1SG8

crystal structure of the procoagulant fast form of thrombin

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 80
  • Norm. En. per Res.: -6.6647
• 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	-81.5278	-96.3168	86.4706	-91.374	81	38	2	12961	11	39	30
B-D	0.0	0.0	-6.2965	-6.2965	16	0	0	402	0	5	2
B-E	0.0	0.0	-67.4329	-67.4329	38	7	0	3025	0	8	9
D-E	-89.1618	-89.0101	-355.008	-533.1799	80	39	2	13330	8	37	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, GLU23B, GLU8A, GLY133B, GLY136B, GLY25B, GLY2A, HIS119B, ILE118B, ILE14A, ILE162B, ILE24B, ILE47B, 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-D: ALA1D, ARG75B, GLN38B, GLU14D, GLU77B, HIS71B, ILE14D, LEU14D, LEU3D, PRO37B, SER153B, SER72B, THR74B, TYR14D, TYR76B, VAL154B
• B-E: ALA129E, ARG126E, ARG206E, ARG35B, ARG67B, ARG73B, ARG75B, ASN143B, ASN204E, ASN205E, GLN131E, GLN151B, GLN38B, GLU127E, GLU39B, GLY150B, LEU129E, LEU40B, LEU41B, LYS145B, LYS70B, MET32B, PHE204E, PHE34B, PRO152B, PRO204E, PRO37B, SER129E, SER153B, SER203E, SER36B, SER72B, THR128E, THR147B, THR74B, TRP148B, TYR134E, TYR76B
• D-E: ALA132E, ALA1D, ALA22E, ARG137E, ARG14D, ARG206E, ARG4D, ASN159E, ASN204E, ASN205E, ASP116E, ASP14D, ASP1D, ASP21E, CYS122E, CYS1D, GLN131E, GLN209E, GLU13D, GLU14D, GLU23E, GLU8D, GLY133E, GLY136E, GLY25E, GLY2D, HIS119E, ILE118E, ILE14D, ILE162E, ILE24E, ILE47E, LEU123E, LEU129E, LEU12D, LEU14D, LEU160E, LEU3D, LEU46E, LEU6D, LYS10D, LYS135E, LYS14D, LYS186E, LYS202E, LYS9D, MET201E, MET210E, MET26E, PHE114E, PHE199E, PHE204E, PHE7D, PRO120E, PRO161E, PRO204E, PRO28E, PRO5D, SER115E, SER11D, SER129E, SER14D, SER203E, SER20E, SER27E, SER48E, THR139E, THR14D, TRP207E, TRP29E, TYR117E, TYR134E, TYR14D, TYR184E, TYR208E, VAL121E, VAL138E, VAL157E, VAL158E, VAL200E