1MH5

the structure of the complex of the fab fragment of the esterolytic antibody ms6-164 and a transition-state analog

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 169
  • Norm. En. per Res.: -2.8089
• 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	-28.0215	-22.1536	-424.535	-474.7101	169	13	11	16051	1	9	11
L-H	-13.2514	-17.7226	-444.825	-475.7991	176	12	7	16898	1	10	10

Interface residues

• A-B: ALA100A, ALA125B, ALA130A, ALA176B, ALA55A, ARG39A, ARG50A, ARG56B, ARG94B, ASN137A, ASN138A, ASN161A, ASN210A, ASN30A, ASN35B, ASN50B, ASN53A, ASN58B, ASN60B, ASP100B, ASP165A, ASP167A, ASP170A, ASP1A, ASP1A5, CB8.7141127.39029, CYS134A, CYS142B, CYS88A, CYS92B, GLN105B, GLN166A, GLN179B, GLN38A, GLN39B, GLN42A, GLN43B, GLN45A, GLN6A, GLN6B, GLN90A, GLU46B, GLU61B, GLU93A, GLY100B, GLY101A, GLY104B, GLY106B, GLY141B, GLY41A, GLY42B, GLY44B, GLY49B, GLY99A, HIS172B, HIS91A, HIS96B, ILE117A, ILE48A, ILE48B, ILE51B, LEU124B, LEU136A, LEU140B, LEU143B, LEU160A, LEU178B, LEU179A, LEU181A, LEU184B, LEU187B, LEU33A, LEU37A, LEU45B, LEU46A, LEU47A, LEU54A, LEU89A, LYS103A, LYS145B, LYS169A, LYS183A, LYS207A, LYS38B, LYS62B, LYS95B, MET175A, MET51A, PHE118A, PHE135A, PHE139A, PHE174B, PHE209A, PHE36A, PHE63B, PHE96A, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO175B, PRO44A, PRO95A, SER116A, SER131A, SER162A, SER168A, SER174A, SER176A, SER177A, SER180B, SER188B, SER189B, SER190B, SER208A, SER43A, SER56A, SER98B, THR114A, THR139B, THR164A, THR172A, THR173B, THR178A, THR180A, THR186B, THR192B, THR31A, THR57B, THR97A, TRP103B, TRP158B, TRP163A, TRP33B, TRP35A, TRP36B, TRP47B, TYR102B, TYR122B, TYR173A, TYR185B, TYR192A, TYR32A, TYR34A, TYR49A, TYR52B, TYR59B, TYR86A, TYR87A, TYR91B, TYR94A, TYR99B, VAL100B, VAL101B, VAL115A, VAL127B, VAL132A, VAL133A, VAL138B, VAL144B, VAL159A, VAL171B, VAL177B, VAL191B, VAL37B, VAL85A, VAL89B, VAL93B
• L-H: ALA100L, ALA125H, ALA130L, ALA176H, ALA55L, ARG39L, ARG50L, ARG56H, ARG94H, ASN137L, ASN138L, ASN161L, ASN30L, ASN35H, ASN50H, ASN53L, ASN58H, ASN60H, ASP100H, ASP165L, ASP167L, ASP170L, ASP1L, CYS134L, CYS142H, CYS88L, CYS92H, GLN105H, GLN124L, GLN166L, GLN179H, GLN38L, GLN39H, GLN42L, GLN43H, GLN45L, GLN6H, GLN6L, GLN90L, GLU123L, GLU46H, GLU61H, GLU93L, GLY100H, GLY101L, GLY104H, GLY106H, GLY128L, GLY129L, GLY141H, GLY158L, GLY169H, GLY41L, GLY42H, GLY44H, GLY49H, GLY99L, HIS172H, HIS91L, HIS96H, ILE117L, ILE48H, ILE48L, ILE51H, LEU124H, LEU125L, LEU136L, LEU140H, LEU143H, LEU160L, LEU178H, LEU181L, LEU184H, LEU187H, LEU33L, LEU37L, LEU45H, LEU46L, LEU47L, LEU54L, LEU89L, LYS142L, LYS145H, LYS169L, LYS207L, LYS38H, LYS62H, LYS95H, MET175L, PHE118L, PHE135L, PHE139L, PHE174H, PHE36L, PHE63H, PHE96L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO44L, PRO95L, SER116L, SER120H, SER121L, SER122L, SER127L, SER131L, SER136H, SER137H, SER162L, SER167H, SER168H, SER168L, SER174L, SER176L, SER177L, SER180H, SER188H, SER189H, SER190H, SER43L, SER56L, SER98H, THR114L, THR126L, THR139H, THR164L, THR172L, THR173H, THR178L, THR180L, THR186H, THR192H, THR31L, THR57H, THR97L, TRP103H, TRP158H, TRP163L, TRP33H, TRP35L, TRP36H, TRP47H, TYR102H, TYR122H, TYR173L, TYR185H, TYR32L, TYR34L, TYR49L, TYR52H, TYR59H, TYR86L, TYR87L, TYR91H, TYR94L, TYR99H, VAL100H, VAL101H, VAL115L, VAL121H, VAL132L, VAL133L, VAL138H, VAL144H, VAL159L, VAL171H, VAL177H, VAL191H, VAL37H, VAL85L, VAL89H, VAL93H