2JER

agmatine deiminase of enterococcus faecalis catalyzing its reaction.

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 101
  • Norm. En. per Res.: -4.6875
• Hub Node: A(4)

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	-108.8015	-82.0526	-245.112	-435.9661	99	16	4	9733	6	33	43
A-D	-41.4533	-12.9209	-183.67	-238.0442	89	11	0	7168	1	31	30
A-E	-29.4931	-60.5999	-167.88	-257.9729	69	9	0	6850	4	44	37
A-F	0.0	22.3299	-73.9764	-51.6465	52	2	1	2643	0	8	24
B-C	-22.5293	5.3945	-46.8094	-63.9442	43	3	0	2236	0	22	24
B-D	0.0	0.0	14.9051	14.9051	16	11	0	627	0	1	4
B-E	0.0	21.7183	-73.6085	-51.8902	51	1	1	2598	0	8	23
B-F	-28.95	-65.7647	-168.188	-262.9027	68	9	0	6942	4	44	37
C-D	-100.5716	-81.1525	-259.952	-441.6761	98	12	5	9925	6	34	43
C-G	0.0	21.4778	-73.9414	-52.4637	48	1	1	2598	0	8	23
C-H	-29.7359	-54.7668	-170.409	-254.9117	69	9	0	6938	4	44	38
D-G	-26.9409	-64.3442	-163.534	-254.8192	69	12	0	6903	4	44	37
D-H	0.0	21.7072	-72.0085	-50.3013	50	1	1	2571	0	8	23
E-F	-119.3994	-82.475	-271.559	-473.4334	101	18	4	10474	6	34	43
G-H	-111.6443	-83.1397	-252.799	-447.583	98	17	4	9896	6	34	43

Interface residues

• A-B: ALA2A, ALA2B, ARG150A, ARG150B, ARG4A, ARG4B, ARG75A, ARG75B, ARG76A, ARG76B, ASN63A, ASN63B, ASN89A, ASN89B, ASN90A, ASN90B, ASP131A, ASP131B, ASP134A, ASP134B, ASP147A, ASP147B, CYS141A, CYS141B, GLN132A, GLN132B, GLN138A, GLN138B, GLN68A, GLN68B, GLN69A, GLN69B, GLN72A, GLN72B, GLU142A, GLU142B, GLU144A, GLU144B, GLU25A, GLU25B, GLU81A, GLU81B, GLU86A, GLU86B, HIS145A, HIS145B, ILE140A, ILE140B, ILE143A, ILE143B, ILE82A, ILE82B, LEU135A, LEU135B, LEU78A, LEU78B, LYS139A, LYS139B, LYS26A, LYS26B, LYS3A, LYS3B, MET62A, MET62B, MET87A, MET87B, PHE71A, PHE71B, PRO61A, PRO61B, PRO79A, PRO79B, PRO80A, PRO80B, SER148A, SER67A, SER67B, SER88A, SER88B, THR83A, THR83B, TRP28A, TRP28B, TYR85A, TYR85B, VAL136A, VAL136B, VAL146A, VAL146B, VAL64A, VAL64B, VAL65A, VAL65B, VAL66A, VAL66B, VAL6A, VAL6B, VAL84A, VAL84B
• A-D: ALA260D, ALA327A, ALA53A, ALA55A, ARG16D, ARG263D, ARG325A, ARG365A, ASN104D, ASN311A, ASN371D, ASN51A, ASN63A, ASP105D, ASP13D, ASP164D, ASP259D, ASP312A, ASP324A, GLN12D, GLN166D, GLN264D, GLN318A, GLN330A, GLN332A, GLN370D, GLN58A, GLU108D, GLU144A, GLU201D, GLU22D, GLU25A, GLU329A, GLU362A, GLU47A, GLU81A, GLY107D, GLY14D, GLY165D, GLY229D, GLY262D, GLY342A, GLY367D, GLY368D, HIS106D, HIS145A, ILE103D, ILE143A, ILE340A, ILE56A, ILE82A, LEU326A, LEU328A, LEU78A, LYS202D, LYS261D, LYS266D, LYS26A, LYS338A, LYS339A, LYS364A, LYS369D, LYS54A, MET62A, PHE21D, PHE59A, PRO228D, PRO336A, PRO61A, PRO79A, PRO80A, SER372D, SER373D, SER57A, THR258D, THR333A, THR50A, THR60A, THR83A, TRP28A, TYR85A, VAL27A, VAL314A, VAL316A, VAL331A, VAL341A, VAL366D, VAL64A, VAL84A
