3BE1

dual specific bh1 fab in complex with the extracellular domain of her2/erbb-2

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 43
  • Norm. En. per Res.: -4.3599
• 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-H	-16.9432	-75.4401	-95.0929	-187.4763	43	2	1	3540	5	9	5
A-L	-10.3731	-0.591	-104.125	-115.089	49	7	0	3731	0	8	4
H-L	-42.7988	-4.3897	-416.407	-463.5956	181	11	12	16845	0	16	16

Interface residues

• A-H: ALA559A, ARG50H, ARG577A, ARG58H, ASN54H, ASP560A, ASP570A, ASP98H, CYS578A, CYS601A, GLN561A, GLU558A, GLY556A, GLY55H, GLY96H, GLY97H, GLY99H, HIS35H, HIS542A, ILE51H, ILE591A, LEU539A, LYS569A, LYS593A, PHE100H, PHE555A, PHE573A, PRO540A, PRO557A, PRO571A, PRO572A, PRO579A, PRO603A, SER580A, THR57H, TRP95H, TYR100H, TYR33H, TYR52H, TYR532A, TYR56H, TYR59H, VAL575A
• A-L: ALA559A, ALA600A, ARG27L, ASN607A, ASP560A, ASP570A, ASP596A, CYS578A, CYS601A, CYS604A, GLN561A, GLN602A, GLN90L, GLU558A, GLU598A, GLY31L, GLY51L, GLY599A, HIS91L, ILE27L, ILE29L, ILE591A, ILE606A, LYS569A, LYS593A, PHE573A, PHE594A, PRO27L, PRO571A, PRO572A, PRO579A, PRO595A, PRO603A, PRO605A, PRO95L, PRO96L, SER28L, SER30L, SER52L, THR93L, THR94L, TRP50L, TRP592A, TYR32L, TYR49L, TYR53L, TYR92L, VAL33L, VAL563A
• H-L: ALA101H, ALA127H, ALA130L, ALA138H, ALA139H, ALA170H, ALA34L, ALA43L, ALA49H, ALA60H, ARG38H, ARG50H, ARG58H, ARG94H, ASN137L, ASN138L, ASP103H, ASP122L, ASP146H, ASP167L, ASP170L, ASP1L, ASP61H, ASP98H, CYS134L, CYS142H, CYS88L, CYS92H, GLN100L, GLN107H, GLN124L, GLN160L, GLN173H, GLN37L, GLN38L, GLN39H, GLN6L, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU214H, GLU46H, GLU6H, GLY101L, GLY106H, GLY108H, GLY128L, GLY136H, GLY141H, GLY164H, GLY176H, GLY41L, GLY42H, GLY44H, GLY51L, GLY96H, GLY97H, GLY99H, GLY99L, HIS166H, HIS35H, HIS91L, ILE117L, ILE48L, LEU125L, LEU126H, LEU135L, LEU136L, LEU140H, LEU143H, LEU172H, LEU175L, LEU177H, LEU179L, LEU180H, LEU181L, LEU45H, LEU46L, LEU47L, LYS103L, LYS126L, LYS145H, LYS169L, LYS207L, LYS211H, LYS212H, LYS39L, LYS42L, LYS43H, LYS45L, MET102H, PHE100H, PHE116L, PHE118L, PHE124H, PHE139L, PHE168H, PHE209L, PHE98L, PRO119L, PRO120L, PRO125H, PRO128H, PRO169H, PRO40L, PRO44L, PRO95L, PRO96L, SER114L, SER121L, SER122H, SER127L, SER131L, SER159L, SER162L, SER163H, SER174H, SER174L, SER175H, SER176L, SER177L, SER179H, SER181H, SER182H, SER182L, SER188H, SER56L, SER93H, THR129L, THR137H, THR162H, THR164L, THR167H, THR172L, THR178L, THR180L, THR185H, THR85L, THR93L, THR94L, THR97L, TRP105H, TRP35L, TRP36H, TRP47H, TRP50L, TRP95H, TYR100H, TYR104H, TYR173L, TYR178H, TYR32L, TYR33H, TYR36L, TYR49L, TYR53L, TYR55L, TYR59H, TYR86L, TYR87L, TYR91H, TYR92L, VAL115L, VAL123H, VAL132L, VAL133L, VAL163L, VAL165H, VAL171H, VAL183H, VAL184H, VAL186H, VAL209H, VAL213H, VAL2H, VAL33L, VAL37H, VAL48H, VAL89H