3IPR

crystal structure of the enterococcus faecalis gluconate specific eiia phosphotransferase system component

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 174
  • Norm. En. per Res.: -3.9137
• 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	-135.104	-3.9675	-541.909	-680.9805	174	25	23	22811	0	16	24
A-D	0.0	7.9675	-0.7792	7.1883	6	0	0	87	0	4	4
A-F	-28.9177	22.4274	-99.7605	-106.2508	48	3	4	4349	0	4	6
B-E	0.0	0.0	-29.4161	-29.4161	22	5	1	1257	0	0	0
B-F	0.0	0.0	-16.6639	-16.6639	14	0	0	690	0	0	0
C-D	-108.973	3.6139	-539.35	-644.7092	177	24	24	22978	0	16	23
C-F	0.0	11.6314	-4.1301	7.5013	14	0	0	342	0	5	4
D-F	0.0	0.0	-0.0088	-0.0088	4	0	0	8	0	2	0
E-F	-121.3658	-1.1181	-548.845	-671.3289	175	36	23	23234	0	16	26

Interface residues

• A-B: ALA116A, ALA116B, ALA118B, ALA119A, ALA119B, ALA11A, ALA11B, ALA121B, ALA124A, ALA124B, ALA132A, ALA132B, ALA16A, ALA16B, ALA19A, ALA19B, ALA20A, ALA20B, ALA70A, ALA70B, ALA76A, ALA76B, ALA86A, ASN34A, ASN34B, ASN36A, ASN36B, ASN81A, ASN81B, ASN98A, ASN98B, ASP134A, ASP134B, ASP14A, ASP14B, ASP18A, ASP18B, ASP39A, ASP39B, ASP66A, ASP66B, GLN120A, GLN120B, GLN125A, GLN125B, GLN131A, GLN131B, GLN88A, GLN88B, GLU104A, GLU104B, GLU128A, GLU128B, GLU82A, GLU82B, GLU84A, GLY10A, GLY10B, GLY126A, GLY126B, GLY15A, GLY15B, GLY25A, GLY25B, GLY38A, GLY38B, GLY96A, GLY96B, HIS9A, HIS9B, ILE115A, ILE115B, ILE122A, ILE122B, ILE135A, ILE135B, ILE23A, ILE23B, ILE6A, ILE6B, ILE80A, ILE80B, ILE91A, ILE91B, LEU103A, LEU103B, LEU12A, LEU12B, LEU35A, LEU35B, LEU62A, LEU62B, LEU67A, LEU67B, LEU68A, LEU68B, LEU78A, LEU78B, LEU83A, LEU83B, LEU87A, LEU87B, LEU99A, LEU99B, LYS127A, LYS127B, LYS17A, LYS17B, LYS89A, LYS89B, LYS90A, LYS90B, MET101A, MET101B, MET137A, MET137B, MET24A, MET24B, MET64A, MET64B, PHE92A, PHE92B, PRO100A, PRO100B, PRO72A, PRO72B, PRO85A, PRO85B, SER129A, SER129B, SER136A, SER136B, SER139B, SER13A, SER13B, SER37A, SER37B, SER69A, SER69B, SER71A, SER71B, SER95A, SER95B, THR138B, THR21A, THR21B, THR8A, THR8B, THR97A, THR97B, TRP133A, TRP133B, TYR73A, TYR73B, VAL102A, VAL102B, VAL123A, VAL123B, VAL130A, VAL130B, VAL22A, VAL22B, VAL63A, VAL63B, VAL65A, VAL65B, VAL77A, VAL77B, VAL79A, VAL79B, VAL93A, VAL93B, VAL94A, VAL94B
• A-D: ASN54A, GLN120D, GLU117D, GLU53A, GLU84A, LYS49A
• A-F: ALA20F, ALA26F, ALA43A, ALA70A, ALA76A, ASN107F, ASN29F, ASN74A, ASN81A, ASP39A, ASP40A, ASP59F, GLN109F, GLN42A, GLN57F, GLN75A, GLU28F, GLU82A, GLY112F, GLY25F, GLY45A, GLY46A, GLY58F, HIS108F, ILE106F, ILE23F, ILE30F, ILE80A, LEU110F, LEU111F, LEU2F, LEU35A, LEU44A, LEU68A, LEU78A, LYS17F, MET1F, MET24F, PRO72A, SER69A, SER71A, THR113F, THR21F, THR27F, TYR73A, VAL41A, VAL77A, VAL79A
• B-E: ALA70E, ASN36E, ASN74E, ASP39E, ASP40E, GLN42E, GLN75E, GLY10E, GLY38E, HIS9E, LEU35E, LEU44E, MET137B, PHE140B, PRO72E, SER136B, SER139B, SER37E, SER71E, THR138B, TRP133B, VAL41E
• B-F: ALA19F, ALA20F, ALA26F, GLY25F, ILE135B, ILE23F, MET137B, MET24F, PHE140B, SER139B, THR138B, THR21F, TRP133B, VAL22F
