2Y07

crystal structure analysis of the anti-(4-hydroxy-3- nitrophenyl) -acetyl murine germline monoclonal antibody bbe6.12h3 fab fragment in complex with a phage display derived dodecapeptide ppypawhapgni

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-P
  • Int. Res.: 18
  • Norm. En. per Res.: -4.0029
• Hub Node: H(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
H-L	-25.3324	-39.9563	-473.628	-538.9167	195	30	12	19536	1	19	15
H-P	0.0	0.0	-45.4951	-45.4951	23	13	1	2050	0	0	0
L-P	0.0	0.0	-72.0514	-72.0514	18	8	0	2640	0	0	0

Interface residues

• H-L: ALA132H, ALA133L, ALA175H, ALA177L, ALA216H, ALA2L, ALA35L, ALA57L, ALA59H, ALA91L, ALA97H, ARG211L, ARG220H, ARG43H, ARG50H, ARG56L, ARG98H, ASN131L, ASN172L, ASN36L, ASN54L, ASN55L, ASN61H, ASN96L, ASP100H, ASP108H, ASP141L, ASP180H, ASP43L, CYS137L, CYS147H, CYS90L, CYS96H, GLN112H, GLN160L, GLN166L, GLN170L, GLN178H, GLN1L, GLN39H, GLN39L, GLN6H, GLN6L, GLU126L, GLU127L, GLU129L, GLU163L, GLU40L, GLU46H, GLU62H, GLY101L, GLY102L, GLY103H, GLY103L, GLY104H, GLY111H, GLY113H, GLY134H, GLY146H, GLY151H, GLY161L, GLY169H, GLY42H, GLY44H, GLY48L, GLY49H, GLY51L, GLY52L, GLY59L, GLY8H, HIS171H, HIS35H, HIS44L, HIS97L, ILE139L, ILE217H, ILE48H, ILE50L, ILE86L, LEU120L, LEU128L, LEU131H, LEU135L, LEU145H, LEU148H, LEU177H, LEU181H, LEU181L, LEU183L, LEU184H, LEU209L, LEU45H, LEU45L, LEU49L, LEU4H, LEU92L, LYS150H, LYS169L, LYS174L, LYS207L, LYS215H, LYS38H, LYS63H, MET142H, MET162L, MET176L, PHE100L, PHE107H, PHE121L, PHE142L, PHE173H, PHE46L, PHE64H, PHE89L, PRO122L, PRO123L, PRO130H, PRO133H, PRO167L, PRO174H, PRO41H, PRO42L, PRO58L, SER105H, SER117L, SER124L, SER125L, SER127H, SER135H, SER168H, SER168L, SER171L, SER178L, SER179H, SER179L, SER185H, SER186H, SER187H, SER208L, SER210L, THR114H, THR115H, THR119L, THR130L, THR132L, THR134L, THR138L, THR140L, THR144H, THR164L, THR165L, THR172H, THR182L, THR183H, THR189H, THR47L, THR53L, TRP110H, TRP188L, TRP195H, TRP33H, TRP36H, TRP37L, TRP47H, TRP93L, TRP98L, TYR101H, TYR106H, TYR109H, TYR129H, TYR152H, TYR175L, TYR180L, TYR32H, TYR34L, TYR60H, TYR94L, TYR95H, TYR99H, VAL118L, VAL128H, VAL136L, VAL143H, VAL149H, VAL170H, VAL176H, VAL188H, VAL218H, VAL2H, VAL37H, VAL38L, VAL3L, VAL60L, VAL93H, VAL99L
• H-P: ALA59H, ALA5P, ARG50H, ASP100H, ASP52H, GLY49H, GLY57H, HIS35H, ILE51H, PRO2P, PRO4P, SER105H, SER55H, THR58H, TRP33H, TRP47H, TRP6P, TYR101H, TYR102H, TYR106H, TYR3P, TYR60H, TYR99H
• L-P: ASN33L, ASN36L, ASN96L, HIS97L, LEU92L, PRO1P, PRO2P, PRO4P, SER32L, SER95L, THR30L, THR31L, TRP6P, TRP93L, TRP98L, TYR34L, TYR3P, TYR94L