2C1P

fab-fragment of enantioselective antibody complexed with finrozole

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 184
  • Norm. En. per Res.: -2.8047
• 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	-30.5649	-41.8125	-443.687	-516.0644	184	12	8	17156	3	24	16
A-L	-9.336	-3.0138	-20.5915	-32.9414	23	0	0	901	0	4	3
B-L	0.0	-8.9175	-45.3304	-54.2479	57	0	0	3228	0	8	15
H-L	-27.0396	-38.1315	-431.254	-496.4251	182	13	8	16950	3	19	14

Interface residues

• A-B: ALA100A, ALA101B, ALA125B, ALA129B, ALA130A, ALA130B, ALA168B, ALA93B, ARG211A, ARG213B, ARG38B, ARG46A, ARG58B, ARG94B, ASN133B, ASN137A, ASN138A, ASN161A, ASN210A, ASN212A, ASN34A, ASN35B, ASN60B, ASP165A, ASP167A, ASP170A, ASP46B, ASP55A, ASP95B, ASP96B, ASP98B, CB8.00301-8.90972, CYS134A, CYS140B, CYS88A, CYS92B, GLN105B, GLN124A, GLN131B, GLN156A, GLN171B, GLN38A, GLN39B, GLN42A, GLN43B, GLN61B, GLN6B, GLN90A, GLU123A, GLU1A, GLU1A5, GLY101A, GLY104B, GLY106B, GLY127B, GLY128A, GLY129A, GLY139B, GLY144B, GLY158A, GLY162B, GLY41A, GLY42B, GLY44B, GLY49B, GLY91A, GLY99A, GLY99B, HIS164B, ILE117A, ILE210B, ILE48A, ILE48B, ILE85A, LEU124B, LEU125A, LEU136A, LEU138B, LEU141B, LEU160A, LEU170B, LEU174B, LEU177B, LEU179A, LEU181A, LEU36A, LEU37A, LEU37B, LEU45B, LEU47A, LEU50A, LEU59B, LYS143B, LYS169A, LYS207A, LYS208B, LYS209B, LYS30A, LYS45A, LYS62B, MET135B, MET175A, MET50B, PHE102B, PHE118A, PHE135A, PHE139A, PHE166B, PHE209A, PHE63B, PHE94A, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO167B, PRO44A, PRO95A, PRO96A, SER116A, SER120B, SER121A, SER122A, SER127A, SER128B, SER131A, SER161B, SER162A, SER168A, SER172B, SER174A, SER176A, SER177A, SER178B, SER179B, SER180B, SER208A, SER43A, SER56A, THR107B, THR114A, THR126A, THR132B, THR137B, THR164A, THR165B, THR172A, THR176B, THR178A, THR180A, THR182B, THR57B, THR97A, TRP103B, TRP154B, TRP163A, TRP188B, TRP36B, TRP47B, TYR122B, TYR173A, TYR175B, TYR186A, TYR32A, TYR49A, TYR86A, TYR87A, TYR90B, TYR91B, TYR97B, VAL115A, VAL121B, VAL132A, VAL133A, VAL136B, VAL142B, VAL159A, VAL163B, VAL169B, VAL181B, VAL211B, VAL89A, VAL89B
• A-L: ASP70L, CYS23L, GLN124A, GLU123A, GLY128A, GLY129A, GLY66L, ILE21L, LEU125A, LYS183A, LYS24L, LYS74L, PHE71L, PRO8L, SER127A, SER20L, SER22L, SER65L, SER67L, SER7L, THR126A, THR69L, THR72L
• B-L: ALA113B, ALA114B, ALA201B, ARG13B, ARG61L, ARG77L, ASN196B, ASN28L, ASP207B, ASP60L, ASP70L, GLN17L, GLY144B, GLY29L, GLY64L, GLY66L, ILE48L, LEU174B, LEU27L, LEU50L, LEU54L, LYS115B, LYS143B, LYS205B, LYS208B, LYS209B, LYS30L, LYS53L, LYS74L, PHE62L, PHE71L, PRO118B, PRO119B, PRO123B, PRO18L, SER120B, SER202B, SER203B, SER20L, SER27L, SER52L, SER65L, SER67L, SER76L, THR116B, THR117B, THR194B, THR204B, THR31L, THR63L, THR72L, TYR122B, TYR27L, VAL121B, VAL197B, VAL206B, VAL51L
• H-L: ALA100L, ALA101H, ALA125H, ALA129H, ALA130H, ALA130L, ALA168H, ALA93H, ARG211L, ARG213H, ARG38H, ARG46L, ARG58H, ARG94H, ASN133H, ASN137L, ASN138L, ASN157L, ASN161L, ASN210L, ASN34L, ASN35H, ASN60H, ASP165L, ASP167L, ASP170L, ASP207H, ASP46H, ASP55L, ASP58L, ASP95H, ASP96H, ASP98H, CYS134L, CYS140H, CYS88L, CYS92H, GLN105H, GLN124L, GLN131H, GLN171H, GLN38L, GLN39H, GLN42L, GLN43H, GLN61H, GLN6H, GLN90L, GLU123L, GLU213L, GLY101L, GLY104H, GLY106H, GLY127H, GLY128L, GLY129L, GLY139H, GLY158L, GLY162H, GLY41L, GLY42H, GLY44H, GLY49H, GLY91L, GLY99H, GLY99L, HIS164H, ILE117L, ILE210H, ILE48H, ILE48L, ILE85L, LEU124H, LEU125L, LEU136L, LEU138H, LEU141H, LEU160L, LEU170H, LEU174H, LEU177H, LEU179L, LEU181L, LEU36L, LEU37H, LEU37L, LEU45H, LEU47L, LEU50L, LEU59H, LYS143H, LYS169L, LYS207L, LYS208H, LYS30L, LYS45L, LYS53L, LYS62H, MET135H, MET175L, MET50H, PHE102H, PHE118L, PHE135L, PHE139L, PHE166H, PHE209L, PHE63H, PHE94L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO44L, PRO95L, PRO96L, SER116L, SER120H, SER121L, SER122L, SER127L, SER128H, SER131L, SER160H, SER161H, SER162L, SER168L, SER172H, SER174L, SER176L, SER177L, SER178H, SER179H, SER180H, SER208L, SER43L, SER56L, THR107H, THR114L, THR126L, THR137H, THR164L, THR165H, THR172L, THR176H, THR178L, THR180L, THR182H, THR57H, THR97L, TRP103H, TRP154H, TRP163L, TRP188H, TRP36H, TRP47H, TYR122H, TYR173L, TYR175H, TYR186L, TYR32L, TYR49L, TYR87L, TYR90H, TYR91H, TYR97H, VAL115L, VAL121H, VAL132L, VAL133L, VAL136H, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL206H, VAL211H, VAL89H, VAL89L