2HFG

crystal structure of hbr3 bound to cb3s-fab

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-R
  • Int. Res.: 53
  • Norm. En. per Res.: -5.2377
• Hub Node: L(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
L-H	-29.7471	-23.3341	-439.334	-492.4151	191	18	12	17496	2	19	18
L-R	0.0	0.0	-49.9282	-49.9282	27	0	0	1924	0	0	0
H-R	-65.2872	-30.1914	-182.118	-277.5966	53	8	6	6999	2	9	6

Interface residues

• L-H: ALA100H, ALA125H, ALA129L, ALA136H, ALA137H, ALA168H, ALA32L, ALA34L, ALA43L, ALA49H, ALA51L, ALA60H, ALA93H, ARG100H, ARG141L, ARG38H, ARG94H, ARG95H, ASN136L, ASN137L, ASN99H, ASP101H, ASP121L, ASP144H, ASP166L, ASP169L, ASP1L, ASP58H, ASP61H, CYS100H, CYS133L, CYS140H, CYS88L, CYS92H, CYS97H, GLN100L, GLN105H, GLN123L, GLN159L, GLN165L, GLN171H, GLN37L, GLN38L, GLN39H, GLN89L, GLN90L, GLN92L, GLU122L, GLU160L, GLU164L, GLU212L, GLU46H, GLU6H, GLY100H, GLY101L, GLY104H, GLY106H, GLY139H, GLY156L, GLY162H, GLY41L, GLY44H, GLY66L, GLY99L, HIS164H, HIS35H, ILE116L, ILE48L, ILE93L, LEU124H, LEU124L, LEU134L, LEU135L, LEU138H, LEU141H, LEU170H, LEU174L, LEU175H, LEU178H, LEU178L, LEU180L, LEU45H, LEU46L, LEU47L, LEU54L, LYS117H, LYS125L, LYS143H, LYS168L, LYS209H, LYS210H, LYS214H, LYS39L, LYS42L, LYS43H, LYS45L, LYS64H, MET100H, PHE115L, PHE117L, PHE122H, PHE138L, PHE166H, PHE208L, PHE53L, PHE98L, PRO118L, PRO119L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, PRO95L, PRO96L, SER113L, SER120H, SER120L, SER126L, SER127H, SER130L, SER158L, SER161H, SER161L, SER167L, SER172H, SER173H, SER173L, SER175L, SER176L, SER177H, SER179H, SER180H, SER186H, SER30L, SER33H, SER50L, SER52L, SER56L, SER62H, SER67L, SER91L, SER94L, THR128L, THR135H, THR160H, THR163L, THR165H, THR171L, THR177L, THR179L, THR183H, THR31L, THR57H, THR85L, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TRP50H, TYR102H, TYR172L, TYR36L, TYR49L, TYR55L, TYR59H, TYR86L, TYR87L, TYR91H, TYR98H, VAL100H, VAL114L, VAL121H, VAL131L, VAL132L, VAL142H, VAL162L, VAL163H, VAL169H, VAL181H, VAL182H, VAL184H, VAL207H, VAL211H, VAL2H, VAL33L, VAL37H, VAL48H, VAL89H, VAL96H
• L-R: ALA32L, ARG30R, ARG39R, ASP26R, GLN89L, GLN90L, GLN92L, ILE93L, LEU28R, LEU37R, LEU38R, LEU54L, PHE25R, PHE53L, PRO27R, PRO95L, PRO96L, SER30L, SER50L, SER52L, SER56L, SER91L, SER94L, THR97L, TYR49L, TYR55L, VAL29R
• H-R: ALA100H, ALA22R, ALA34R, ARG100H, ARG30R, ARG39R, ARG94H, ARG95H, ASN20R, ASN99H, ASP26R, ASP58H, CYS100H, CYS19R, CYS24R, CYS32R, CYS35R, CYS97H, GLU23R, GLY100H, GLY36R, HIS31R, HIS35H, ILE34H, LEU100H, LEU28R, LEU37R, LEU38R, LEU52H, MET100H, PHE25R, PHE27H, PHE56H, PRO16R, PRO21R, PRO27R, PRO52H, SER30H, SER31H, SER32H, SER33H, SER53H, THR28H, THR57H, TRP47H, TRP50H, TYR98H, VAL100H, VAL29R, VAL33R, VAL51H, VAL54H, VAL96H