2A2O

crystal structure of a putativetena family transcriptional regulator (bt_3146) from bacteroides thetaiotaomicron vpi-5482 at 2.16 a resolution

• Total interactions analyzed: 21
• Total true interactions: 8
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 106
  • Norm. En. per Res.: -4.358
• 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	-53.5232	0.0	-397.78	-451.3032	108	9	4	14300	0	14	18
A-F	0.0	-5.6828	-171.426	-177.1088	68	3	5	6402	0	4	5
A-G	-11.2005	-22.9984	-44.2926	-78.4916	42	1	0	2220	2	17	16
B-C	-5.5368	-5.74	-169.134	-180.4108	67	3	6	6386	0	4	5
B-G	0.0	0.0	-0.0043	-0.0043	4	0	0	2	0	2	2
C-D	-63.3911	0.0	-389.46	-452.8511	106	6	7	14035	0	13	18
D-E	-21.9424	-5.8272	-171.072	-198.8416	67	7	5	6569	0	4	6
E-F	-65.8802	0.0	-396.07	-461.9502	106	12	6	14112	0	13	18

Interface residues

• A-B: ALA129A, ALA129B, ALA64A, ALA64B, ALA71A, ALA71B, ARG10A, ARG10B, ARG127A, ARG127B, ARG186A, ARG186B, ASN182A, ASN182B, ASN70A, ASN70B, ASP137A, ASP137B, ASP68A, ASP68B, ASP79A, GLN122A, GLN122B, GLN78A, GLN78B, GLU118A, GLU118B, GLU128A, GLU128B, GLY131A, GLY131B, GLY135A, GLY135B, GLY61A, GLY61B, GLY65A, GLY65B, GLY73A, GLY73B, HIS121A, HIS121B, HIS125A, HIS125B, ILE133A, ILE133B, ILE138A, ILE138B, ILE238A, ILE238B, ILE62A, ILE62B, LEU126A, LEU126B, LEU132A, LEU132B, LEU184A, LEU184B, LEU239A, LEU239B, LEU67A, LEU67B, LEU75A, LEU75B, LYS139A, LYS139B, PHE187A, PHE187B, PHE84A, PHE84B, PRO134A, PRO134B, PRO69A, PRO69B, SER130A, SER130B, SER183A, SER183B, SER235A, SER235B, SER236A, SER236B, SER74A, SER74B, THR119A, THR119B, THR123A, THR123B, THR136A, THR136B, THR237A, THR66A, THR66B, TRP124A, TRP124B, TRP188A, TRP188B, TRP191A, TRP191B, TYR120A, TYR120B, TYR185A, TYR185B, TYR72A, TYR72B, TYR81A, TYR81B, VAL77A, VAL77B
• A-F: ALA172A, ALA172F, ALA50A, ALA50F, ALA63A, ALA63F, ALA64A, ALA64F, ASN173A, ASN173F, ASN44A, ASN44F, ASP176A, ASP176F, ASP48A, ASP48F, ASP57A, ASP57F, GLN52A, GLN52F, GLN55A, GLN55F, GLY177A, GLY177F, GLY45A, GLY45F, GLY61A, GLY61F, ILE171A, ILE171F, ILE62A, ILE62F, LEU175A, LEU175F, LEU47A, LEU47F, LEU54A, LEU54F, LYS60A, LYS60F, PHE174A, PHE174F, PHE59A, PHE59F, PRO180A, PRO180F, SER46A, SER46F, THR179A, THR179F, THR49A, THR49F, THR56A, THR56F, THR66A, TRP170A, TRP170F, TRP40F, TRP43A, TRP43F, TYR178A, TYR178F, TYR58A, TYR58F, VAL51A, VAL51F, VAL53A, VAL53F
• A-G: ALA142A, ALA146A, ALA149G, ALA225A, ALA91G, ALA94G, ALA97G, ARG103G, ARG24G, ARG85A, ARG87G, ASN227A, ASP137A, ASP140A, ASP143A, ASP88G, ASP99G, CYS96G, GLN98G, GLU100G, GLU104G, GLU145A, GLU220A, GLY150G, ILE221A, LEU152A, LYS107G, LYS139A, LYS217A, LYS231A, SER151A, SER151G, SER154G, THR136A, THR224A, THR92G, THR95G, TYR141A, TYR144A, TYR147A, TYR228A, VAL148A
