3QDZ

crystal structure of the human thrombin mutant d102n in complex with the extracellular fragment of human par4.

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 63
  • Norm. En. per Res.: -4.0934
• 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	-68.8628	-59.529	366.752	238.3602	87	26	2	12910	10	48	31
A-D	-8.4408	-12.8358	-19.5761	-40.8527	30	2	2	1390	0	12	6
B-D	0.0	6.2434	-87.2009	-80.9575	49	15	0	3674	0	11	11
B-E	-38.5213	-49.0301	-170.333	-257.8844	63	26	0	6230	3	6	5
C-D	-30.4748	-73.0162	407.549	304.058	86	35	1	13360	10	47	34
D-F	-34.6456	-53.6903	-121.341	-209.677	61	17	0	4985	4	6	5

Interface residues

• A-B: ALA132B, ALA1A, ALA22B, ARG137B, ARG14A, ARG206B, ARG4A, ASN159B, ASN204B, ASN205B, ASP116B, ASP125B, ASP14A, ASP1A, ASP21B, CB7.32712-66.08897, CB8.7478941.71386, CYS122B, CYS1A, GLN131B, GLN209B, GLU13A, GLU14A, GLU1A, GLU1A5, GLU23B, GLU8A, GLY133B, GLY136B, 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
• A-D: ALA149D, ALA1A, ARG67D, ARG73D, ARG75D, ASN149D, ASP14A, ASP1A, CB6.58893-51.34322, GLN151D, GLN38D, GLU1A, GLU1A5, GLU39D, GLY149D, ILE14A, LEU14A, LEU3A, LEU40D, LYS9A, PHE34D, PRO152D, SER14A, SER153D, THR149D, THR74D, TRP148D, TYR14A, TYR76D, VAL149D
• B-D: ALA129B, ALA149D, ARG126B, ARG206B, ARG35D, ARG67D, ARG73D, ARG75D, ASN143D, ASN149D, ASN204B, ASN205B, ASP125B, ASP243B, GLN131B, GLN151D, GLN239B, GLN38D, GLU127B, GLU192D, GLU39D, GLY149D, GLY150D, ILE242B, LEU129B, LEU130B, LEU144D, LYS145D, LYS149D, LYS235B, LYS236B, LYS36D, PHE204B, PRO152D, PRO204B, PRO37D, SER129B, SER153D, SER203B, SER36D, SER72D, THR128B, THR147D, THR149D, THR74D, TRP148D, TYR134B, TYR208B, VAL149D
• B-E: ALA183B, ALA190B, ALA45E, ALA55B, ARG173B, ARG221B, ARG47E, ASN102B, ASN143B, ASN98B, ASP189B, ASP194B, ASP221B, ASP222B, CYS182B, CYS191B, CYS220B, CYS42B, CYS58B, GLU146B, GLU192B, GLU217B, GLY142B, GLY188B, GLY193B, GLY196B, GLY197B, GLY216B, GLY219B, GLY223B, GLY226B, GLY43B, HIS57B, ILE16B, ILE174B, ILE42E, LEU160B, LEU41B, LEU43E, LEU99B, LYS224B, LYS60B, PHE227B, PRO40E, PRO44E, PRO46E, PRO60B, SER171B, SER195B, SER214B, SER41E, THR172B, THR39E, TRP215B, TRP60B, TRP96B, TYR225B, TYR228B, TYR60B, TYR94B, VAL138B, VAL17B, VAL213B
• C-D: ALA132D, ALA1C, ALA22D, ARG137D, ARG14C, ARG206D, ARG4C, ASN159D, ASN204D, ASN205D, ASP116D, ASP125D, ASP14C, ASP1C, ASP21D, ASP49D, CYS122D, CYS1C, GLN131D, GLN209D, GLU13C, GLU14C, GLU1C, GLU23D, GLU8C, GLY133D, GLY136D, GLY25D, GLY2C, HIS119D, ILE118D, ILE14C, ILE162D, ILE24D, ILE47D, LEU123D, LEU129D, LEU12C, LEU130D, LEU14C, LEU160D, LEU3C, LEU46D, LEU6C, LYS10C, LYS135D, LYS14C, LYS186D, LYS202D, LYS9C, MET201D, MET210D, MET26D, PHE114D, PHE199D, PHE204D, PHE7C, PRO120D, PRO124D, PRO161D, PRO204D, PRO28D, PRO5C, SER115D, SER11C, SER129D, SER14C, SER203D, SER20D, SER27D, SER48D, THR128D, THR139D, THR14C, TRP207D, TRP29D, TYR117D, TYR134D, TYR14C, TYR184D, TYR208D, VAL121D, VAL138D, VAL157D, VAL158D, VAL200D
• D-F: ALA183D, ALA190D, ALA45F, ALA55D, ARG173D, ARG175D, ARG221D, ARG47F, ARG97D, ASN102D, ASN143D, ASN95D, ASN98D, ASP189D, ASP194D, ASP221D, CYS182D, CYS191D, CYS220D, CYS42D, CYS58D, GLU146D, GLU192D, GLU217D, GLU97D, GLY142D, GLY188D, GLY193D, GLY196D, GLY197D, GLY216D, GLY219D, GLY226D, GLY43D, HIS57D, ILE16D, ILE174D, LEU160D, LEU41D, LEU60D, LEU99D, LYS224D, LYS60D, MET180D, PHE227D, PRO44F, PRO46F, PRO60D, SER195D, SER214D, THR172D, TRP215D, TRP60D, TRP96D, TYR225D, TYR228D, TYR60D, TYR94D, VAL138D, VAL17D, VAL213D