3HK6

crystal structure of murine thrombin mutant w215a/e217a (two molecules in the asymmetric unit)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 100
  • Norm. En. per Res.: -2.4239
• 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	-90.4534	-32.5571	325.711	202.7005	116	35	4	19792	9	44	41
B-D	-19.1289	29.3885	-252.654	-242.3944	100	18	0	11070	2	46	43
C-D	-74.1913	-37.3437	413.89	302.355	119	36	3	19409	7	45	41

Interface residues

• A-B: ALA132B, ALA1A, ALA22B, ALA27B, ARG131B, ARG137B, ARG206B, ARG236B, ARG4A, ARG50B, ASN159B, ASN1A, ASN204B, ASN205B, ASP116B, ASP125B, ASP14A, ASP1A, ASP21B, ASP243B, ASP49B, CYS122B, CYS1A, GLN209B, GLN239B, GLN244B, GLU14A, GLU1A, GLU23B, GLU8A, GLY133B, GLY136B, GLY14A, GLY1A, GLY246B, GLY25B, GLY2A, HIS119B, HIS1A, ILE118B, ILE14A, ILE162B, ILE238B, ILE242B, ILE26B, ILE47B, LEU105B, LEU123B, LEU129B, LEU12A, LEU130B, LEU14A, LEU160B, LEU1A, LEU3A, LEU46B, LEU53B, LEU6A, LYS107B, LYS10A, LYS126B, LYS135B, LYS13A, LYS14A, LYS186B, LYS1A, LYS202B, LYS235B, LYS240B, LYS24B, LYS9A, MET201B, PHE114B, PHE184B, PHE199B, PHE1A, PHE204B, PHE232B, PHE245B, PHE7A, PRO111B, PRO113B, PRO120B, PRO124B, PRO161B, PRO204B, PRO28B, PRO5A, SER115B, SER11A, SER129B, SER14A, SER203B, SER48B, THR128B, THR129B, THR14A, THR1A, TRP207B, TRP20B, TRP237B, TRP29B, TRP51B, TYR117B, TYR134B, TYR14A, TYR208B, VAL112B, VAL121B, VAL138B, VAL157B, VAL158B, VAL200B, VAL231B, VAL241B, VAL52B
• B-D: ALA215B, ALA215D, ALA217B, ARG145B, ARG145D, ARG173B, ARG173D, ARG175B, ARG175D, ARG221B, ARG221D, ARG35B, ARG35D, ARG97B, ARG97D, ASN143B, ASN143D, ASN149B, ASN149D, ASN60D, ASN95B, ASN95D, ASN98B, ASN98D, ASP100B, ASP100D, ASP102B, ASP102D, ASP221B, ASP221D, ASP60B, ASP60D, CYS220B, CYS220D, GLN151B, GLN151D, GLU146B, GLU146D, GLU149B, GLU149D, GLU192B, GLU192D, GLU39B, GLU39D, GLU97B, GLU97D, GLY216B, GLY219B, GLY223B, GLY223D, HIS57B, HIS57D, ILE149B, ILE149D, ILE150B, ILE150D, ILE174B, ILE174D, LEU41B, LEU41D, LEU60D, LEU99B, LEU99D, LYS222B, LYS222D, LYS224B, LYS224D, LYS60B, LYS60D, MET180B, MET180D, PHE227B, PHE227D, PHE60B, PHE60D, PRO37B, PRO37D, PRO60B, PRO60D, SER171B, SER171D, SER195B, SER214B, SER214D, THR147B, THR147D, THR149B, THR149D, THR172B, THR172D, TRP148B, TRP148D, TRP60B, TRP60D, TRP96B, TRP96D, TYR60B, TYR60D, TYR94B, TYR94D
• C-D: ALA132D, ALA1C, ALA22D, ALA27D, ARG131D, ARG137D, ARG206D, ARG236D, ARG4C, ARG50D, ASN159D, ASN1C, ASN204D, ASN205D, ASP116D, ASP125D, ASP14C, ASP1C, ASP21D, ASP243D, ASP49D, CYS122D, CYS1C, GLN127D, GLN209D, GLN239D, GLN244D, GLU14C, GLU164D, GLU1C, GLU23D, GLU8C, GLY133D, GLY136D, GLY14C, GLY19D, GLY1C, GLY246D, GLY25D, GLY2C, HIS119D, HIS1C, ILE118D, ILE14C, ILE162D, ILE238D, ILE242D, ILE26D, ILE47D, LEU105D, LEU123D, LEU129D, LEU12C, LEU130D, LEU14C, LEU160D, LEU1C, LEU3C, LEU46D, LEU53D, LEU6C, LYS107D, LYS10C, LYS126D, LYS135D, LYS13C, LYS14C, LYS186D, LYS1C, LYS202D, LYS235D, LYS240D, LYS24D, LYS9C, MET201D, MET210D, PHE114D, PHE184D, PHE199D, PHE1C, PHE204D, PHE232D, PHE245D, PHE7C, PRO111D, PRO113D, PRO120D, PRO124D, PRO161D, PRO204D, PRO28D, PRO5C, SER115D, SER11C, SER129D, SER14C, SER203D, SER48D, THR128D, THR129D, THR14C, THR1C, TRP207D, TRP20D, TRP237D, TRP29D, TRP51D, TYR117D, TYR134D, TYR14C, TYR208D, VAL112D, VAL121D, VAL138D, VAL157D, VAL158D, VAL200D, VAL241D, VAL52D