3LU9

crystal structure of human thrombin mutant s195a in complex with the extracellular fragment of human par1

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 123
  • Norm. En. per Res.: -5.269
• 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	-141.428	-57.2526	187.042	-11.6386	119	31	4	19992	9	48	37
A-E	0.0	-9.703	-18.1596	-27.8626	21	0	0	825	0	26	27
A-F	0.0	0.0	-0.4326	-0.4326	2	0	0	48	0	0	2
B-C	-101.9294	-59.2054	-486.953	-648.0878	123	46	5	17951	6	30	30
B-E	-13.6348	-26.5562	-24.115	-64.306	25	6	0	1610	1	12	17
B-F	0.0	0.0	-23.4319	-23.4319	10	1	0	676	0	0	0
D-E	-122.8105	-62.9346	141.876	-43.8691	122	30	4	19755	8	46	37
E-F	-116.2265	-45.5861	-443.097	-604.9096	122	55	6	16571	4	29	26

Interface residues

• A-B: ALA113B, ALA132B, ALA1A, ALA22B, ARG126B, ARG137B, ARG14A, ARG1A, ARG206B, ARG4A, ARG50B, ASN159B, ASN1A, ASN204B, ASN205B, ASP116B, ASP125B, ASP14A, ASP1A, ASP21B, ASP243B, ASP49B, CYS122B, CYS1A, GLN131B, GLN1A, GLN209B, GLN239B, GLN244B, GLU13A, GLU14A, GLU1A, GLU23B, GLU8A, GLY133B, GLY136B, GLY19B, GLY1A, GLY25B, GLY2A, HIS119B, ILE118B, ILE14A, ILE162B, ILE238B, ILE242B, ILE24B, ILE47B, LEU105B, LEU123B, LEU129B, LEU12A, LEU130B, LEU14A, LEU160B, LEU3A, LEU46B, LEU53B, LEU6A, LYS107B, LYS10A, LYS135B, LYS14A, LYS186B, LYS202B, LYS235B, LYS236B, LYS240B, LYS9A, MET201B, MET210B, MET26B, PHE114B, PHE199B, PHE1A, PHE204B, PHE232B, PHE245B, PHE7A, PRO111B, PRO120B, PRO124B, PRO161B, PRO1A, PRO204B, PRO28B, PRO5A, SER115B, SER11A, SER129B, SER14A, SER1A, SER203B, SER20B, SER27B, SER48B, THR128B, THR139B, THR14A, THR1A, TRP207B, TRP237B, TRP29B, TRP51B, TYR117B, TYR134B, TYR14A, TYR184B, TYR1A, TYR208B, VAL112B, VAL121B, VAL138B, VAL157B, VAL158B, VAL200B, VAL231B, VAL241B, VAL52B
• A-E: ARG14A, ARG173E, ARG187E, ARG221E, ASP14A, ASP170E, ASP186E, ASP222E, GLU13A, GLU14A, GLU217E, GLY223E, ILE14A, LYS14A, LYS185E, LYS224E, PRO186E, SER14A, SER171E, THR14A, TYR225E
• A-F: ASP14A, THR37F
• B-C: ALA183B, ALA190B, ALA195B, ALA33C, ALA36C, ALA55B, ARG173B, ARG175B, ARG221B, ARG35B, ARG41C, ARG46C, ARG67B, ARG73B, ARG75B, ARG77B, ARG97B, ASN143B, ASN35C, ASN47C, ASN49C, ASN95B, ASN98B, ASP100B, ASP102B, ASP189B, ASP194B, ASP221B, ASP39C, ASP50C, CYS182B, CYS191B, CYS220B, CYS42B, CYS58B, GLN151B, GLN38B, GLU146B, GLU192B, GLU217B, GLU39B, GLU53C, GLU57C, GLU77B, GLU80B, GLU97B, GLY142B, GLY150B, GLY188B, GLY193B, GLY196B, GLY197B, GLY216B, GLY219B, GLY226B, GLY43B, HIS57B, ILE16B, ILE174B, ILE176B, ILE212B, ILE82B, LEU144B, LEU160B, LEU33B, LEU38C, LEU40B, LEU41B, LEU44C, LEU45C, LEU64B, LEU65B, LEU99B, LYS109B, LYS110B, LYS145B, LYS149B, LYS224B, LYS36B, LYS51C, LYS60B, LYS70B, LYS81B, MET180B, MET32B, MET84B, PHE227B, PHE34B, PHE43C, PHE55C, PHE60B, PRO152B, PRO37B, PRO40C, PRO48C, PRO54C, PRO60B, SER153B, SER214B, SER36B, SER42C, SER72B, SER83B, THR147B, THR172B, THR34C, THR37C, THR74B, TRP141B, TRP215B, TRP56C, TRP60B, TRP96B, TYR225B, TYR228B, TYR52C, TYR60B, TYR76B, TYR94B, VAL138B, VAL17B, VAL213B, VAL66B
