3S7K

structure of thrombin mutant y225p in the e form

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 8
  • Norm. En. per Res.: -1.3947
• Hub Node: B(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	-102.7	-45.78	193.591	45.111	87	17	3	13125	9	42	31
B-C	0.0	-9.27	-1.8873	-11.1573	8	0	0	141	1	4	4
B-D	0.0	-4.7476	-21.6773	-26.4249	20	0	0	960	1	9	9
C-D	-102.4832	-52.8253	234.408	79.0994	96	23	2	14238	9	46	35

Interface residues

• A-B: ALA132B, ALA1A, ALA22B, ARG137B, ARG14A, ARG206B, ARG4A, ASN159B, ASN204B, ASN205B, ASP116B, ASP14A, ASP1A, ASP21B, ASP49B, CB9.5186615.07294, CYS122B, CYS1A, GLN131B, GLN209B, GLU13A, GLU14A, GLU1A, GLU1A5, GLU23B, GLU8A, GLY133B, GLY136B, GLY25B, GLY2A, HIS119B, ILE118B, ILE14A, ILE162B, ILE242B, ILE24B, ILE47B, ILE79B, LEU123B, LEU129B, LEU12A, LEU130B, LEU14A, LEU160B, LEU3A, LEU46B, LEU6A, LYS10A, LYS135B, LYS14A, LYS186B, LYS202B, LYS9A, MET201B, MET210B, MET26B, PHE114B, PHE199B, PHE204B, PHE7A, PRO120B, PRO161B, PRO204B, PRO28B, PRO5A, SER115B, SER11A, SER129B, SER14A, SER203B, SER20B, SER27B, SER48B, THR139B, THR14A, TRP207B, TRP29B, TYR117B, TYR134B, TYR14A, TYR184B, TYR208B, VAL121B, VAL138B, VAL157B, VAL158B, VAL200B
• B-C: ARG173B, ASP170B, LEU6C, LYS10C, LYS169B, PRO166B, PRO5C, VAL167B
• B-D: ALA113D, ARG173B, ARG175B, ARG77D, ASN78D, ASP116D, ASP170B, GLU217B, GLU77D, GLU80D, GLU97B, ILE174B, ILE24D, ILE79D, LYS169B, LYS81D, PHE114D, SER115D, THR172B, TYR117D
• C-D: ALA132D, ALA1C, ALA22D, ARG137D, ARG14C, ARG15C, ARG206D, ARG4C, ARG50D, ASN159D, ASN204D, ASN205D, ASP116D, ASP14C, ASP1C, ASP21D, ASP49D, CYS122D, CYS1C, GLN131D, GLN209D, GLN239D, GLU13C, GLU14C, GLU186D, GLU1C, GLU23D, GLU8C, GLY133D, GLY136D, GLY14C, GLY1C, GLY25D, GLY2C, HIS119D, ILE118D, ILE14C, ILE162D, ILE242D, ILE24D, ILE47D, ILE79D, LEU123D, LEU129D, LEU12C, LEU130D, LEU14C, LEU160D, LEU3C, LEU46D, LEU6C, LYS10C, LYS135D, LYS14C, LYS185D, LYS186D, LYS202D, LYS235D, LYS9C, MET201D, MET210D, MET26D, PHE114D, PHE199D, PHE204D, PHE7C, PRO111D, PRO120D, PRO161D, PRO204D, PRO28D, PRO5C, SER115D, SER11C, SER129D, SER14C, SER1C, SER203D, SER20D, SER27D, SER48D, THR139D, THR14C, TRP207D, TRP29D, TRP51D, TYR117D, TYR134D, TYR14C, TYR184D, TYR208D, VAL121D, VAL138D, VAL157D, VAL158D, VAL200D