2A0Q

structure of thrombin in 400 mm potassium chloride

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 74
  • Norm. En. per Res.: -2.4448
• Hub Node: A(1)

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	-85.7605	-57.5005	229.448	86.187	85	29	2	13854	9	42	34
B-D	-22.3151	-27.3632	-131.239	-180.9173	74	6	0	4770	2	43	45
C-D	-104.7203	-55.899	296.728	136.1087	81	21	3	13086	9	40	30

Interface residues

• A-B: ALA132B, ALA1A, ALA22B, ARG137B, ARG14A, ARG206B, ARG4A, ASN159B, ASN204B, ASN205B, ASP116B, ASP14A, ASP1A, ASP21B, CYS122B, CYS1A, GLN131B, GLN209B, GLU13A, GLU14A, GLU164B, GLU186B, GLU23B, GLU8A, GLY133B, GLY136B, GLY14A, GLY25B, GLY2A, HIS119B, ILE118B, ILE14A, ILE162B, 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, THR128B, THR14A, TRP207B, TRP29B, TYR117B, TYR134B, TYR14A, TYR184B, TYR208B, VAL121B, VAL138B, VAL157B, VAL158B, VAL200B
• B-D: ALA190B, ALA190D, ARG187B, ARG187D, ARG221B, ARG73D, ASN143D, ASP186B, ASP186D, ASP189B, ASP189D, ASP194B, ASP194D, ASP21B, ASP21D, ASP221B, ASP222B, CYS191B, CYS191D, CYS220B, CYS220D, GLN151D, GLN156B, GLN156D, GLU146D, GLU186B, GLU186D, GLU18B, GLU18D, GLU192B, GLU192D, GLU217B, GLU217D, GLU39B, GLY142B, GLY142D, GLY186B, GLY186D, GLY188B, GLY188D, GLY193B, GLY193D, GLY19B, GLY19D, GLY216B, GLY216D, GLY219B, GLY219D, ILE16B, ILE16D, LEU144D, LEU40D, LEU41B, LYS145D, LYS185D, LYS186B, LYS224B, LYS224D, PRO152D, PRO186B, PRO186D, PRO60B, SER153D, SER195B, SER20B, THR147D, TRP141D, TRP60B, TYR60B, VAL154D, VAL157B, VAL158B, VAL17B, VAL17D
• C-D: ALA132D, ALA1C, ALA22D, ARG137D, ARG14C, ARG206D, ARG4C, ASN159D, ASN204D, ASN205D, ASP116D, ASP14C, ASP1C, ASP21D, CYS122D, CYS1C, GLN131D, GLN209D, GLU13C, GLU14C, GLU23D, GLU8C, GLY133D, GLY136D, GLY25D, GLY2C, HIS119D, ILE118D, ILE14C, ILE162D, ILE24D, ILE47D, ILE79D, LEU123D, LEU129D, LEU12C, LEU130D, LEU14C, LEU160D, LEU3C, LEU46D, LEU6C, LYS10C, LYS135D, LYS14C, LYS186D, LYS202D, LYS9C, MET201D, MET210D, MET26D, PHE114D, PHE199D, PHE204D, PHE7C, PRO120D, PRO161D, PRO204D, PRO28D, PRO5C, SER115D, SER11C, SER129D, SER14C, SER203D, SER20D, SER27D, SER48D, THR14C, TRP207D, TRP29D, TYR117D, TYR134D, TYR14C, TYR184D, TYR208D, VAL121D, VAL138D, VAL157D, VAL158D, VAL200D