• A-E: ARG34A, ARG34E, ARG39A, ARG39E, ARG76A, ARG76E, ASN37A, ASN73A, ASN73E, ASP286A, ASP286E, ASP36A, ASP36E, ASP40A, ASP40E, CYS74A, CYS74E, GLN46A, GLN46E, GLN69A, GLN69E, GLN70A, GLN70E, GLN72A, GLN72E, GLN77A, GLN77E, GLU289A, GLU289E, GLU295A, GLU33A, GLU33E, GLU47A, GLU47E, GLY290A, GLY290E, GLY41A, GLY41E, GLY42A, GLY42E, ILE285A, ILE285E, LYS284A, LYS284E, LYS43A, LYS43E, PHE128A, PHE128E, PHE283A, PHE283E, PHE287A, PHE287E, PHE71A, PHE71E, PRO129A, PRO129E, PRO293A, PRO35A, PRO35E, PRO44A, PRO44E, THR291A, THR291E, TRP31A, TRP31E, TRP38A, TRP38E, VAL288A, VAL288E
• A-F: ALA118A, ALA118F, ARG150A, ARG150F, ARG4A, ARG4F, ASN117A, ASN117F, ASN90A, ASN90F, ASP131A, ASP131F, ASP133A, ASP133F, ASP134A, ASP134F, ASP152A, ASP152F, ASP153A, ASP153F, GLN132A, GLN132F, GLN184F, GLU179A, GLU289A, GLU289F, GLY120A, GLY120F, GLY121A, GLY121F, LEU122A, LEU122F, LEU135A, LEU135F, PHE116A, PHE116F, PHE128A, PHE128F, PRO129A, PRO129F, THR115A, THR115F, TRP130A, TRP130F, TYR127A, TYR127F, VAL123A, VAL123F, VAL155A, VAL155F, VAL288A, VAL288F
• B-C: ALA189B, ARG365C, ASN104B, ASN199B, ASN311C, ASP105C, ASP13B, ASP196B, ASP312C, ASP337C, GLN12B, GLN166C, GLN184B, GLN192B, GLN24C, GLU188B, GLU201B, GLU22C, GLU25C, GLY107C, GLY14B, GLY367C, GLY368C, GLY7B, HIS106B, HIS106C, ILE190B, LEU185B, LYS11B, LYS187B, LYS193B, LYS338C, LYS364C, PHE15B, PRO10B, PRO23C, PRO336C, PRO61C, SER186B, SER8B, THR9B, VAL366C, VAL6B
• B-D: ALA2B, ARG365B, ASN371D, ASP147B, GLN370D, GLU142B, GLU144B, GLU25B, GLU362B, HIS145B, ILE143B, LYS26B, LYS3B, SER372D, SER373D, VAL146B
• B-E: ALA118B, ALA118E, ARG150B, ARG150E, ARG4B, ARG4E, ASN117B, ASN117E, ASN90B, ASN90E, ASP131B, ASP131E, ASP133B, ASP133E, ASP134B, ASP134E, ASP152B, ASP152E, ASP153B, ASP153E, GLN132B, GLN132E, GLN184E, GLU179B, GLU289B, GLU289E, GLY120B, GLY121B, GLY121E, LEU122B, LEU122E, LEU135B, LEU135E, PHE116B, PHE116E, PHE128B, PHE128E, PRO129B, PRO129E, THR115B, THR115E, TRP130B, TRP130E, TYR127B, TYR127E, VAL123B, VAL123E, VAL155B, VAL155E, VAL288B, VAL288E
