3MNZ

crystal structure of the non-neutralizing hiv antibody 13h11 fab fragment with a gp41 mper-derived peptide bearing ala substitutions in a helical conformation

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: P-B
  • Int. Res.: 38
  • Norm. En. per Res.: -3.6523
• Hub Node: P(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
P-A	-9.1365	4.7621	-59.8764	-64.2509	30	2	0	2531	1	7	7
P-B	-8.7544	0.0	-130.034	-138.7884	38	8	3	4166	0	1	2
A-B	-35.6971	1.1688	-406.201	-440.7292	169	5	10	15507	0	16	14

Interface residues

• P-A: ALA657P, ALA667P, ARG30A, ARG54A, ASN30A, ASN656P, ASP664P, GLN658P, GLU30A, GLU55A, GLU659P, GLU662P, HIS91A, ILE53A, LEU46A, LEU660P, LEU661P, LEU663P, LEU669P, LYS665P, PHE50A, SER56A, SER668P, TRP666P, TRP670P, TRP96A, TYR32A, TYR36A, TYR49A, TYR92A
• P-B: ALA667P, ALA93B, ASN52B, ASN671P, ASP31B, ASP664P, GLN1B, GLU53B, GLU56B, GLU662P, GLY26B, GLY55B, GLY95B, HIS102B, HIS35B, ILE2B, ILE51B, LEU101B, LEU661P, LEU663P, LEU669P, LEU71B, LEU94B, LYS665P, PHE29B, SER33B, SER668P, THR28B, THR30B, THR52B, THR54B, TRP50B, TRP666P, TRP670P, TRP96B, TYR27B, TYR32B, VAL34B
• A-B: ALA125B, ALA130A, ALA138B, ALA139B, ALA176B, ALA34A, ALA60B, ALA93B, ARG222B, ASN137A, ASN138A, ASN158A, ASN93A, ASP122A, ASP146B, ASP167A, ASP170A, ASP1A, ASP61B, ASP62B, ASP85A, CYS134A, CYS142B, CYS88A, CYS92B, GLN124A, GLN160A, GLN166A, GLN179B, GLN1B, GLN38A, GLN39B, GLN42A, GLN6B, GLN90A, GLU123A, GLU161A, GLU165A, GLU55A, GLY100A, GLY101A, GLY104B, GLY106B, GLY135B, GLY136B, GLY141B, GLY169B, GLY41A, GLY44B, GLY49B, GLY95B, GLY99A, HIS102B, HIS172B, HIS35B, HIS91A, ILE117A, ILE2B, ILE53A, LEU101B, LEU105B, LEU124B, LEU125A, LEU135A, LEU136A, LEU140B, LEU143B, LEU175A, LEU178B, LEU179A, LEU181A, LEU187B, LEU33A, LEU45B, LEU46A, LEU47A, LEU89A, LEU94B, LYS103A, LYS126A, LYS145B, LYS169A, LYS207A, LYS221B, LYS38B, LYS39A, LYS45A, LYS46B, MET48B, PHE116A, PHE118A, PHE122B, PHE139A, PHE174B, PHE50A, PHE63B, PHE87A, PHE91B, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO175B, PRO40A, PRO41B, PRO44A, PRO95A, SER114A, SER120B, SER121A, SER127A, SER131A, SER162A, SER168A, SER168B, SER174A, SER176A, SER177A, SER180B, SER182B, SER186B, SER188B, SER189B, SER195B, SER33B, SER43A, SER56A, THR108B, THR129A, THR137B, THR164A, THR167B, THR172A, THR173B, THR178A, THR180A, THR192B, THR58B, THR89B, THR94A, THR97A, TRP103B, TRP35A, TRP36B, TRP47B, TRP50B, TRP96A, TRP96B, TYR173A, TYR32A, TYR36A, TYR49A, TYR59B, TYR92A, VAL115A, VAL121B, VAL132A, VAL133A, VAL144B, VAL163A, VAL171B, VAL177B, VAL190B, VAL191B, VAL193B, VAL223B, VAL37B, VAL48A