2QQD

n47a mutant of pyruvoyl-dependent arginine decarboxylase from methanococcus jannashii

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 117
  • Norm. En. per Res.: -7.5249
• Hub Node: B(5)

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	-280.1578	-4.4413	-595.816	-880.415	117	43	42	21805	1	8	7
A-C	-31.446	13.3154	-101.36	-119.4906	43	5	9	4063	0	0	3
A-D	-23.8169	2.7471	-63.1212	-84.191	31	2	4	2587	0	0	5
A-E	-18.6699	-32.5551	-135.423	-186.648	58	5	2	4993	4	9	7
B-C	-27.9354	-20.4136	-173.472	-221.8211	71	5	2	6483	4	8	6
B-D	0.0	0.0	-54.2836	-54.2836	31	1	5	2476	0	0	0
B-E	0.0	0.0	-34.4587	-34.4587	27	4	0	1662	0	0	0
B-F	-8.2517	-1.1884	-75.6822	-85.1223	64	2	0	3943	1	20	26
B-G	0.0	0.0	-9.6722	-9.6722	12	0	0	371	0	5	0
C-D	-32.5409	-30.6086	-255.81	-318.9595	91	19	10	10447	4	11	12
C-E	0.0	0.0	-62.2799	-62.2799	36	1	2	2650	0	0	0
D-E	-282.3842	-0.6164	-613.011	-896.0116	126	42	44	23205	1	8	7
F-G	-28.4483	-27.915	-220.237	-276.6002	83	9	9	9277	4	9	8
F-H	-14.8891	-20.7477	-230.429	-266.0658	87	17	8	9466	4	8	7
G-H	-40.2405	-23.7394	-216.61	-280.5899	87	17	9	9357	4	9	7

Interface residues

• A-B: ALA145B, ALA156B, ALA158B, ALA159B, ALA160B, ALA161B, ALA22A, ALA33A, ALA37A, ALA41A, ALA47A, ALA59B, ALA71B, ALA76B, ALA91B, ALA92B, ALA96B, ARG124B, ARG50A, ASN16A, ASN32A, ASN40A, ASN45A, ASP35A, ASP83B, CYS104B, CYS155B, GLU109B, GLU111B, GLU120B, GLU142B, GLU147B, GLU151B, GLU26A, GLU28A, GLU58B, GLU60B, GLY105B, GLY154B, GLY23A, GLY27A, GLY36A, GLY42A, GLY44A, GLY70B, GLY78B, GLY86B, HIS148B, ILE107B, ILE141B, ILE144B, ILE43A, ILE49A, ILE51A, ILE54B, ILE61B, ILE80B, ILE81B, ILE89B, ILE93B, ILE97B, LEU14A, LEU153B, LEU162B, LEU20A, LEU31A, LEU38A, LEU39A, LEU48A, LEU64B, LEU67B, LEU72B, LYS13A, LYS152B, LYS165B, LYS66B, MET108B, MET55B, MET69B, PHE12A, PHE157B, PHE34A, PRO15A, PRO30A, PRO56B, PRO57B, PRO63B, PRO65B, PRO68B, PRO74B, PRO85B, SER143B, SER19A, SER24A, SER25A, SER52A, SER82B, SER90B, SER94B, THR149B, THR17A, THR29A, THR75B, TRP163B, TYR11A, TYR164B, TYR77B, TYR79B, VAL123B, VAL146B, VAL150B, VAL18A, VAL21A, VAL46A, VAL62B, VAL73B, VAL95B
• A-C: ALA10A, ALA10C, ALA47C, ALA71C, ARG50A, ARG50C, ASP35C, GLY70C, HIS9A, HIS9C, ILE43C, ILE49A, ILE49C, ILE51A, ILE51C, LEU14A, LEU31C, LEU38C, LEU48C, LEU67C, LEU72C, LEU8A, LEU8C, LYS13A, LYS13C, MET69C, PHE12A, PHE12C, PHE157C, PHE34C, PRO15A, PRO68C, PRO7C, SER52A, THR75C, TRP163C, TYR11A, TYR11C, TYR164C, TYR77C, TYR79C, VAL46C, VAL73C
