALA168B, ALA34A, ALA43A, ALA51A, ALA55A, ALA60B, ALA93B, ARG100B, ARG141A, ARG168A, ARG38B, ARG45A, ARG94B, ASN136A, ASN137A, ASN209A, ASN35B, ASN58B, ASP100B, ASP101B, ASP121A, ASP144B, ASP166A, ASP169A, ASP95B, CB9.12737-4.26632, CYS133A, CYS140B, CYS213A, CYS216B, CYS88A, CYS92B, GLN100A, GLN105B, GLN123A, GLN159A, GLN165A, GLN171B, GLN37A, GLN38A, GLN39B, GLN3B, GLN42A, GLN61B, GLN7B, GLN89A, GLN90A, GLU122A, GLU160A, GLU164A, GLU1A, GLU1A5, GLU212A, GLU46B, GLY100B, GLY101A, GLY104B, GLY106B, GLY133B, GLY139B, GLY162B, GLY175A, GLY211A, GLY31A, GLY34B, GLY41A, GLY42B, GLY44B, GLY49B, GLY50A, GLY50B, GLY92A, GLY99A, HIS164B, HIS43B, ILE116A, ILE48A, ILE52B, LEU124A, LEU124B, LEU134A, LEU135A, LEU138B, LEU141B, LEU170B, LEU174A, LEU175B, LEU178A, LEU178B, LEU180A, LEU33A, LEU45B, LEU46A, LEU47A, LYS125A, LYS129B, LYS143B, LYS206A, LYS209B, LYS214B, LYS39A, LYS62B, MET48B, PHE100B, PHE102B, PHE115A, PHE117A, PHE122B, PHE138A, PHE166B, PHE208A, PHE63B, PHE96B, PHE98A, PRO118A, PRO119A, PRO123B, PRO126B, PRO167B, PRO41B, PRO44A, PRO95A, PRO98B, SER100B, SER113A, SER120A, SER120B, SER126A, SER127B, SER128B, SER130A, SER130B, SER132B, SER158A, SER161A, SER161B, SER167A, SER172B, SER173A, SER173B, SER176A, SER177B, SER179B, SER180B, SER207A, SER215B, SER29A, SER30A, SER32A, SER94A, THR128A, THR131B, THR135B, THR151B, THR163A, THR165B, THR171A, THR177A, THR179A, THR183B, THR53A, THR56A, THR93A, THR97A, TRP103B, TRP35A, TRP36B, TRP47B, TYR100B, TYR172A, TYR176B, TYR185A, TYR36A, TYR49A, TYR59B, TYR86A, TYR87A, TYR91A, TYR91B, TYR96A, VAL114A, VAL121B, VAL131A, VAL132A, VAL162A, VAL163B, VAL169B, VAL181B, VAL182B, VAL184B, VAL211B, VAL28A, VAL37B, VAL85A, VAL89B
• A-C: GLU1A, LEU200C, PRO95A, SER201C, SER202C, SER94A, THR93A, TYR96A
• B-C: ALA192C, ALA60B, ALA71B, ALA74B, ARG64B, ASN151C, ASN209C, ASN58B, ASP150C, ASP72B, CYS193C, CYS213C, GLN61B, GLN73B, GLU194C, GLU212C, GLU81B, GLY100B, GLY211C, GLY49B, GLY50B, GLY55B, GLY65B, HIS197C, ILE116C, ILE51B, ILE52B, ILE53B, LEU200C, LYS144C, LYS148C, LYS189C, LYS206C, LYS62B, MET48B, PHE115C, PHE208C, PHE30B, PHE54B, PHE63B, PHE69B, PRO203C, PRO52B, SER201C, SER202C, SER207C, SER57B, SER76B, THR196C, THR205C, THR56B, THR68B, THR70B, THR75B, THR77B, THR82B, TRP47B, TYR191C, TYR59B, TYR79B, VAL114C, VAL190C, VAL195C, VAL204C, VAL67B
• B-D: ALA136D, ALA71B, ARG100B, ASP100B, ASP99B, GLN73B, GLU100B, GLY100B, GLY133D, GLY134D, GLY55B, ILE51B, ILE52B, ILE53B, LYS129D, LYS214D, MET32B, PHE54B, PRO52B, SER100B, SER127D, SER128D, SER130D, SER132D, SER186D, SER187D, THR131D, THR135D, THR56B, TRP100B, TYR100B
• C-D: ALA125D, ALA129C, ALA136D, ALA137D, ALA168D, ALA34C, ALA43C, ALA51C, ALA55C, ALA60D, ALA93D, ARG100D, ARG141C, ARG168C, ARG210C, ARG38D, ARG45C, ARG94D, ASN136C, ASN137C, ASN209C, ASN35D, ASN58D, ASP100D, ASP101D, ASP121C, ASP144D, ASP166C, ASP169C, ASP95D, CYS133C, CYS140D, CYS213C, CYS216D, CYS88C, CYS92D, GLN100C, GLN105D, GLN123C, GLN159C, GLN165C, GLN171D, GLN37C, GLN38C, GLN39D, GLN42C, GLN61D, GLN6C, GLN7D, GLN89C, GLN90C, GLU122C, GLU160C, GLU164C, GLU1C, GLU212C, GLU46D, GLY100D, GLY101C, GLY104D, GLY106D, GLY133D, GLY139D, GLY156C, GLY162D, GLY174D, GLY175C, GLY211C, GLY31C, GLY34D, GLY41C, GLY42D, GLY44D, GLY49D, GLY50C, GLY50D, GLY92C, GLY99C, HIS164D, HIS43D, ILE116C, ILE48C, ILE52D, LEU124C, LEU124D, LEU134C, LEU135C, LEU138D, LEU141D, LEU170D, LEU174C, LEU175D, LEU178C, LEU178D, LEU180C, LEU33C, LEU45D, LEU46C, LEU47C, LYS125C, LYS129D, LYS143D, LYS206C, LYS209D, LYS210D, LYS214D, LYS39C, LYS62D, MET48D, PHE100D, PHE102D, PHE115C, PHE117C, PHE122D, PHE138C, PHE166D, PHE208C, PHE63D, PHE96D, PHE98C, PRO112C, PRO118C, PRO119C, PRO123D, PRO126D, PRO167D, PRO40C, PRO44C, PRO95C, PRO98D, SER100D, SER113C, SER120C, SER120D, SER126C, SER127D, SER128D, SER130C, SER130D, SER132D, SER158C, SER161C, SER161D, SER167C, SER172D, SER173C, SER173D, SER176C, SER177D, SER179D, SER180D, SER186D, SER207C, SER215D, SER29C, SER30C, SER32C, SER52C, SER94C, THR128C, THR131D, THR135D, THR163C, THR165D, THR171C, THR177C, THR179C, THR183D, THR53C, THR56C, THR93C, THR97C, TRP103D, TRP35C, TRP36D, TRP47D, TYR100D, TYR172C, TYR176D, TYR191C, TYR36C, TYR49C, TYR59D, TYR86C, TYR87C, TYR91C, TYR91D, TYR96C, VAL114C, VAL121D, VAL131C, VAL132C, VAL142D, VAL162C, VAL163D, VAL169D, VAL181D, VAL182D, VAL184D, VAL190C, VAL211D, VAL28C, VAL37D, VAL85C, VAL89D