• B-C: ALA172B, ALA172C, ALA50B, ALA50C, ALA63B, ALA63C, ALA64B, ALA64C, ASN173B, ASN173C, ASN44B, ASN44C, ASP176B, ASP176C, ASP48B, ASP48C, ASP57B, ASP57C, GLN52B, GLN52C, GLN55B, GLN55C, GLY177B, GLY177C, GLY45B, GLY45C, GLY61B, GLY61C, ILE171B, ILE171C, ILE62B, ILE62C, LEU175B, LEU175C, LEU47B, LEU47C, LEU54B, LEU54C, LYS60B, LYS60C, PHE174B, PHE174C, PHE59B, PHE59C, PRO180B, PRO180C, SER46B, SER46C, THR179B, THR179C, THR49B, THR49C, THR56B, THR56C, THR66C, TRP170B, TRP170C, TRP43B, TRP43C, TYR178B, TYR178C, TYR58B, TYR58C, VAL51B, VAL51C, VAL53B, VAL53C
• B-G: ARG127B, ARG127G, GLU128B, GLU128G
• C-D: ALA129C, ALA129D, ALA64C, ALA64D, ALA71C, ALA71D, ARG10C, ARG127C, ARG127D, ARG186C, ARG186D, ASN182C, ASN182D, ASN70C, ASN70D, ASP137C, ASP137D, ASP68C, ASP68D, ASP79C, GLN122C, GLN122D, GLN78C, GLN78D, GLU118C, GLU118D, GLU128C, GLU128D, GLY131C, GLY131D, GLY135C, GLY135D, GLY61C, GLY61D, GLY65C, GLY65D, GLY73C, GLY73D, HIS121C, HIS121D, HIS125C, HIS125D, ILE133C, ILE133D, ILE138C, ILE138D, ILE238C, ILE238D, ILE62C, ILE62D, LEU126C, LEU126D, LEU132C, LEU132D, LEU184C, LEU184D, LEU239C, LEU239D, LEU67C, LEU67D, LEU75C, LEU75D, LYS139C, LYS139D, PHE187C, PHE187D, PHE84C, PHE84D, PRO134C, PRO134D, PRO69C, PRO69D, SER130C, SER130D, SER183C, SER183D, SER235C, SER235D, SER236C, SER236D, SER74C, SER74D, THR119C, THR119D, THR123C, THR123D, THR136C, THR136D, THR66C, THR66D, TRP124C, TRP124D, TRP188C, TRP188D, TRP191C, TRP191D, TYR120C, TYR120D, TYR185C, TYR185D, TYR72C, TYR72D, TYR81C, TYR81D, VAL77C, VAL77D
• D-E: ALA172D, ALA172E, ALA50D, ALA50E, ALA63D, ALA63E, ALA64D, ALA64E, ASN173D, ASN173E, ASN44D, ASN44E, ASP176D, ASP176E, ASP48D, ASP48E, ASP57D, ASP57E, GLN52D, GLN52E, GLN55D, GLN55E, GLY177D, GLY177E, GLY45D, GLY45E, GLY61D, GLY61E, ILE171D, ILE171E, ILE62D, ILE62E, LEU175D, LEU175E, LEU47D, LEU47E, LEU54D, LEU54E, LYS60D, LYS60E, PHE174D, PHE174E, PHE59D, PHE59E, PRO180D, PRO180E, SER46D, SER46E, THR179D, THR179E, THR49D, THR49E, THR56D, THR56E, THR66D, TRP170D, TRP170E, TRP43D, TRP43E, TYR178D, TYR178E, TYR58D, TYR58E, VAL51D, VAL51E, VAL53D, VAL53E
• E-F: ALA129E, ALA129F, ALA64E, ALA64F, ALA71E, ALA71F, ARG10E, ARG127E, ARG127F, ARG186E, ARG186F, ASN182E, ASN182F, ASN70E, ASN70F, ASP137E, ASP137F, ASP68E, ASP68F, ASP79E, ASP79F, GLN122E, GLN122F, GLN78E, GLN78F, GLU118E, GLU118F, GLU128E, GLU128F, GLY131E, GLY131F, GLY135E, GLY135F, GLY61E, GLY61F, GLY65E, GLY65F, GLY73E, GLY73F, HIS121E, HIS121F, HIS125E, HIS125F, ILE133E, ILE133F, ILE138E, ILE138F, ILE238E, ILE238F, ILE62E, ILE62F, LEU126E, LEU126F, LEU132E, LEU132F, LEU184E, LEU184F, LEU239E, LEU239F, LEU67E, LEU67F, LEU75E, LEU75F, LYS139E, LYS139F, PHE187E, PHE187F, PHE84E, PHE84F, PRO134E, PRO134F, PRO69E, PRO69F, SER130E, SER130F, SER183E, SER183F, SER235E, SER235F, SER236E, SER236F, SER74E, SER74F, THR119F, THR123E, THR123F, THR136E, THR136F, THR66E, THR66F, TRP124E, TRP124F, TRP188E, TRP188F, TRP191E, TRP191F, TYR120E, TYR120F, TYR185E, TYR185F, TYR72E, TYR72F, TYR81E, TYR81F, VAL77E, VAL77F