3RGG

crystal structure of treponema denticola pure bound to air

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 64
  • Norm. En. per Res.: -2.9989
• 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	-17.3732	-57.7484	-130.125	-205.2467	70	5	4	5483	4	21	21
A-C	0.0	0.0	-0.4885	-0.4885	4	0	1	61	0	0	1
A-D	-17.2792	-54.8246	-134.789	-206.8928	70	4	5	5528	5	22	21
B-C	-19.6047	-55.3035	-117.021	-191.9292	64	5	3	4780	5	22	21
B-D	0.0	0.0	-0.5434	-0.5434	6	0	1	62	0	0	1
C-D	-19.0526	-50.1114	-119.331	-188.495	64	3	3	4826	4	21	21

Interface residues

• A-B: ALA147B, ALA18A, ALA33A, ALA39A, ALA43A, ALA95A, ALA95B, ALA97A, ALA97B, ARG126B, ARG35A, ARG68A, ASN119B, ASN146B, ASP153B, ASP154B, ASP92A, ASP92B, ASP98B, GLN148B, GLU116B, GLU144B, GLU152B, GLU19A, GLU44A, GLY10A, GLY37A, GLY96A, GLY96B, HIS40A, HIS45A, ILE150B, ILE151B, ILE34A, ILE36A, ILE7A, ILE99B, LEU103B, LEU113B, LEU115B, LEU122B, LEU157B, LEU8A, LYS149B, LYS156B, LYS41A, MET143B, MET15A, MET49A, MET9A, PHE94A, PHE94B, PRO117B, PRO88B, PRO90B, SER11A, SER12A, SER13A, SER145B, SER155B, SER38A, SER48A, SER91B, SER93A, SER93B, THR42A, TYR100B, TYR142B, TYR53A, VAL46A
• A-C: ALA95A, ALA95C, PHE94A, PHE94C
• A-D: ALA147A, ALA18D, ALA33D, ALA39D, ALA43D, ALA95A, ALA95D, ALA97A, ALA97D, ARG126A, ARG35D, ARG68D, ASN119A, ASN146A, ASP153A, ASP154A, ASP92A, ASP92D, ASP98A, GLN148A, GLU116A, GLU144A, GLU152A, GLU19D, GLU44D, GLY10D, GLY37D, GLY96A, GLY96D, HIS40D, HIS45D, ILE150A, ILE151A, ILE34D, ILE36D, ILE7D, ILE99A, LEU103A, LEU113A, LEU115A, LEU122A, LEU157A, LEU8D, LYS149A, LYS156A, LYS41D, MET143A, MET15D, MET49D, MET9D, PHE94A, PHE94D, PRO117A, PRO88A, PRO90A, SER11D, SER12D, SER13D, SER145A, SER155A, SER38D, SER91A, SER93A, SER93D, THR42D, TYR100A, TYR142A, TYR32D, TYR53D, VAL46D
• B-C: ALA147C, ALA39B, ALA43B, ALA95B, ALA95C, ALA97B, ALA97C, ARG126C, ARG35B, ARG68B, ASN119C, ASN146C, ASP153C, ASP154C, ASP92B, ASP92C, ASP98C, GLN148C, GLU116C, GLU144C, GLU152C, GLU44B, GLY10B, GLY37B, GLY96B, GLY96C, HIS40B, HIS45B, ILE150C, ILE151C, ILE34B, ILE36B, ILE99C, LEU103C, LEU113C, LEU115C, LEU122C, LEU8B, LYS149C, LYS156C, LYS41B, MET143C, MET15B, MET49B, MET9B, PHE94B, PHE94C, PRO117C, PRO88C, PRO90C, SER11B, SER12B, SER13B, SER145C, SER155C, SER38B, SER91C, SER93B, SER93C, THR42B, TYR100C, TYR142C, TYR53B, VAL46B
• B-D: ALA95B, ALA95D, ASP92B, ASP92D, PHE94B, PHE94D
• C-D: ALA147D, ALA39C, ALA43C, ALA95C, ALA95D, ALA97C, ALA97D, ARG126D, ARG35C, ARG68C, ASN119D, ASN146D, ASP153D, ASP154D, ASP92C, ASP92D, ASP98D, GLN148D, GLU116D, GLU144D, GLU152D, GLU44C, GLY10C, GLY37C, GLY96C, GLY96D, HIS40C, HIS45C, ILE150D, ILE151D, ILE34C, ILE36C, ILE99D, LEU103D, LEU113D, LEU115D, LEU122D, LEU8C, LYS149D, LYS156D, LYS41C, MET143D, MET15C, MET49C, MET9C, PHE94C, PHE94D, PRO117D, PRO88D, PRO90D, SER11C, SER12C, SER13C, SER145D, SER155D, SER38C, SER91D, SER93C, SER93D, THR42C, TYR100D, TYR142D, TYR53C, VAL46C