• A-D: ALA10A, ALA10D, ALA47A, ARG50A, ARG50D, ASN16A, ASN6D, ASP35A, HIS9D, ILE43A, ILE49A, ILE49D, ILE51A, ILE51D, LEU14A, LEU14D, LEU31A, LEU38A, LEU48A, LEU8D, LYS13A, PHE12A, PHE12D, PHE34A, PRO15A, PRO15D, PRO7D, SER52D, TYR11A, TYR11D, VAL46A
• A-E: ALA127E, ALA33A, ALA37A, ALA47A, ALA76E, ARG134E, ASN32A, ASN40A, ASN45A, ASP35A, CYS104E, GLU109E, GLU111E, GLU125E, GLU132E, GLU26A, GLU28A, GLY105E, GLY130E, GLY135E, GLY27A, GLY36A, GLY44A, GLY78E, ILE107E, ILE129E, ILE43A, ILE49A, ILE54E, ILE93E, LEU103E, LEU106E, LEU162E, LEU31A, LEU38A, LEU39A, LEU48A, LYS128E, MET108E, MET126E, MET133E, MET55E, PHE131E, PHE34A, PRO30A, PRO56E, PRO57E, PRO74E, SER25A, SER94E, THR122E, THR29A, THR75E, TRP136E, TYR110E, TYR77E, VAL123E, VAL46A
• B-C: ALA127B, ALA33C, ALA37C, ALA47C, ALA59B, ALA71C, ALA76B, ARG134B, ASN32C, ASN40C, ASN45C, ASP35C, CYS104B, GLU109B, GLU111B, GLU125B, GLU132B, GLU26C, GLU28C, GLY105B, GLY130B, GLY135B, GLY27C, GLY36C, GLY44C, GLY70C, GLY78B, ILE107B, ILE129B, ILE43C, ILE49C, ILE54B, ILE93B, LEU103B, LEU106B, LEU162B, LEU31C, LEU38C, LEU39C, LEU48C, LEU72B, LEU72C, LYS128B, MET108B, MET126B, MET133B, MET55B, MET69C, PHE12C, PHE131B, PHE34C, PRO30C, PRO56B, PRO57B, PRO68C, PRO74B, PRO98B, SER102B, SER25C, THR122B, THR29C, THR75B, TRP136B, TRP163B, TYR110B, TYR164B, TYR77B, VAL123B, VAL46C, VAL73B, VAL73C
• B-D: ALA10D, ALA71B, ARG50D, ASN6D, GLY70B, HIS9D, ILE49D, ILE51D, ILE5D, LEU14D, LEU162B, LEU67B, LEU72B, LEU8D, LYS13D, LYS165B, MET69B, PHE12D, PHE157B, PRO15D, PRO68B, PRO74B, PRO7D, SER52D, THR75B, TRP163B, TYR11D, TYR164B, TYR77B, TYR79B, VAL73B
• B-E: ALA59E, ALA71B, ARG134E, ASP100E, CYS104E, CYS155B, GLY105E, GLY70B, ILE54E, LEU103E, LEU162E, LEU72B, MET133E, MET55E, MET69B, PRO56E, PRO57E, PRO68B, PRO74E, PRO98E, SER102E, THR75E, TRP136E, TRP163E, TYR164E, VAL73B, VAL73E
• B-F: ALA145B, ALA145F, ALA22F, ALA41F, ALA59B, ARG124B, ARG140B, ASN40F, ASN45F, ASP100B, ASP139B, GLU120B, GLU132B, GLU137B, GLU142B, GLU142F, GLU147F, GLU26F, GLU60B, GLU60F, GLY23F, GLY36F, GLY42F, GLY44F, ILE141B, ILE144B, ILE144F, ILE43F, ILE61B, ILE61F, ILE93F, ILE97B, LEU138B, LEU20F, LEU38F, LEU39F, LEU64F, LEU67F, LYS101B, LYS116B, LYS116F, LYS117B, LYS121B, LYS128B, LYS165B, LYS66F, LYS99B, PHE131B, PRO63B, PRO63F, PRO65F, SER102B, SER143B, SER143F, SER19F, SER24F, SER25F, TRP136B, VAL146F, VAL18F, VAL21F, VAL62B, VAL62F, VAL95F
