3D8K

crsytal structure of a phosphatase from a toxoplasma gondii

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 62
  • Norm. En. per Res.: -1.9935
• 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-B	-18.6524	-4.8659	-100.08	-123.5983	62	12	1	4359	4	25	23
A-D	-9.68	21.484	-116.071	-104.2669	73	17	0	5276	6	60	44
B-C	-9.8912	57.7871	-146.246	-98.35	73	17	0	5697	5	52	59
C-D	-4.118	9.0773	-76.511	-71.5517	62	23	0	3908	0	27	26

Interface residues

• A-B: ALA91B, ALA93B, ARG79A, ARG79B, ARG87A, ARG87B, ARG96A, ARG96B, ARG98A, ARG98B, ARG99A, ARG99B, ASN416A, ASN416B, ASN97B, CYS90A, CYS90B, GLN143A, GLN143B, GLU103A, GLU103B, GLU410A, GLU410B, GLU415A, GLU415B, GLU84A, GLU84B, GLU85B, GLY411A, GLY411B, GLY414A, GLY414B, GLY86A, GLY86B, HIS80A, HIS80B, ILE83A, ILE83B, LEU409B, LEU78A, LEU78B, LEU81A, LEU81B, PRO100A, PRO100B, SER102A, SER102B, SER104A, SER104B, SER413A, SER413B, THR101A, THR101B, THR412A, THR412B, THR88B, THR94A, THR94B, TYR82A, TYR82B, VAL89A, VAL89B
• A-D: ALA173A, ALA173D, ALA174A, ALA174D, ALA325D, ARG153A, ARG153D, ARG162A, ARG162D, ARG166A, ARG166D, ARG172A, ARG172D, ASN147A, ASN147D, ASN150A, ASN156D, ASN175A, ASN175D, ASP151A, ASP151D, ASP154A, ASP154D, ASP168A, ASP168D, ASP170A, ASP170D, ASP321A, ASP321D, GLN163A, GLN163D, GLN319D, GLN320D, GLU157A, GLU157D, GLU158A, GLU158D, GLU159A, GLU159D, GLU165A, GLU165D, GLU206A, GLU206D, GLY169A, GLY169D, GLY207A, GLY207D, GLY313A, GLY313D, ILE160D, LEU152A, LEU152D, LEU171A, LEU171D, LEU176A, LEU176D, LEU318A, LEU318D, LYS311A, LYS311D, LYS312A, LYS312D, LYS317A, LYS317D, PHE308A, PHE308D, THR161A, TRP140A, TRP140D, TYR148A, TYR148D, VAL326A, VAL326D
• B-C: ALA196B, ALA196C, ALA236B, ALA237B, ALA237C, ARG118C, ARG120B, ARG120C, ARG153B, ARG153C, ARG162B, ARG162C, ARG166B, ARG166C, ARG188B, ARG188C, ARG197B, ARG197C, ARG231B, ARG231C, ARG232B, ARG402C, ASN150B, ASN150C, ASN156B, ASN156C, ASN229B, ASP151B, ASP151C, ASP154B, ASP154C, ASP233B, GLN163B, GLN163C, GLU122C, GLU157B, GLU158B, GLU158C, GLU159B, GLU159C, GLU190B, GLU190C, GLU195B, GLU195C, GLU206B, GLU206C, GLY119B, GLY119C, GLY207B, GLY207C, GLY239B, ILE160B, ILE240B, ILE423C, LEU152B, LEU152C, LYS191B, LYS191C, LYS192B, LYS192C, PHE230B, PRO121B, PRO121C, PRO193B, PRO193C, PRO205B, THR161B, THR194B, THR194C, TYR148B, TYR189C, VAL155C, VAL204B
• C-D: ALA91C, ALA93C, ARG135C, ARG79C, ARG79D, ARG87C, ARG87D, ARG96C, ARG98C, ARG99C, ARG99D, ASN416C, ASN416D, ASN97C, CYS90C, CYS90D, GLN143C, GLU103C, GLU103D, GLU410C, GLU410D, GLU415C, GLU415D, GLU418D, GLU84C, GLU84D, GLU85C, GLU85D, GLY411C, GLY411D, GLY414C, GLY417C, GLY417D, GLY86C, GLY86D, HIS80C, HIS80D, ILE83C, ILE83D, LEU409C, LEU409D, LEU78C, LEU78D, LEU81C, LEU81D, PRO100C, PRO100D, SER102C, SER102D, SER104D, SER413C, SER413D, THR101C, THR412C, THR412D, THR88D, THR94C, THR94D, TYR82C, TYR82D, VAL110C, VAL89D