• B-F: ARG34B, ARG34F, ARG39B, ARG39F, ARG76B, ARG76F, ASN37B, ASN37F, ASN73B, ASN73F, ASP286B, ASP286F, ASP36B, ASP36F, ASP40B, ASP40F, CYS74B, CYS74F, GLN46B, GLN46F, GLN69B, GLN69F, GLN70B, GLN70F, GLN72B, GLN72F, GLN77B, GLN77F, GLU289B, GLU289F, GLU33B, GLU33F, GLU47B, GLU47F, GLY290B, GLY290F, GLY41B, GLY41F, GLY42B, GLY42F, ILE285B, ILE285F, LYS284B, LYS284F, LYS43B, LYS43F, PHE128B, PHE128F, PHE283B, PHE283F, PHE287B, PHE287F, PHE71B, PHE71F, PRO129B, PRO129F, PRO35B, PRO35F, PRO44B, PRO44F, THR291B, THR291F, TRP31B, TRP31F, TRP38B, TRP38F, VAL288B, VAL288F
• C-D: ALA2C, ALA2D, ARG150C, ARG150D, ARG4C, ARG4D, ARG75C, ARG75D, ARG76C, ARG76D, ASN63C, ASN63D, ASN89C, ASN89D, ASN90C, ASN90D, ASP131C, ASP131D, ASP134C, ASP134D, ASP147C, ASP147D, CYS141C, CYS141D, GLN132C, GLN132D, GLN138C, GLN138D, GLN68C, GLN68D, GLN69C, GLN69D, GLN72C, GLN72D, GLU142C, GLU142D, GLU144C, GLU144D, GLU25C, GLU25D, GLU81C, GLU81D, GLU86C, GLU86D, HIS145C, HIS145D, ILE140C, ILE140D, ILE143C, ILE143D, ILE82C, ILE82D, LEU135C, LEU135D, LEU78C, LEU78D, LYS139C, LYS139D, LYS26C, LYS26D, LYS3C, LYS3D, MET62C, MET62D, MET87C, MET87D, PHE71C, PHE71D, PRO61C, PRO61D, PRO79C, PRO79D, PRO80C, PRO80D, SER148C, SER148D, SER67C, SER67D, SER88C, SER88D, THR83C, THR83D, TRP28C, TRP28D, TYR85C, TYR85D, VAL136C, VAL136D, VAL146C, VAL146D, VAL64C, VAL64D, VAL65C, VAL65D, VAL66C, VAL66D, VAL84C, VAL84D
• C-G: ALA118C, ALA118G, ARG150C, ARG150G, ARG4C, ARG4G, ASN117C, ASN117G, ASN90C, ASN90G, ASP131C, ASP131G, ASP133C, ASP133G, ASP134C, ASP134G, ASP152C, ASP152G, GLN132C, GLN132G, GLN184G, GLU179C, GLU289C, GLU289G, GLY121C, GLY121G, LEU122C, LEU122G, LEU135C, LEU135G, PHE116C, PHE116G, PHE128C, PHE128G, PRO129C, PRO129G, THR115C, THR115G, TRP130C, TRP130G, TYR127C, TYR127G, VAL123C, VAL123G, VAL155C, VAL155G, VAL288C, VAL288G
• C-H: ARG34C, ARG34H, ARG39C, ARG39H, ARG75C, ARG76C, ARG76H, ASN37C, ASN73C, ASN73H, ASP286C, ASP286H, ASP36C, ASP36H, ASP40C, ASP40H, CYS74C, CYS74H, GLN46C, GLN46H, GLN69C, GLN69H, GLN70C, GLN70H, GLN72C, GLN72H, GLN77C, GLN77H, GLU289C, GLU289H, GLU295H, GLU33C, GLU33H, GLU47C, GLU47H, GLY290C, GLY290H, GLY41C, GLY41H, GLY42C, GLY42H, ILE285C, ILE285H, LYS284C, LYS284H, LYS43C, LYS43H, PHE128C, PHE128H, PHE283C, PHE283H, PHE287C, PHE287H, PHE71C, PHE71H, PRO129C, PRO129H, PRO35C, PRO35H, PRO44C, PRO44H, THR291C, THR291H, TRP31C, TRP31H, TRP38C, TRP38H, VAL288C, VAL288H