• B-G: ARG134G, GLU132G, GLY135G, LEU64B, LYS116B, MET133G, PHE131G, PRO63B, PRO65B, SER102G, TRP136G, VAL62B
• C-D: ALA10C, ALA10D, ALA127C, ALA33D, ALA37D, ALA3D, ALA47C, ALA47D, ALA71C, ALA76C, ARG134C, ARG50C, ARG50D, ASN16C, ASN32D, ASN40D, ASN45D, ASN6D, ASP35D, CYS104C, GLU109C, GLU111C, GLU125C, GLU132C, GLU26D, GLU28D, GLU4D, GLY105C, GLY130C, GLY135C, GLY27D, GLY36D, GLY44D, GLY78C, HIS9C, HIS9D, ILE107C, ILE129C, ILE43D, ILE49C, ILE49D, ILE51C, ILE54C, ILE5D, ILE93C, LEU103C, LEU106C, LEU14C, LEU162C, LEU31D, LEU38D, LEU39D, LEU48C, LEU48D, LEU72C, LEU8D, LYS128C, LYS13C, LYS13D, MET108C, MET126C, MET133C, MET55C, PHE12C, PHE12D, PHE131C, PHE34D, PRO15C, PRO30D, PRO56C, PRO57C, PRO68C, PRO74C, PRO7D, SER25D, SER52C, SER53C, SER94C, THR122C, THR29D, THR75C, TRP136C, TRP163C, TYR110C, TYR11C, TYR11D, TYR164C, TYR77C, VAL123C, VAL46D, VAL73C
• C-E: ALA59C, ALA71E, ARG134C, ARG50C, CYS104C, GLY105C, GLY70E, ILE49C, ILE51C, ILE54C, LEU103C, LEU14C, LEU162C, LEU72E, LYS101C, LYS13C, MET55C, MET69E, PHE12C, PRO15C, PRO56C, PRO57C, PRO68E, PRO74C, PRO74E, PRO98C, SER102C, SER52C, THR75C, THR75E, TRP136C, TRP163E, TYR164C, TYR77E, TYR79E, VAL73E
• D-E: ALA10D, ALA145E, ALA156E, ALA158E, ALA159E, ALA160E, ALA161E, ALA22D, ALA33D, ALA37D, ALA3D, ALA41D, ALA47D, ALA59E, ALA71E, ALA76E, ALA91E, ALA92E, ALA96E, ARG124E, ARG140E, ARG50D, ASN16D, ASN32D, ASN40D, ASN45D, ASN6D, ASP35D, ASP83E, CYS155E, GLU109E, GLU111E, GLU120E, GLU142E, GLU147E, GLU151E, GLU26D, GLU28D, GLU4D, GLU58E, GLU60E, GLY105E, GLY154E, GLY23D, GLY27D, GLY36D, GLY42D, GLY44D, GLY70E, GLY78E, GLY86E, HIS148E, HIS9D, ILE107E, ILE141E, ILE144E, ILE43D, ILE49D, ILE51D, ILE54E, ILE5D, ILE61E, ILE80E, ILE81E, ILE89E, ILE93E, ILE97E, LEU106E, LEU14D, LEU153E, LEU162E, LEU20D, LEU31D, LEU38D, LEU39D, LEU48D, LEU64E, LEU67E, LEU72E, LEU8D, LYS116E, LYS13D, LYS152E, LYS165E, LYS66E, MET108E, MET55E, MET69E, PHE12D, PHE157E, PHE34D, PRO15D, PRO30D, PRO56E, PRO57E, PRO63E, PRO65E, PRO68E, PRO74E, PRO7D, PRO85E, SER143E, SER19D, SER24D, SER25D, SER52D, SER82E, SER90E, SER94E, THR149E, THR17D, THR29D, THR75E, TRP163E, TYR164E, TYR77E, TYR79E, VAL123E, VAL146E, VAL150E, VAL18D, VAL21D, VAL46D, VAL62E, VAL73E, VAL95E
