3MNV

crystal structure of the non-neutralizing hiv antibody 13h11 fab fragment

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 176
  • Norm. En. per Res.: -2.6744
• 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	-11.4401	-7.1912	-387.625	-406.2563	175	10	8	15568	2	22	17
A-D	0.0	9.2843	-48.3938	-39.1095	39	3	0	2288	0	6	5
B-C	0.0	11.2784	-72.3984	-61.12	56	4	0	3492	0	11	10
B-D	-22.6407	-21.8273	-133.188	-177.656	75	10	3	5264	1	3	0
C-D	-37.6556	-12.677	-420.368	-470.7007	176	10	10	16034	2	20	17

Interface residues

• A-B: ALA125B, ALA130A, ALA138B, ALA139B, ALA176B, ALA34A, ALA60B, ALA93B, ARG-1A, ARG142A, ARG30A, ASN137A, ASN138A, ASN158A, ASN93A, ASP122A, ASP146B, ASP167A, ASP170A, ASP1A, ASP61B, ASP62B, ASP85A, CYS134A, CYS142B, CYS88A, GLN124A, GLN160A, GLN166A, GLN179B, GLN37A, GLN38A, GLN39B, GLN42A, GLN90A, GLU123A, GLU161A, GLU165A, GLU213A, GLU55A, GLY100A, GLY101A, GLY104B, GLY106B, GLY141B, GLY157A, GLY169B, GLY41A, GLY42B, GLY44B, GLY49B, GLY95B, GLY99A, HIS102B, HIS172B, HIS35B, HIS91A, ILE117A, ILE53A, LEU101B, LEU105B, LEU124B, LEU125A, LEU135A, LEU136A, LEU140B, LEU143B, LEU175A, LEU178B, LEU179A, LEU181A, LEU184B, LEU187B, LEU33A, LEU45B, LEU46A, LEU89A, LEU94B, LYS103A, LYS126A, LYS145B, LYS169A, LYS221B, LYS226B, LYS38B, LYS39A, LYS43B, LYS45A, LYS46B, LYS64B, MET48B, PHE116A, PHE118A, PHE122B, PHE139A, PHE174B, PHE50A, PHE63B, PHE87A, PHE91B, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO175B, PRO40A, PRO41B, PRO44A, PRO57B, PRO95A, SER114A, SER120B, SER121A, SER127A, SER131A, SER159A, SER162A, SER168A, SER168B, SER174A, SER176A, SER177A, SER180B, SER182B, SER186B, SER188B, SER189B, SER195B, SER33B, SER43A, SER56A, THR129A, THR137B, THR164A, THR167B, THR172A, THR173B, THR178A, THR180A, THR192B, THR58B, THR89B, THR94A, THR97A, TRP103B, TRP35A, TRP36B, TRP47B, TRP50B, TRP96A, TRP96B, TYR173A, TYR185B, TYR32A, TYR36A, TYR49A, TYR59B, TYR86A, VAL115A, VAL121B, VAL132A, VAL133A, VAL144B, VAL163A, VAL171B, VAL177B, VAL190B, VAL191B, VAL193B, VAL219B, VAL223B, VAL37B, VAL40B, VAL48A
• A-D: ALA75D, ARG54A, ARG61A, ASP31D, ASP60A, GLN1D, GLN3D, GLN42A, GLU53D, GLU55A, GLU72D, GLU81A, GLY26D, GLY41A, GLY57A, ILE2D, LEU46A, LEU47A, LEU71D, LYS39A, LYS45A, PHE29D, PHE62A, PRO44A, PRO59A, SER25D, SER43A, SER56A, SER73D, SER74D, SER76D, THR28D, THR30D, THR52D, THR54D, THR77D, TYR27D, TYR36A, VAL58A
