3N85

crystallographic trimer of her2 extracellular regions in complex with tryptophan-rich antibody fragment

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 85
  • Norm. En. per Res.: -2.7702
• 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-L	0.0	0.0	-79.5419	-79.5419	38	2	0	2748	0	0	1
A-H	-15.3087	3.7991	-223.955	-235.4646	85	5	0	8308	0	6	3
L-H	-13.2903	-20.5843	-467.155	-501.0296	190	10	12	17794	3	18	15

Interface residues

• A-L: ALA32L, ALA488A, ARG477A, ASN449A, ASN476A, ASP1L, ASP395A, ASP480A, CYS453A, CYS482A, GLN90L, GLU481A, GLU485A, GLY484A, GLY486A, HIS451A, LEU452A, LEU487A, PRO398A, PRO478A, PRO501A, PRO95L, SER28L, SER30L, SER31L, SER429A, SER50L, THR450A, TRP430A, TRP91L, TRP92L, TRP93L, TRP94L, TYR49L, TYR55L, VAL29L, VAL33L, VAL483A
• A-H: ALA60H, ALA99H, ARG434A, ARG477A, ARG94H, ASN405A, ASN76H, ASP100H, ASP395A, ASP399A, ASP61H, GLN371A, GLN374A, GLN376A, GLN404A, GLN505A, GLN516A, GLU1H, GLU373A, GLU379A, GLU485A, GLU517A, GLY26H, GLY427A, GLY432A, GLY486A, GLY500A, GLY502A, GLY55H, HIS35H, HIS451A, HIS490A, ILE29H, ILE34H, ILE428A, ILE51H, LEU375A, LEU397A, LEU400A, LEU426A, LEU431A, LEU487A, LYS64H, PHE27H, PHE378A, PHE403A, PHE454A, PRO372A, PRO394A, PRO398A, PRO501A, PRO503A, PRO52H, SER25H, SER28H, SER32H, SER396A, SER401A, SER429A, SER50H, SER52H, SER53H, SER54H, SER58H, SER97H, SER98H, THR380A, THR504A, THR57H, THR73H, TRP30H, TRP31H, TRP33H, TRP393A, TRP430A, TRP47H, TRP499A, TRP56H, TRP95H, TRP96H, TYR101H, TYR59H, VAL2H, VAL377A, VAL402A
• L-H: ALA124H, ALA130L, ALA140H, ALA141H, ALA172H, ALA32L, ALA34L, ALA43L, ALA49H, ALA51L, ALA60H, ALA93H, ALA99H, ARG142L, ARG38H, ARG94H, ASN137L, ASN138L, ASN158L, ASN210L, ASP100H, ASP122L, ASP148H, ASP167L, ASP170L, ASP1L, ASP61H, CYS134L, CYS144H, CYS214L, CYS88L, CYS92H, GLN100L, GLN104H, GLN124L, GLN160L, GLN166L, GLN175H, GLN37L, GLN38L, GLN39H, GLN6L, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU216H, GLU46H, GLU6H, GLY101L, GLY103H, GLY105H, GLY137H, GLY143H, GLY157L, GLY166H, GLY41L, GLY42H, GLY44H, GLY99L, HIS168H, HIS35H, ILE117L, ILE34H, ILE48L, ILE51H, LEU123H, LEU125L, LEU135L, LEU136L, LEU142H, LEU145H, LEU174H, LEU175L, LEU179H, LEU179L, LEU181L, LEU182H, LEU45H, LEU46L, LEU47L, LEU54L, LYS103L, LYS126L, LYS147H, LYS169L, LYS207L, LYS213H, LYS218H, LYS39L, LYS42L, LYS43H, LYS45L, LYS64H, MET100H, PHE116L, PHE118L, PHE121H, PHE139L, PHE170H, PHE209L, PHE98L, PRO119L, PRO120L, PRO122H, PRO125H, PRO171H, PRO40L, PRO44L, PRO95L, SER114L, SER119H, SER121L, SER126H, SER127H, SER127L, SER131L, SER159L, SER162L, SER165H, SER168L, SER174L, SER176H, SER176L, SER177H, SER177L, SER181H, SER183H, SER184H, SER190H, SER208L, SER31L, SER50H, SER50L, SER53L, SER56L, SER58H, SER62H, SER96L, SER97H, SER98H, THR129L, THR139H, THR164L, THR169H, THR172L, THR178L, THR180L, THR187H, THR57H, THR85L, THR97L, TRP102H, TRP33H, TRP35L, TRP36H, TRP47H, TRP56H, TRP91L, TRP92L, TRP94L, TRP95H, TRP96H, TYR101H, TYR173L, TYR36L, TYR49L, TYR55L, TYR59H, TYR86L, TYR87L, TYR91H, VAL115L, VAL120H, VAL132L, VAL133L, VAL163L, VAL167H, VAL173H, VAL185H, VAL186H, VAL188H, VAL211H, VAL215H, VAL2H, VAL33L, VAL37H, VAL48H, VAL89H