• F-G: ALA127G, ALA33F, ALA37F, ALA47F, ALA59G, ALA71F, ALA76G, ARG134G, ARG50F, ARG50G, ASN32F, ASN40F, ASN45F, ASP35F, CYS104G, GLU109G, GLU111G, GLU125G, GLU132G, GLU26F, GLU28F, GLY105G, GLY130G, GLY135G, GLY27F, GLY36F, GLY44F, GLY70F, GLY78G, ILE107G, ILE129G, ILE43F, ILE49F, ILE49G, ILE51F, ILE51G, ILE54G, ILE93G, LEU103G, LEU106G, LEU14G, LEU162G, LEU31F, LEU38F, LEU39F, LEU48F, LEU67F, LEU72F, LYS128G, MET108G, MET126G, MET133G, MET55G, MET69F, PHE131G, PHE157F, PHE34F, PRO15G, PRO30F, PRO56G, PRO57G, PRO68F, PRO74G, SER102G, SER25F, SER52G, SER53G, SER94G, THR122G, THR29F, THR75F, THR75G, TRP136G, TRP163F, TYR110G, TYR164G, TYR77F, TYR77G, TYR79F, VAL123G, VAL46F, VAL73F, VAL73G
• F-H: ALA127F, ALA33H, ALA37H, ALA47H, ALA59F, ALA71H, ALA76F, ARG134F, ARG50F, ARG50H, ASN32H, ASN40H, ASN45H, ASP35H, CYS104F, GLU109F, GLU111F, GLU125F, GLU132F, GLU26H, GLU28H, GLU58F, GLY105F, GLY130F, GLY135F, GLY27H, GLY36H, GLY44H, GLY70H, GLY78F, ILE107F, ILE129F, ILE43H, ILE49F, ILE49H, ILE51F, ILE51H, ILE54F, ILE93F, LEU103F, LEU106F, LEU14F, LEU162F, LEU31H, LEU38H, LEU39H, LEU48H, LEU67H, LEU72H, LYS101F, LYS128F, MET108F, MET126F, MET133F, MET55F, MET69H, PHE131F, PHE157H, PHE34H, PRO15F, PRO30H, PRO56F, PRO57F, PRO68H, PRO74F, PRO98F, SER102F, SER24H, SER25H, SER52F, SER53F, SER94F, THR122F, THR29H, THR75F, THR75H, TRP136F, TRP163F, TRP163H, TYR110F, TYR164F, TYR77F, TYR77H, VAL123F, VAL46H, VAL73F, VAL73H
• G-H: ALA127H, ALA33G, ALA37G, ALA47G, ALA59H, ALA71G, ALA76H, ARG134H, ARG50G, ARG50H, ASN32G, ASN40G, ASN45G, ASP100H, ASP35G, CYS104H, GLU109H, GLU111H, GLU125H, GLU132H, GLU26G, GLU28G, GLY105H, GLY130H, GLY135H, GLY27G, GLY36G, GLY44G, GLY70G, GLY78H, ILE107H, ILE129H, ILE43G, ILE49G, ILE49H, ILE51G, ILE51H, ILE54H, ILE93H, LEU103H, LEU106H, LEU14H, LEU162H, LEU31G, LEU38G, LEU39G, LEU48G, LEU67G, LEU72G, LYS101H, LYS128H, LYS13H, MET108H, MET126H, MET133H, MET55H, MET69G, PHE131H, PHE157G, PHE34G, PRO15H, PRO30G, PRO56H, PRO57H, PRO68G, PRO74H, PRO98H, SER102H, SER25G, SER52H, SER53H, SER94H, THR122H, THR29G, THR75G, THR75H, TRP136H, TRP163G, TRP163H, TYR110H, TYR164H, TYR77G, TYR77H, TYR79G, VAL123H, VAL46G, VAL73G