• B-E: ARG173E, ARG175E, ARG187B, ASN159B, ASP170E, ASP186B, CYS168E, GLU186B, GLU18B, GLY133B, GLY184B, GLY186B, ILE174E, LEU160B, LYS135B, LYS169E, LYS185B, LYS186B, LYS224E, PRO161B, SER171E, SER20B, THR172E, TYR184B, VAL167E
• B-F: ALA33F, ASN35F, ASP186B, GLU186B, GLY186B, LYS185B, LYS186B, PRO186B, THR34F, TYR184B
• D-E: ALA113E, ALA132E, ALA1D, ALA22E, ARG126E, ARG137E, ARG14D, ARG1D, ARG206E, ARG4D, ARG50E, ASN159E, ASN1D, ASN204E, ASN205E, ASP116E, ASP125E, ASP14D, ASP1D, ASP21E, ASP243E, ASP49E, CYS122E, CYS1D, GLN131E, GLN1D, GLN209E, GLN239E, GLN244E, GLU127E, GLU13D, GLU14D, GLU1D, GLU23E, GLU8D, GLY133E, GLY136E, GLY14D, GLY19E, GLY1D, GLY246E, GLY25E, GLY2D, HIS119E, ILE118E, ILE14D, ILE162E, ILE238E, ILE242E, ILE24E, ILE47E, ILE79E, LEU105E, LEU123E, LEU129E, LEU12D, LEU130E, LEU14D, LEU160E, LEU3D, LEU46E, LEU53E, LEU6D, LYS107E, LYS10D, LYS135E, LYS14D, LYS186E, LYS202E, LYS235E, LYS236E, LYS240E, LYS9D, MET201E, MET210E, MET26E, PHE114E, PHE199E, PHE1D, PHE204E, PHE232E, PHE245E, PHE7D, PRO111E, PRO120E, PRO124E, PRO161E, PRO1D, PRO204E, PRO28E, PRO5D, SER115E, SER11D, SER129E, SER14D, SER1D, SER203E, SER20E, SER27E, SER48E, THR128E, THR14D, THR1D, TRP207E, TRP237E, TRP29E, TRP51E, TYR117E, TYR134E, TYR14D, TYR184E, TYR1D, TYR208E, VAL112E, VAL121E, VAL138E, VAL157E, VAL158E, VAL200E, VAL231E, VAL241E, VAL52E
• E-F: ALA183E, ALA190E, ALA195E, ALA33F, ALA36F, ALA55E, ARG173E, ARG175E, ARG221E, ARG35E, ARG41F, ARG46F, ARG67E, ARG73E, ARG75E, ARG77E, ARG97E, ASN143E, ASN35F, ASN47F, ASN49F, ASN95E, ASN98E, ASP100E, ASP102E, ASP189E, ASP194E, ASP221E, ASP39F, ASP50F, CYS182E, CYS191E, CYS220E, CYS42E, CYS58E, GLN151E, GLN38E, GLU146E, GLU192E, GLU217E, GLU39E, GLU53F, GLU57F, GLU77E, GLU80E, GLU97E, GLY142E, GLY150E, GLY188E, GLY193E, GLY196E, GLY197E, GLY216E, GLY219E, GLY226E, GLY43E, HIS57E, ILE16E, ILE174E, ILE176E, ILE82E, LEU144E, LEU160E, LEU33E, LEU38F, LEU40E, LEU41E, LEU44F, LEU45F, LEU59E, LEU65E, LEU99E, LYS109E, LYS110E, LYS145E, LYS224E, LYS36E, LYS51F, LYS60E, LYS70E, LYS81E, MET180E, MET32E, MET84E, PHE227E, PHE34E, PHE43F, PHE55F, PHE60E, PRO152E, PRO37E, PRO40F, PRO48F, PRO54F, PRO60E, SER153E, SER214E, SER36E, SER42F, SER72E, SER83E, THR147E, THR172E, THR34F, THR37F, THR54E, THR74E, TRP141E, TRP215E, TRP56F, TRP60E, TRP96E, TYR225E, TYR228E, TYR52F, TYR60E, TYR76E, TYR94E, VAL138E, VAL17E, VAL213E, VAL66E