3HKI

crystal structure of murine thrombin mutant w215a/e217a in complex with the extracellular fragment of human par1

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 41
  • Norm. En. per Res.: -7.1446
• Hub Node: A(3)

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	-108.7852	-39.7013	317.746	169.2595	116	47	3	18954	10	46	41
A-D	-20.9271	0.0	-48.8684	-69.7955	17	2	0	2220	3	14	20
A-E	0.0	-1.0797	-11.3321	-12.4118	23	0	0	716	0	14	13
B-C	-50.3615	-82.055	-160.512	-292.9286	41	12	2	5240	5	31	16
B-D	-11.1273	-2.7799	-21.59	-35.4972	27	5	0	1246	2	16	12
D-E	-111.5174	-39.1155	265.505	114.8721	118	44	4	19951	9	49	41
E-F	-28.9007	-36.2984	-156.463	-221.6621	43	10	2	5548	2	20	13

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, GLN127B, GLN209B, GLN239B, GLN244B, GLU14A, GLU1A, GLU23B, GLU8A, GLY133B, GLY136B, GLY19B, GLY1A, GLY246B, GLY25B, GLY2A, HIS119B, HIS1A, ILE118B, ILE162B, ILE238B, ILE242B, ILE26B, ILE47B, LEU105B, LEU123B, LEU129B, LEU12A, LEU14A, LEU160B, LEU1A, LEU3A, LEU46B, LEU53B, LEU6A, LYS107B, LYS10A, LYS126B, LYS135B, LYS13A, LYS14A, LYS186B, LYS1A, LYS202B, LYS235B, LYS240B, LYS24B, LYS9A, MET201B, MET210B, PHE114B, PHE184B, PHE199B, PHE1A, PHE204B, PHE232B, PHE245B, PHE7A, PRO111B, PRO113B, PRO120B, PRO124B, PRO161B, PRO204B, PRO28B, PRO5A, SER115B, SER11A, SER129B, SER14A, SER203B, SER48B, THR128B, THR139B, THR14A, THR1A, TRP207B, TRP20B, TRP237B, TRP29B, TRP51B, TYR117B, TYR134B, TYR14A, TYR208B, VAL112B, VAL121B, VAL138B, VAL157B, VAL158B, VAL200B, VAL241B, VAL52B, VAL79B
• A-D: ASP14A, ASP14D, GLU14A, GLU14D, LEU12A, LEU12D, LEU14A, LEU14D, LYS13A, LYS13D, LYS14A, LYS14D, PHE7A, PHE7D, SER11A, THR14A, THR14D
• A-E: ARG137E, ASN159E, ASP14A, ASP21E, GLU14A, GLU18E, GLU23E, GLY19E, LEU12A, LEU14A, LYS135E, LYS13A, LYS14A, LYS186E, PHE184E, SER11A, SER14A, THR14A, THR186E, TRP20E, TYR14A, VAL157E, VAL158E
• B-C: ARG35B, ARG67B, ARG73B, ARG75B, ARG77B, ASN78B, ASP50C, ASP58C, GLN151B, GLN38B, GLU39B, GLU53C, GLU57C, GLU59C, GLU60C, GLU77B, GLU80B, ILE82B, LEU40B, LEU41B, LEU65B, LYS110B, LYS36B, LYS51C, LYS70B, LYS81B, MET32B, MET84B, PHE34B, PHE55C, PRO37B, PRO54C, SER72B, SER83B, THR74B, TRP141B, TRP56C, TYR52C, TYR76B, VAL66B, VAL79B
• B-D: ARG137B, ARG187B, ASN159B, ASP14D, ASP186B, ASP21B, GLU14D, GLU18B, GLU23B, GLY14D, GLY188B, GLY19B, ILE14D, LEU12D, LEU14D, LYS135B, LYS13D, LYS14D, LYS186B, PHE184B, SER11D, SER14D, THR14D, THR186B, TRP20B, VAL157B, VAL158B
• D-E: ALA132E, ALA1D, ALA22E, ALA27E, ARG131E, ARG137E, ARG206E, ARG236E, ARG4D, ARG50E, ASN159E, ASN1D, ASN204E, ASN205E, ASP116E, ASP125E, ASP14D, ASP1D, ASP21E, ASP243E, ASP49E, CYS122E, CYS1D, GLN127E, GLN209E, GLN239E, GLN244E, GLU14D, GLU1D, GLU23E, GLU8D, GLY133E, GLY136E, GLY14D, GLY1D, GLY246E, GLY25E, GLY2D, HIS119E, HIS1D, ILE118E, ILE14D, ILE162E, ILE238E, ILE242E, ILE26E, ILE47E, LEU105E, LEU123E, LEU129E, LEU12D, LEU130E, LEU14D, LEU160E, LEU1D, LEU3D, LEU46E, LEU53E, LEU6D, LYS107E, LYS10D, LYS126E, LYS135E, LYS13D, LYS14D, LYS186E, LYS1D, LYS202E, LYS235E, LYS240E, LYS24E, LYS9D, MET201E, MET210E, PHE114E, PHE184E, PHE199E, PHE1D, PHE204E, PHE232E, PHE245E, PHE7D, PRO111E, PRO113E, PRO120E, PRO124E, PRO161E, PRO204E, PRO28E, PRO5D, SER115E, SER11D, SER129E, SER14D, SER203E, SER48E, THR128E, THR139E, THR14D, THR1D, TRP207E, TRP20E, TRP237E, TRP29E, TRP51E, TYR117E, TYR134E, TYR14D, TYR208E, VAL112E, VAL121E, VAL138E, VAL157E, VAL158E, VAL200E, VAL241E, VAL52E, VAL79E
• E-F: ARG35E, ARG67E, ARG73E, ARG75E, ARG77E, ASN149E, ASN62E, ASN78E, ASP58F, ASP63E, GLN151E, GLN38E, GLU39E, GLU53F, GLU57F, GLU59F, GLU77E, GLU80E, ILE82E, LEU40E, LEU41E, LEU64E, LEU65E, LYS36E, LYS51F, LYS70E, LYS81E, MET32E, MET84E, PHE34E, PHE55F, PRO152E, PRO37E, PRO54F, SER36E, SER72E, SER83E, THR74E, TRP141E, TRP56F, TYR52F, TYR76E, VAL66E