2V7H

crystal structure of an immunogen specific anti- mannopyranoside monoclonal antibody fab fragment

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-H
  • Int. Res.: 198
  • Norm. En. per Res.: -3.1094
• Hub Node: A(1)

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	-23.2003	-54.8785	-463.907	-541.9859	199	38	12	19584	4	26	20
B-H	-8.3728	22.274	-107.115	-93.2138	84	5	0	5606	0	8	7
L-H	-69.4988	-41.0419	-505.114	-615.6547	198	49	15	21348	3	23	19

Interface residues

• A-B: ALA105B, ALA130A, ALA133B, ALA137B, ALA176B, ALA84A, ARG196B, ARG211A, ARG221B, ARG65B, ARG96A, ARG98B, ARG99B, ASN137A, ASN138A, ASN161A, ASN210A, ASN30A, ASN31A, ASN34A, ASN59B, ASN61B, ASN92A, ASP107B, ASP109B, ASP165A, ASP167A, ASP170A, ASP1A, ASP1A5, ASP222B, ASP35B, ASP41A, CB8.0557120.13056, CB8.97330-12.48510, CYS134A, CYS148B, CYS214A, CYS88A, GLN113B, GLN124A, GLN166A, GLN179B, GLN1B, GLN37A, GLN38A, GLN39B, GLN6A, GLN89A, GLN90A, GLU123A, GLU213A, GLU46B, GLU50B, GLU62B, GLY100A, GLY100B, GLY101A, GLY112B, GLY114B, GLY129A, GLY135B, GLY147B, GLY152B, GLY158A, GLY170B, GLY42A, GLY42B, GLY44B, GLY49B, GLY57A, GLY91A, GLY99A, HIS172B, HIS43B, HIS55A, ILE117A, ILE218B, ILE34B, ILE37B, ILE46A, ILE48A, ILE48B, LEU125A, LEU132B, LEU136A, LEU146B, LEU149B, LEU160A, LEU178B, LEU179A, LEU181A, LEU182B, LEU185B, LEU33A, LEU45B, LEU47A, LEU54A, LEU94A, LYS103A, LYS151B, LYS169A, LYS207A, LYS216B, LYS217B, LYS38B, LYS39A, LYS45A, LYS63B, MET143B, MET175A, PHE108B, PHE118A, PHE135A, PHE139A, PHE174B, PHE209A, PHE64B, PHE87A, PHE98A, PRO119A, PRO120A, PRO131B, PRO134B, PRO175B, PRO40A, PRO95A, SER116A, SER121A, SER122A, SER127A, SER128B, SER131A, SER136B, SER162A, SER168A, SER169B, SER174A, SER176A, SER177A, SER180B, SER186B, SER187B, SER188B, SER208A, SER56A, SER9A, THR102A, THR114A, THR126A, THR145B, THR164A, THR172A, THR173B, THR178A, THR180A, THR184B, THR190B, THR43A, THR51A, THR58B, THR85A, THR93A, THR97A, THR97B, TRP102B, TRP111B, TRP162B, TRP163A, TRP33B, TRP35A, TRP36B, TRP47B, TYR106B, TYR110B, TYR130B, TYR173A, TYR183B, TYR186A, TYR32A, TYR36A, TYR49A, TYR50A, TYR60B, TYR86A, TYR95B, VAL115A, VAL129B, VAL132A, VAL133A, VAL144B, VAL150B, VAL159A, VAL171B, VAL177B, VAL189B, VAL219B, VAL44A, VAL93B
• B-H: ALA16B, ALA209B, ALA209H, ALA72B, ALA72H, ALA79H, ALA9B, ALA9H, ASN31H, ASN77H, ASP73B, ASP73H, CYS22H, GLN113H, GLN5B, GLN5H, GLN6B, GLN6H, GLN82B, GLN82H, GLU10B, GLU10H, GLU156B, GLY54B, GLY54H, GLY56B, GLY8B, GLY8H, HIS207B, ILE20B, ILE20H, LEU117B, LEU11B, LEU11H, LEU83B, LEU86B, LYS13B, LYS19B, LYS19H, LYS23B, LYS23H, MET12B, MET12H, PHE29H, PRO155B, PRO157B, PRO208B, PRO208H, PRO53H, SER17B, SER17H, SER210B, SER211B, SER211H, SER21B, SER21H, SER30H, SER55B, SER55H, SER57B, SER75B, SER75H, SER76B, SER76H, SER7B, SER7H, SER84B, THR115B, THR115H, THR116B, THR124B, THR212B, THR25H, THR28H, THR71B, THR71H, THR74B, THR74H, THR78B, THR78H, TYR80B, TYR80H, VAL18B, VAL18H
• L-H: ALA105H, ALA130L, ALA133H, ALA137H, ALA138H, ALA176H, ARG196H, ARG211L, ARG221H, ARG40H, ARG96L, ARG98H, ARG99H, ASN137L, ASN138L, ASN141H, ASN161L, ASN210L, ASN212L, ASN31L, ASN34L, ASN53L, ASN59H, ASN61H, ASN92L, ASP107H, ASP109H, ASP165L, ASP167L, ASP170L, ASP1L, ASP222H, ASP35H, ASP41L, CYS134L, CYS148H, CYS194L, CYS214L, CYS88L, GLN113H, GLN124L, GLN139H, GLN166L, GLN179H, GLN37L, GLN38L, GLN39H, GLN6L, GLN89L, GLN90L, GLU123L, GLU213L, GLU46H, GLU50H, GLU62H, GLY100H, GLY100L, GLY101L, GLY112H, GLY114H, GLY128L, GLY129L, GLY135H, GLY147H, GLY158L, GLY170H, GLY42L, GLY44H, GLY49H, GLY91L, GLY99L, HIS172H, HIS43H, ILE117L, ILE205L, ILE218H, ILE37H, ILE46L, ILE48H, ILE48L, LEU125L, LEU132H, LEU136L, LEU146H, LEU149H, LEU160L, LEU178H, LEU179L, LEU181L, LEU182H, LEU185H, LEU33L, LEU45H, LEU47L, LEU54L, LEU94L, LYS151H, LYS169L, LYS207L, LYS216H, LYS217H, LYS38H, LYS39L, LYS45L, LYS63H, MET143H, MET175L, PHE108H, PHE118L, PHE135L, PHE139L, PHE174H, PHE209L, PHE87L, PHE98L, PRO119L, PRO120L, PRO131H, PRO134H, PRO175H, PRO95L, SER116L, SER121L, SER122L, SER127L, SER128H, SER131L, SER136H, SER162L, SER168H, SER168L, SER169H, SER174L, SER176L, SER177L, SER180H, SER186H, SER187H, SER188H, SER191L, SER208L, SER52L, SER56L, THR114L, THR115H, THR126L, THR140H, THR145H, THR164L, THR172L, THR173H, THR178L, THR180L, THR184H, THR190H, THR43L, THR51L, THR58H, THR85L, THR93L, THR97H, THR97L, TRP102H, TRP111H, TRP162H, TRP163L, TRP33H, TRP35L, TRP36H, TRP47H, TYR101H, TYR106H, TYR110H, TYR130H, TYR173L, TYR183H, TYR186L, TYR192L, TYR32L, TYR36L, TYR49L, TYR50L, TYR60H, TYR86L, TYR95H, VAL115L, VAL129H, VAL132L, VAL133L, VAL144H, VAL150H, VAL159L, VAL171H, VAL177H, VAL189H, VAL219H, VAL44L, VAL93H