• B-C: ALA24B, ALA75B, ALA78B, ARG30C, ARG54C, ARG61C, ASN216B, ASN30C, ASN93C, ASP220B, ASP60C, CYS22B, GLN3B, GLN6B, GLU30C, GLU55C, GLU72B, GLU81C, GLY26B, GLY57C, GLY8B, HIS91C, ILE53C, LEU0B, LEU46C, LEU4B, LYS169C, LYS213B, LYS218B, LYS23B, LYS39C, LYS45C, PHE29B, PHE50C, PRO214B, PRO59C, PRO9B, SER21B, SER25B, SER30C, SER52C, SER56C, SER73B, SER74B, SER76B, SER7B, THR28B, THR77B, THR94C, TRP96C, TYR27B, TYR32C, TYR49C, TYR92C, VAL58C, VAL5B
• B-D: ALA165B, ALA165D, ARG222B, ARG222D, ASN162B, ASN162D, ASN209B, ASN209D, ASN52D, ASP220B, ASP31D, GLN1B, GLN1D, GLN203B, GLN203D, GLN3B, GLN6B, GLU53D, GLU56D, GLY104B, GLY106B, GLY164B, GLY164D, GLY199B, GLY26D, GLY55D, GLY95D, HIS102B, HIS102D, HIS35D, ILE207B, ILE207D, ILE2B, ILE2D, ILE51D, LEU0B, LEU101B, LEU101D, LEU105B, LEU166B, LEU166D, LEU4B, LEU71D, LEU94D, LYS23B, PHE29D, PRO194D, PRO9B, SER156D, SER163B, SER163D, SER168D, SER25B, SER33D, THR167D, THR200B, THR200D, THR205B, THR205D, THR28D, THR30D, THR52D, THR54D, THR58D, TRP103B, TRP157B, TRP157D, TRP50D, TRP96D, TYR206B, TYR206D, TYR27D, TYR32D, VAL34D, VAL5B
• C-D: ALA125D, ALA130C, ALA138D, ALA139D, ALA176D, ALA34C, ALA60D, ALA93D, ARG-1C, ARG142C, ARG30C, ASN137C, ASN138C, ASN93C, ASP122C, ASP146D, ASP167C, ASP170C, ASP1C, ASP61D, ASP62D, ASP85C, CYS134C, CYS142D, CYS88C, CYS92D, GLN124C, GLN160C, GLN166C, GLN179D, GLN1D, GLN38C, GLN39D, GLN42C, GLN6D, GLN90C, GLU123C, GLU161C, GLU165C, GLU55C, GLY100C, GLY101C, GLY104D, GLY106D, GLY141D, GLY157C, GLY169D, GLY183D, GLY41C, GLY42D, GLY44D, GLY49D, GLY95D, GLY99C, HIS102D, HIS172D, HIS35D, HIS91C, ILE117C, ILE2D, ILE53C, LEU0C, LEU101D, LEU105D, LEU124D, LEU125C, LEU135C, LEU136C, LEU140D, LEU143D, LEU175C, LEU178D, LEU179C, LEU181C, LEU184D, LEU187D, LEU33C, LEU45D, LEU46C, LEU47C, LEU89C, LEU94D, LYS103C, LYS126C, LYS145D, LYS169C, LYS207C, LYS221D, LYS226D, LYS38D, LYS43D, LYS45C, LYS46D, MET48D, PHE116C, PHE118C, PHE122D, PHE139C, PHE174D, PHE209C, PHE50C, PHE63D, PHE87C, PHE91D, PHE98C, PRO119C, PRO120C, PRO123D, PRO126D, PRO175D, PRO40C, PRO44C, PRO95C, SER114C, SER120D, SER121C, SER127C, SER127D, SER131C, SER162C, SER168C, SER168D, SER174C, SER176C, SER177C, SER180D, SER182D, SER186D, SER188D, SER189D, SER195D, SER33D, SER43C, SER56C, THR129C, THR137D, THR164C, THR167D, THR172C, THR173D, THR178C, THR180C, THR192D, THR58D, THR89D, THR94C, THR97C, TRP103D, TRP35C, TRP36D, TRP47D, TRP50D, TRP96C, TRP96D, TYR173C, TYR185D, TYR32C, TYR36C, TYR49C, TYR59D, TYR92C, VAL115C, VAL121D, VAL132C, VAL133C, VAL144D, VAL163C, VAL171D, VAL177D, VAL190D, VAL191D, VAL193D, VAL219D, VAL223D, VAL37D, VAL48C