2A6D

crystal structure analysis of the anti-arsonate germline antibody 36-65 in complex with a phage display derived dodecapeptide rlliadppspre

• Total interactions analyzed: 10
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-P
  • Int. Res.: 25
  • Norm. En. per Res.: -4.179
• 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
L-H	-46.2614	-12.8962	-474.144	-533.3016	195	31	13	19120	0	19	16
A-B	-24.9612	5.6037	-494.265	-513.6224	192	15	12	19302	0	19	16
A-P	0.0	-46.0766	-58.3972	-104.4738	25	24	0	2652	2	3	2
B-P	0.0	0.0	-23.726	-23.726	22	2	0	899	0	2	0

Interface residues

• L-H: ALA130L, ALA133H, ALA176H, ALA97H, ARG196H, ARG211L, ARG221H, ARG53L, ARG96L, ARG98H, ASN137L, ASN138L, ASN141H, ASN161L, ASN210L, ASN31L, ASN34L, ASN35H, ASN61H, ASN92L, ASP109H, ASP165L, ASP167L, ASP170L, ASP1L, ASP222H, ASP41L, CYS134L, CYS148H, CYS214L, CYS88L, GLN113H, GLN124L, GLN166L, GLN179H, GLN37L, GLN38L, GLN39H, GLN3H, GLN43H, GLN6L, GLN89L, GLN90L, GLU123L, GLU213L, GLU46H, GLU62H, GLY100L, GLY101L, GLY103H, GLY104H, GLY112H, GLY114H, GLY128L, GLY129L, GLY135H, GLY147H, GLY170H, GLY42H, GLY42L, GLY44H, GLY49H, GLY57L, GLY91L, GLY99L, HIS172H, HIS55L, ILE117L, ILE218H, ILE29L, ILE48H, ILE48L, LEU125L, LEU132H, LEU136L, LEU146H, LEU149H, LEU160L, LEU178H, LEU181L, LEU182H, LEU185H, LEU33L, LEU45H, LEU46L, LEU47L, LEU54L, LEU94L, LYS103L, LYS151H, LYS169L, LYS207L, LYS216H, LYS217H, LYS38H, LYS45L, LYS59H, LYS63H, MET143H, MET175L, PHE108H, PHE118L, PHE135L, PHE139L, PHE174H, PHE209L, PHE64H, PHE87L, PHE95H, PHE98L, PRO119L, PRO120L, PRO131H, PRO134H, PRO175H, PRO95L, SER105H, SER116L, SER121L, SER122L, SER127L, SER128H, SER131L, SER136H, SER162L, SER168L, SER169H, SER174L, SER176L, SER177L, SER180H, SER186H, SER187H, SER188H, SER208L, SER30L, SER52L, SER56L, SER99H, SER9L, THR102L, THR114L, THR126L, THR145H, THR164L, THR172L, THR173H, THR178L, THR180L, THR184H, THR190H, THR43L, THR51L, THR85L, THR93L, THR97L, TRP111H, TRP162H, TRP163L, TRP35L, TRP36H, TRP47H, TYR101H, TYR102H, TYR106H, TYR107H, TYR110H, TYR130H, TYR173L, TYR183H, TYR186L, TYR32L, TYR36L, TYR49L, TYR50H, TYR50L, TYR57H, TYR60H, TYR86L, VAL100H, VAL115L, VAL129H, VAL132L, VAL133L, VAL144H, VAL150H, VAL159L, VAL171H, VAL177H, VAL189H, VAL214H, VAL219H, VAL37H, VAL44L, VAL93H
• A-B: ALA130A, ALA133B, ALA176B, ALA97B, ARG196B, ARG211A, ARG221B, ARG53A, ARG96A, ARG98B, ASN137A, ASN138A, ASN141B, ASN161A, ASN210A, ASN31A, ASN34A, ASN35B, ASN61B, ASN92A, ASP109B, ASP165A, ASP167A, ASP170A, ASP181B, ASP1A, ASP222B, ASP41A, CYS134A, CYS148B, CYS214A, CYS88A, CYS96B, GLN113B, GLN124A, GLN179B, GLN37A, GLN38A, GLN39B, GLN43B, GLN6A, GLN89A, GLN90A, GLU123A, GLU213A, GLU46B, GLU62B, GLY100A, GLY101A, GLY103B, GLY104B, GLY112B, GLY114B, GLY128A, GLY129A, GLY135B, GLY147B, GLY170B, GLY42A, GLY42B, GLY44B, GLY49B, GLY91A, GLY99A, HIS172B, HIS55A, ILE117A, ILE218B, ILE29A, ILE48A, ILE48B, LEU125A, LEU132B, LEU136A, LEU146B, LEU149B, LEU160A, LEU178B, LEU181A, LEU182B, LEU185B, LEU33A, LEU45B, LEU46A, LEU47A, LEU54A, LEU94A, LYS103A, LYS151B, LYS169A, LYS207A, LYS216B, LYS217B, LYS38B, LYS39A, LYS45A, LYS59B, LYS63B, MET143B, MET175A, PHE108B, PHE118A, PHE135A, PHE139A, PHE174B, PHE209A, PHE64B, PHE87A, PHE95B, PHE98A, PRO119A, PRO120A, PRO131B, PRO134B, PRO175B, PRO95A, SER105B, SER116A, SER121A, SER122A, SER127A, SER128B, SER131A, SER136B, SER162A, SER169B, SER174A, SER176A, SER177A, SER180B, SER186B, SER187B, SER188B, SER208A, SER30A, SER56A, SER99B, SER9A, THR102A, THR114A, THR126A, THR145B, THR164A, THR172A, THR173B, THR178A, THR180A, THR184B, THR190B, THR43A, THR51A, THR85A, THR93A, THR97A, TRP111B, TRP162B, TRP163A, TRP35A, TRP36B, TRP47B, TYR101B, TYR102B, TYR106B, TYR107B, TYR110B, TYR130B, TYR173A, TYR183B, TYR186A, TYR32A, TYR36A, TYR49A, TYR50A, TYR50B, TYR57B, TYR60B, TYR86A, VAL100B, VAL115A, VAL129B, VAL132A, VAL133A, VAL144B, VAL150B, VAL159A, VAL171B, VAL177B, VAL189B, VAL219B, VAL37B, VAL44A, VAL93B
• A-P: ALA5P, ARG11P, ARG96A, ASN31A, ASN92A, ASP1A, ASP28A, ASP6P, GLN27A, GLN90A, GLY68A, GLY91A, ILE29A, ILE2A, ILE4P, LEU2P, LEU94A, PRO10P, PRO7P, PRO8P, PRO95A, SER30A, SER9P, THR93A, TYR32A
• B-P: ALA5P, ASN35B, ASN52B, ASN55B, ASP6P, GLY104B, GLY33B, ILE4P, ILE51B, LYS59B, PHE108B, PRO10P, PRO7P, PRO8P, SER105B, SER99B, SER9P, TRP47B, TYR101B, TYR106B, TYR50B, TYR57B