3LWF

crystal structure of putative transcriptional regulator (np_470886.1) from listeria innocua at 2.06 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 162
  • Norm. En. per Res.: -7.6272
• Hub Node: A(2)

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	0.0	-5.7011	-69.1249	-74.826	63	0	1	3892	0	16	16
A-D	-20.568	10.4479	-81.5588	-91.6789	23	4	0	2256	0	6	6
B-C	-23.6699	12.8593	-80.539	-91.3497	24	5	0	2224	0	6	6
B-D	-158.6457	-261.5093	-815.458	-1235.6129	162	27	36	30719	21	72	56
C-D	0.0	-5.7345	-66.6139	-72.3484	62	0	1	3778	0	14	15

Interface residues

• A-B: ALA52A, ALA52B, ARG108A, ARG108B, ARG112A, ARG112B, ARG50A, ARG50B, ARG81A, ARG81B, ASN51A, ASN51B, ASP78A, ASP78B, GLN44A, GLN44B, GLU43A, GLU43B, GLU84A, GLU84B, GLY47A, GLY47B, GLY53A, GLY53B, GLY77A, GLY77B, GLY85A, GLY85B, HIS40A, HIS40B, ILE46A, ILE46B, ILE54A, ILE54B, ILE79A, ILE80A, ILE80B, ILE87A, ILE87B, LEU42A, LEU42B, LEU45A, LEU45B, LEU83A, LEU83B, LYS2A, LYS2B, LYS6A, LYS6B, PRO48A, PRO48B, PRO86A, PRO86B, THR4A, THR4B, THR5A, THR5B, THR82A, THR82B, TYR41A, TYR41B, VAL88A, VAL88B
• A-D: ALA32A, ARG29A, ASP134D, GLN-1D, GLN44A, GLU131D, GLU39A, GLU43A, GLY135D, HIS40A, ILE140D, LEU132D, LEU28A, LEU37A, LEU42A, LEU45A, PHE138D, SER130D, SER38A, THR133D, TYR136D, TYR139D, TYR41A
• B-C: ALA32C, ARG29C, ASP134B, GLN-1B, GLN44C, GLU131B, GLU39C, GLU43C, GLY135B, HIS40C, ILE140B, LEU132B, LEU28C, LEU37C, LEU42C, LEU45C, PHE138B, SER130B, SER38C, THR133B, THR5C, TYR136B, TYR139B, TYR41C
• B-D: ALA110B, ALA110D, ALA76B, ALA76D, ALA98B, ALA98D, ALA99B, ALA99D, ARG101B, ARG101D, ARG106B, ARG106D, ARG108B, ARG108D, ARG112B, ARG112D, ARG81B, ARG81D, ARG8B, ARG8D, ASN109B, ASN109D, ASN36B, ASN36D, ASP113B, ASP113D, ASP116B, ASP116D, ASP122B, ASP122D, ASP129B, ASP129D, ASP34B, ASP34D, ASP95B, ASP95D, GLN-1B, GLN-1D, GLN100B, GLN100D, GLN117B, GLN117D, GLU102B, GLU102D, GLU131B, GLU131D, GLU16B, GLU16D, GLU84B, GLU84D, GLU91B, GLU91D, GLU94B, GLU94D, GLU96B, GLU96D, GLU97B, GLU97D, GLY0B, GLY0D, GLY10B, GLY10D, GLY135B, GLY135D, GLY77B, GLY77D, GLY7B, GLY7D, GLY85B, GLY85D, HIS126B, HIS126D, ILE13B, ILE13D, ILE140B, ILE140D, ILE3B, ILE3D, ILE79B, ILE79D, ILE80B, ILE80D, ILE87B, ILE87D, LEU103B, LEU103D, LEU115B, LEU115D, LEU11B, LEU11D, LEU120B, LEU120D, LEU123B, LEU123D, LEU124B, LEU124D, LEU132B, LEU132D, LEU15B, LEU15D, LEU37B, LEU37D, LEU89B, LEU89D, LYS125B, LYS125D, LYS19B, LYS19D, LYS2B, LYS2D, LYS35B, LYS35D, PHE-2B, PHE-2D, PHE138B, PHE138D, PRO86B, PRO86D, SER121B, SER121D, SER127B, SER127D, SER130B, SER130D, SER92B, SER92D, THR105B, THR105D, THR118B, THR118D, THR119B, THR119D, THR128B, THR128D, THR12B, THR12D, THR133B, THR133D, THR4B, THR4D, THR5B, THR5D, THR75B, THR75D, TRP104B, TRP104D, TYR-3B, TYR-3D, TYR136B, TYR136D, TYR139B, TYR139D, TYR9B, TYR9D, VAL111B, VAL111D, VAL114B, VAL114D, VAL88B, VAL88D, VAL90B, VAL90D
• C-D: ALA52C, ALA52D, ARG108C, ARG108D, ARG112C, ARG112D, ARG50C, ARG50D, ARG81C, ARG81D, ASN51C, ASN51D, ASP78C, ASP78D, GLN44C, GLN44D, GLU43C, GLU43D, GLU84C, GLU84D, GLY47C, GLY47D, GLY53C, GLY53D, GLY77C, GLY77D, GLY85C, GLY85D, HIS40C, HIS40D, ILE46C, ILE46D, ILE54C, ILE54D, ILE80C, ILE80D, ILE87C, ILE87D, LEU42C, LEU42D, LEU45C, LEU45D, LEU83C, LEU83D, LYS2C, LYS2D, LYS6C, LYS6D, PRO48C, PRO48D, PRO86C, PRO86D, THR4C, THR4D, THR5C, THR5D, THR82C, THR82D, TYR41C, TYR41D, VAL88C, VAL88D