2HWL

crystal structure of thrombin in complex with fibrinogen gamma' peptide

• Total interactions analyzed: 10
• Total true interactions: 4
• Strongest Interaction:
  • Chains: D-P
  • Int. Res.: 58
  • Norm. En. per Res.: -4.6928
• 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	-91.7304	-88.3677	367.484	187.3859	85	17	1	12167	10	42	32
B-D	-21.3107	-106.4383	-146.03	-273.779	69	13	0	6512	8	48	46
C-D	-113.4159	-43.045	304.221	147.76	102	28	2	15052	9	42	33
D-P	-53.3825	-72.6213	-146.181	-272.1848	58	25	3	6425	4	28	11

Interface residues

• A-B: ALA132B, ALA1A, ALA22B, ARG137B, ARG14A, ARG206B, ARG4A, ASN159B, ASN204B, ASN205B, ASP116B, ASP125B, ASP14A, ASP1A, ASP21B, CB7.49097-72.11679, CB8.2866443.23248, CYS122B, CYS1A, GLN131B, GLN209B, GLU13A, GLU14A, GLU1A, GLU1A9, GLU23B, GLU8A, GLY133B, GLY136B, GLY1A, GLY25B, GLY2A, HIS119B, ILE118B, ILE162B, ILE24B, ILE47B, ILE79B, LEU123B, LEU129B, LEU12A, LEU14A, LEU160B, LEU3A, LEU46B, LEU6A, LYS10A, LYS135B, LYS14A, LYS186B, LYS202B, LYS9A, MET201B, MET26B, PHE114B, PHE199B, PHE204B, PHE7A, PRO120B, PRO124B, PRO161B, PRO204B, PRO28B, PRO5A, SER115B, SER11A, SER14A, SER203B, SER20B, SER27B, SER48B, THR128B, THR139B, THR14A, TRP207B, TRP29B, TYR117B, TYR134B, TYR184B, TYR208B, VAL121B, VAL138B, VAL157B, VAL158B, VAL200B
• B-D: ARG173B, ARG173D, ARG175B, ARG175D, ARG187B, ARG221B, ARG221D, ARG35B, ARG35D, ARG97B, ARG97D, ASN143B, ASN143D, ASN95B, ASN95D, ASN98B, ASN98D, ASP221B, ASP222B, ASP222D, ASP60B, ASP60D, CYS220B, CYS220D, GLU146B, GLU146D, GLU192B, GLU192D, GLU217B, GLU217D, GLU39B, GLU39D, GLU97B, GLU97D, GLY216D, GLY219B, GLY219D, GLY223B, GLY223D, ILE174B, ILE174D, ILE176B, ILE176D, LEU41B, LEU41D, LEU99B, LYS145B, LYS224B, LYS224D, LYS60B, LYS60D, PHE60B, PHE60D, PRO186B, PRO186D, PRO37B, PRO37D, PRO60B, PRO60D, THR147B, THR147D, THR172B, THR172D, TRP60B, TRP60D, TRP96B, TRP96D, TYR60B, TYR60D
• C-D: ALA132D, ALA1C, ALA22D, ARG126D, ARG137D, ARG14C, ARG206D, ARG4C, ARG50D, ASN159D, ASN204D, ASN205D, ASP116D, ASP125D, ASP14C, ASP1C, ASP21D, ASP243D, ASP49D, CYS122D, CYS1C, GLN131D, GLN209D, GLN239D, GLN244D, GLU13C, GLU14C, GLU1C, GLU23D, GLU8C, GLY133D, GLY136D, GLY1C, GLY25D, GLY2C, HIS119D, ILE118D, ILE14C, ILE162D, ILE238D, ILE242D, ILE24D, ILE47D, ILE79D, LEU123D, LEU129D, LEU12C, LEU130D, LEU14C, LEU160D, LEU3C, LEU46D, LEU6C, LYS10C, LYS135D, LYS14C, LYS186D, LYS202D, LYS235D, LYS236D, LYS240D, LYS9C, MET201D, MET210D, MET26D, PHE114D, PHE199D, PHE1C, PHE204D, PHE232D, PHE245D, PHE7C, PRO120D, PRO124D, PRO161D, PRO204D, PRO28D, PRO5C, SER115D, SER11C, SER129D, SER14C, SER1C, SER203D, SER20D, SER27D, SER48D, THR128D, THR139D, THR14C, TRP207D, TRP29D, TYR117D, TYR134D, TYR14C, TYR184D, TYR208D, VAL121D, VAL138D, VAL157D, VAL158D, VAL200D
• D-P: ALA129D, ALA132D, ALA183D, ALA414P, ARG101D, ARG126D, ARG165D, ARG233D, ARG93D, ASN179D, ASP100D, ASP125D, ASP178D, ASP419P, CYS168D, CYS182D, GLN131D, GLU127D, GLU164D, GLU415P, GLU417P, GLY133D, GLY226D, HIS230D, HIS91D, ILE162D, ILE176D, ILE238D, LEU129D, LEU130D, LEU234D, LEU421P, LYS169D, LYS235D, LYS236D, LYS240D, MET180D, MET210D, PHE181D, PHE227D, PHE232D, PRO161D, PRO166D, PRO413P, PRO423P, PRO92D, SER129D, SER420P, THR128D, THR177D, THR416P, TRP237D, TYR134D, TYR228D, VAL163D, VAL167D, VAL231D, VAL241D