2BMK

fab fragment of plp-dependent catalytic antibody 15a9 in complex with phosphopyridoxyl-d-alanine

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 187
  • Norm. En. per Res.: -2.7635
• 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	-21.9493	-27.5768	-467.253	-516.7791	187	16	12	18083	1	18	14
B-H	-9.1962	-18.4554	-103.296	-130.9476	80	27	0	5010	2	6	12
H-L	-20.5416	-21.1623	-467.045	-508.7489	191	19	12	18627	0	17	14

Interface residues

• A-B: ALA100B, ALA101B, ALA125B, ALA130A, ALA168B, ALA44B, ALA55A, ALA57A, ALA61B, ARG188B, ARG213B, ARG38B, ARG52B, ARG91A, ASN100B, ASN137A, ASN138A, ASN161A, ASN210A, ASN212A, ASN53A, ASP165A, ASP167A, ASP170A, ASP1A, ASP95B, CYS134A, CYS140B, CYS214A, CYS88A, CYS92B, GLN105B, GLN124A, GLN166A, GLN171B, GLN37A, GLN38A, GLN39B, GLN6A, GLN89A, GLN90A, GLU100B, GLU123A, GLU46B, GLU58B, GLU6B, GLY100A, GLY100B, GLY101A, GLY104B, GLY106B, GLY127B, GLY128A, GLY129A, GLY139B, GLY144B, GLY162B, GLY41A, GLY42B, GLY49B, GLY99A, HIS164B, HIS34A, ILE117A, ILE210B, ILE48A, LEU124B, LEU125A, LEU136A, LEU138B, LEU141B, LEU160A, LEU170B, LEU174B, LEU177B, LEU179A, LEU181A, LEU45B, LEU46A, LEU48B, LEU4B, LEU50B, LEU54A, LYS103A, LYS143B, LYS169A, LYS208B, LYS209B, LYS43B, LYS45A, LYS64B, LYS96B, MET135B, MET175A, PHE100B, PHE118A, PHE135A, PHE139A, PHE166B, PHE209A, PHE36A, PHE96A, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO167B, PRO40A, PRO40B, PRO44A, PRO95A, SER116A, SER120B, SER121A, SER122A, SER127A, SER128B, SER131A, SER161B, SER162A, SER168A, SER172B, SER174A, SER176A, SER177A, SER178B, SER179B, SER180B, SER208A, SER35B, SER43A, SER50A, SER56A, SER60B, SER62B, THR102A, THR114A, THR126A, THR137B, THR164A, THR165B, THR172A, THR176B, THR178A, THR180A, THR182B, THR42A, THR56B, THR85A, THR89B, THR93A, THR97A, TRP100B, TRP103B, TRP154B, TRP163A, TRP36B, TRP47A, TRP47B, TYR100B, TYR102B, TYR122B, TYR173A, TYR175B, TYR33B, TYR49A, TYR59B, TYR86A, TYR87A, TYR91B, TYR94A, VAL115A, VAL121B, VAL132A, VAL133A, VAL136B, VAL142B, VAL159A, VAL163B, VAL169B, VAL181B, VAL211B, VAL37B, VAL58A, VAL63B, VAL93B
• B-H: ALA201B, ALA201H, ALA23H, ALA82H, ARG19B, ARG19H, ARG71B, ARG71H, ASN73B, ASN73H, ASN82B, ASN82H, ASP72B, ASP72H, CYS22H, GLN13B, GLN13H, GLN75B, GLN75H, GLN81B, GLN81H, GLY15H, GLY54H, GLY8B, GLY8H, GLY9B, GLY9H, HIS16B, HIS16H, HIS199B, ILE51B, ILE51H, ILE69B, ILE77B, ILE77H, LEU18B, LEU20B, LEU78B, LEU78H, LEU80B, LEU82H, LYS115B, LYS52H, LYS57B, LYS57H, MET82B, PHE29B, PHE29H, PHE67B, PRO118B, PRO14H, PRO200B, PRO200H, SER17B, SER17H, SER202B, SER202H, SER203B, SER203H, SER21B, SER21H, SER70B, SER70H, SER74B, SER74H, SER76B, SER76H, SER7B, SER7H, THR116B, THR116H, THR117B, THR204B, THR30H, THR56H, THR68B, TYR55H, TYR79B, TYR79H, VAL12B
• H-L: ALA100H, ALA101H, ALA125H, ALA130L, ALA168H, ALA44H, ALA55L, ALA61H, ARG188H, ARG211L, ARG213H, ARG38H, ARG52H, ARG91L, ASN100H, ASN133H, ASN137L, ASN138L, ASN161L, ASN210L, ASN212L, ASN53L, ASP165L, ASP167L, ASP170L, ASP1L, ASP95H, CYS134L, CYS140H, CYS214L, CYS88L, CYS92H, GLN105H, GLN124L, GLN166L, GLN171H, GLN37L, GLN38L, GLN39H, GLN6L, GLN89L, GLN90L, GLU100H, GLU123L, GLU213L, GLU46H, GLU58H, GLU6H, GLY100L, GLY101L, GLY104H, GLY106H, GLY127H, GLY128L, GLY129L, GLY139H, GLY144H, GLY158L, GLY162H, GLY41L, GLY42H, GLY49H, GLY99L, HIS164H, HIS34L, ILE117L, ILE210H, ILE48L, ILE51H, LEU124H, LEU125L, LEU136L, LEU138H, LEU141H, LEU160L, LEU170H, LEU174H, LEU177H, LEU179L, LEU181L, LEU45H, LEU46L, LEU48H, LEU50H, LEU54L, LYS143H, LYS169L, LYS207L, LYS208H, LYS209H, LYS39L, LYS43H, LYS45L, LYS57H, LYS64H, LYS96H, MET135H, MET175L, PHE100H, PHE118L, PHE135L, PHE139L, PHE166H, PHE209L, PHE36L, PHE96L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, PRO95L, SER116L, SER120H, SER121L, SER122L, SER127L, SER128H, SER131L, SER160H, SER161H, SER162L, SER168L, SER172H, SER174L, SER176L, SER177L, SER178H, SER179H, SER180H, SER208L, SER35H, SER43L, SER50L, SER56L, SER60H, SER62H, THR102L, THR114L, THR126L, THR137H, THR164L, THR165H, THR172L, THR176H, THR178L, THR180L, THR182H, THR42L, THR85L, THR89H, THR93L, THR97L, TRP100H, TRP103H, TRP154H, TRP163L, TRP36H, TRP47H, TRP47L, TYR100H, TYR102H, TYR122H, TYR173L, TYR175H, TYR186L, TYR32L, TYR33H, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR94L, VAL115L, VAL121H, VAL132L, VAL133L, VAL136H, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL211H, VAL37H, VAL63H, VAL93H