1RUM

crystal structure (f) of h2o2-soaked cationic cyclization antibody 4c6 fab at ph 8.5 with a data set collected at ssrl beamline 9-1.

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: L-H
  • Int. Res.: 208
  • Norm. En. per Res.: -3.2526
• Hub Node: L(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
L-H	-88.6295	-35.9072	-552.01	-676.5468	208	24	8	20891	3	16	15

Interface residues

• L-H: ALA100H, ALA125H, ALA130L, ALA176H, ALA34H, ALA93H, ARG1H, ARG211L, ARG228H, ARG38H, ARG39L, ARG46L, ASN137L, ASN138L, ASN161L, ASN210L, ASN212L, ASN27L, ASN28L, ASN34L, ASN35H, ASN43H, ASN60H, ASP130H, ASP165L, ASP167L, ASP170L, ASP1L, ASP55L, ASP99H, CYS128H, CYS134L, CYS142H, CYS214L, CYS88L, CYS92H, GLN105H, GLN124L, GLN179H, GLN38L, GLN39H, GLN42L, GLN6H, GLN6L, GLN90L, GLU123L, GLU213L, GLU226H, GLU46H, GLY100H, GLY100L, GLY101H, GLY101L, GLY104H, GLY106H, GLY128L, GLY129H, GLY129L, GLY141H, GLY158L, GLY169H, GLY229H, GLY41L, GLY42H, GLY49H, GLY51L, GLY57L, GLY84L, GLY91L, GLY94H, GLY99L, HIS172H, HIS59H, HIS93L, ILE117L, ILE223H, ILE37H, ILE48L, LEU124H, LEU125L, LEU136L, LEU140H, LEU143H, LEU160L, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU33L, LEU36L, LEU45H, LEU47L, LEU4H, LEU50L, LEU54L, LEU63H, LEU95H, LEU96H, LYS103L, LYS145H, LYS169L, LYS207L, LYS221H, LYS222H, LYS30L, LYS44H, LYS45L, LYS53L, LYS9L, MET175L, MET48H, PHE118L, PHE135L, PHE139L, PHE174H, PHE209L, PHE32L, PHE33H, PHE40H, PHE56H, PHE94L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO227H, PRO230H, PRO44L, PRO61H, PRO95L, SER102H, SER116L, SER120H, SER121L, SER122L, SER127L, SER131L, SER137H, SER162L, SER167H, SER168H, SER174L, SER176L, SER177L, SER180H, SER188H, SER189H, SER190H, SER208L, SER43L, SER56L, SER58H, SER62H, THR102L, THR107H, THR10L, THR114L, THR126L, THR133H, THR139H, THR164L, THR172L, THR173H, THR178L, THR180L, THR186H, THR192H, THR31L, THR57H, THR89H, THR97L, TRP103H, TRP157H, TRP199H, TRP36H, TRP47H, TRP89L, TRP97H, TYR122H, TYR173L, TYR185H, TYR186L, TYR192L, TYR49L, TYR50H, TYR86L, TYR87L, TYR90H, TYR91H, TYR96L, TYR98H, VAL115L, VAL121H, VAL127H, VAL132L, VAL133L, VAL138H, VAL144H, VAL159L, VAL171H, VAL177H, VAL191H, VAL2H, VAL58L, VAL85L