• D-G: ARG34D, ARG34G, ARG39D, ARG39G, ARG76D, ARG76G, ASN37D, ASN37G, ASN73D, ASN73G, ASP286D, ASP286G, ASP36D, ASP36G, ASP40D, ASP40G, CYS74D, CYS74G, GLN46D, GLN46G, GLN69D, GLN69G, GLN70D, GLN70G, GLN72D, GLN72G, GLN77D, GLN77G, GLU289D, GLU289G, GLU33D, GLU33G, GLU47D, GLU47G, GLY290D, GLY290G, GLY41D, GLY41G, GLY42D, GLY42G, ILE285D, ILE285G, LYS284D, LYS284G, LYS43D, LYS43G, PHE128D, PHE128G, PHE283D, PHE283G, PHE287D, PHE287G, PHE71D, PHE71G, PRO129D, PRO129G, PRO293G, PRO35D, PRO35G, PRO44D, PRO44G, THR291D, THR291G, TRP31D, TRP31G, TRP38D, TRP38G, VAL288D, VAL288G
• D-H: ALA118D, ALA118H, ARG150D, ARG150H, ARG4D, ARG4H, ASN117D, ASN117H, ASN90D, ASN90H, ASP131D, ASP131H, ASP133D, ASP133H, ASP134D, ASP134H, ASP152D, ASP152H, ASP153D, ASP153H, GLN132D, GLN132H, GLN184H, GLU179D, GLU289D, GLU289H, GLY121D, GLY121H, LEU122D, LEU122H, LEU135D, LEU135H, PHE116D, PHE116H, PHE128D, PHE128H, PRO129D, PRO129H, THR115D, THR115H, TRP130D, TRP130H, TYR127D, TYR127H, VAL123D, VAL123H, VAL155D, VAL155H, VAL288D, VAL288H
• E-F: ALA2E, ALA2F, ARG150E, ARG150F, ARG4E, ARG4F, ARG75E, ARG75F, ARG76E, ARG76F, ASN63E, ASN63F, ASN89E, ASN89F, ASN90E, ASN90F, ASP131E, ASP131F, ASP134E, ASP134F, ASP147E, ASP147F, CYS141E, CYS141F, GLN132E, GLN132F, GLN138E, GLN138F, GLN68E, GLN68F, GLN69E, GLN69F, GLN72E, GLN72F, GLU142E, GLU142F, GLU144E, GLU144F, GLU25E, GLU25F, GLU81E, GLU81F, GLU86E, GLU86F, HIS145E, HIS145F, ILE140E, ILE140F, ILE143E, ILE143F, ILE82E, ILE82F, LEU135E, LEU135F, LEU78E, LEU78F, LYS139E, LYS139F, LYS26E, LYS26F, LYS3E, LYS3F, MET1E, MET62E, MET62F, MET87E, MET87F, PHE71E, PHE71F, PRO61E, PRO61F, PRO79E, PRO79F, PRO80E, PRO80F, SER148E, SER57F, SER67E, SER67F, SER88E, SER88F, THR60F, THR83E, THR83F, TRP28E, TRP28F, TYR85E, TYR85F, VAL136E, VAL136F, VAL146E, VAL146F, VAL64E, VAL64F, VAL65E, VAL65F, VAL66E, VAL66F, VAL6E, VAL84E, VAL84F
• G-H: ALA2G, ALA2H, ARG150G, ARG150H, ARG4G, ARG4H, ARG75G, ARG75H, ARG76G, ARG76H, ASN63G, ASN63H, ASN89G, ASN89H, ASN90G, ASN90H, ASP131G, ASP131H, ASP134G, ASP134H, ASP147G, ASP147H, CYS141G, CYS141H, GLN132G, GLN132H, GLN138G, GLN138H, GLN68G, GLN68H, GLN69G, GLN69H, GLN72G, GLN72H, GLU142G, GLU142H, GLU144G, GLU144H, GLU25G, GLU25H, GLU81G, GLU81H, GLU86G, GLU86H, HIS145G, HIS145H, ILE140G, ILE140H, ILE143G, ILE143H, ILE82G, ILE82H, LEU135G, LEU135H, LEU78G, LEU78H, LYS139G, LYS139H, LYS26G, LYS26H, LYS3G, LYS3H, MET62G, MET62H, MET87G, MET87H, PHE71G, PHE71H, PRO61G, PRO61H, PRO79G, PRO79H, PRO80G, PRO80H, SER67G, SER67H, SER88G, SER88H, THR83G, THR83H, TRP28G, TRP28H, TYR85G, TYR85H, VAL136G, VAL136H, VAL146G, VAL146H, VAL64G, VAL64H, VAL65G, VAL65H, VAL66G, VAL66H, VAL6G, VAL6H, VAL84G, VAL84H