• C-D: ALA116C, ALA116D, ALA118D, ALA119C, ALA119D, ALA11C, ALA11D, ALA121D, ALA124C, ALA124D, ALA132C, ALA132D, ALA16C, ALA16D, ALA19C, ALA19D, ALA20C, ALA20D, ALA70C, ALA70D, ALA76C, ALA76D, ALA86C, ALA86D, ASN34C, ASN34D, ASN36C, ASN36D, ASN74D, ASN81C, ASN81D, ASN98C, ASN98D, ASP134C, ASP134D, ASP14C, ASP14D, ASP18C, ASP18D, ASP39C, ASP39D, ASP66C, ASP66D, GLN120C, GLN120D, GLN125C, GLN125D, GLN131C, GLN131D, GLN88C, GLN88D, GLU104C, GLU104D, GLU128C, GLU128D, GLU82C, GLU82D, GLU84C, GLY10C, GLY10D, GLY126C, GLY126D, GLY15C, GLY15D, GLY25C, GLY25D, GLY38C, GLY38D, GLY96C, GLY96D, HIS9C, HIS9D, ILE115C, ILE115D, ILE122C, ILE122D, ILE135C, ILE135D, ILE23C, ILE23D, ILE6C, ILE6D, ILE80C, ILE80D, ILE91C, ILE91D, LEU103C, LEU103D, LEU12C, LEU12D, LEU35C, LEU35D, LEU62C, LEU62D, LEU67C, LEU67D, LEU68C, LEU68D, LEU78C, LEU78D, LEU83C, LEU83D, LEU87C, LEU87D, LEU99C, LEU99D, LYS127C, LYS127D, LYS17C, LYS17D, LYS89C, LYS89D, LYS90C, LYS90D, MET101C, MET101D, MET137C, MET137D, MET24C, MET24D, MET64C, MET64D, PHE92C, PHE92D, PRO100C, PRO100D, PRO72C, PRO72D, PRO85C, PRO85D, SER129C, SER129D, SER136C, SER136D, SER139C, SER139D, SER13C, SER13D, SER37C, SER37D, SER69C, SER69D, SER71C, SER71D, SER95C, SER95D, THR138C, THR138D, THR21C, THR21D, THR8C, THR8D, THR97C, THR97D, TRP133C, TRP133D, TYR73C, TYR73D, VAL102C, VAL102D, VAL123C, VAL123D, VAL130C, VAL130D, VAL22C, VAL22D, VAL63C, VAL63D, VAL65C, VAL65D, VAL77C, VAL77D, VAL79D, VAL93C, VAL93D, VAL94C, VAL94D
• C-F: ALA124C, ALA86F, GLN120C, GLN125C, GLU117C, GLU117F, GLU128C, GLY112F, LYS127C, LYS89F, LYS90F, PRO114F, THR113C, THR113F
• D-F: LEU111F, LYS127D, PRO114F, THR113F
• E-F: ALA116E, ALA116F, ALA118E, ALA118F, ALA119E, ALA119F, ALA11E, ALA11F, ALA124E, ALA124F, ALA132E, ALA132F, ALA16E, ALA16F, ALA19E, ALA19F, ALA20E, ALA20F, ALA70E, ALA70F, ALA76E, ALA76F, ALA86E, ALA86F, ASN34E, ASN34F, ASN36E, ASN36F, ASN81E, ASN81F, ASN98E, ASN98F, ASP134E, ASP134F, ASP14E, ASP14F, ASP18E, ASP18F, ASP39E, ASP39F, ASP66E, ASP66F, GLN120E, GLN120F, GLN125E, GLN125F, GLN131E, GLN131F, GLN88E, GLN88F, GLU104E, GLU104F, GLU128E, GLU128F, GLU82E, GLU82F, GLU84F, GLY10E, GLY10F, GLY126E, GLY126F, GLY15E, GLY15F, GLY25E, GLY25F, GLY38E, GLY38F, GLY96E, GLY96F, HIS9E, HIS9F, ILE115E, ILE115F, ILE122E, ILE122F, ILE135E, ILE135F, ILE23E, ILE23F, ILE6E, ILE6F, ILE80E, ILE80F, ILE91E, ILE91F, LEU103E, LEU103F, LEU12E, LEU12F, LEU35E, LEU35F, LEU62E, LEU62F, LEU67E, LEU67F, LEU68E, LEU68F, LEU78E, LEU78F, LEU83E, LEU83F, LEU87E, LEU87F, LEU99E, LEU99F, LYS127E, LYS127F, LYS17E, LYS17F, LYS89E, LYS89F, LYS90E, LYS90F, MET101E, MET101F, MET137E, MET137F, MET24E, MET64E, MET64F, PHE92E, PHE92F, PRO100E, PRO100F, PRO72E, PRO72F, PRO85E, PRO85F, SER129E, SER129F, SER136E, SER136F, SER139E, SER139F, SER13E, SER13F, SER37E, SER37F, SER69E, SER69F, SER71E, SER71F, SER95E, SER95F, THR138E, THR138F, THR21E, THR21F, THR8E, THR8F, THR97E, THR97F, TRP133E, TRP133F, TYR73E, TYR73F, VAL102E, VAL102F, VAL123E, VAL123F, VAL130E, VAL130F, VAL22E, VAL22F, VAL63E, VAL63F, VAL65E, VAL65F, VAL77E, VAL77F, VAL79E, VAL93E, VAL93F, VAL94E, VAL94F