3LUQ

the crystal structure of a pas domain from a sensory box histidine kinase regulator from geobacter sulfurreducens to 2.5a

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 45
  • Norm. En. per Res.: -2.8988
• 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	-11.6766	47.5824	-77.2626	-41.3568	61	16	1	4816	6	27	32
A-C	-9.6407	-4.5348	-32.056	-46.2315	27	5	1	2395	5	15	18
A-D	-16.4684	-29.3924	-84.583	-130.4438	45	4	0	3417	5	32	28
B-C	-21.1537	25.3559	-52.728	-48.5258	43	3	0	2254	1	33	31
B-D	0.0	-7.2858	-1.1674	-8.4532	5	0	0	145	0	4	5
C-D	-14.118	37.1873	-90.4727	-67.4034	58	7	1	4196	7	24	27

Interface residues

• A-B: ALA100A, ALA100B, ALA98A, ALA98B, ARG116A, ARG159A, ARG159B, ARG176A, ARG176B, ARG180A, ARG180B, ARG90A, ARG90B, ARG92A, ARG92B, ASP88A, GLU156A, GLU156B, GLU161A, GLU161B, GLU178A, GLU178B, GLU184A, GLU197A, GLU197B, GLU89B, GLU96A, GLU96B, GLY155A, GLY155B, GLY185A, GLY185B, HIS97A, HIS97B, ILE158A, ILE158B, LEU102A, LEU102B, LEU91A, LEU91B, LEU93A, LEU93B, PHE195A, PHE195B, PHE94A, PHE94B, PRO181A, PRO181B, PRO99A, PRO99B, SER115A, SER115B, SER87B, THR95A, THR95B, TYR183A, TYR183B, VAL157A, VAL157B, VAL193A, VAL193B
• A-C: ALA113A, ALA98C, ARG90A, ARG90C, ARG92A, ARG92C, ASP88A, ASP88C, GLU89A, GLU89C, GLU96A, GLU96C, HIS97A, HIS97C, LEU112A, LEU130A, LEU91A, LEU91C, LEU93A, LEU93C, PHE94A, PHE94C, PRO99C, SER87A, SER87C, THR95A, THR95C
• A-D: ALA113A, ALA113D, ALA98A, ARG116A, ARG116D, ARG119A, ARG119D, ARG90D, ARG92A, ARG92D, ASP126A, ASP126D, ASP128A, ASP128D, ASP88D, GLU120D, GLU89A, GLU89D, GLU96A, GLU96D, GLY125A, GLY125D, GLY127A, GLY127D, GLY131A, HIS97A, HIS97D, ILE129A, ILE129D, LEU112A, LEU124A, LEU130A, LEU130D, LEU91D, LEU93A, LEU93D, PHE94D, PRO99D, SER115A, SER115D, THR95A, THR95D, TYR111A, VAL114A, VAL114D
• B-C: ALA113B, ALA113C, ALA98C, ARG116B, ARG116C, ARG117C, ARG119B, ARG119C, ARG90B, ARG92B, ARG92C, ASP126B, ASP126C, ASP128B, ASP128C, GLU120C, GLU89B, GLU89C, GLU96B, GLU96C, GLY125B, GLY125C, GLY127B, GLY127C, GLY131B, HIS97B, HIS97C, ILE129B, ILE129C, LEU112B, LEU112C, LEU124C, LEU130B, LEU130C, LEU91B, LEU93B, LEU93C, PHE94B, PRO99C, SER115C, SER87B, VAL114B, VAL114C
• B-D: ARG90B, ARG90D, ASP88B, GLU89B, SER87B
• C-D: ALA100C, ALA100D, ALA98C, ALA98D, ARG116C, ARG117C, ARG117D, ARG159C, ARG159D, ARG176C, ARG176D, ARG180C, ARG180D, ARG90C, ARG90D, ARG92C, ASP88C, ASP88D, GLU156C, GLU156D, GLU161C, GLU161D, GLU178C, GLU178D, GLU197D, GLU89C, GLU96C, GLU96D, GLY155C, GLY155D, HIS97C, HIS97D, ILE158C, ILE158D, LEU102C, LEU102D, LEU91C, LEU91D, LEU93C, LEU93D, PHE195C, PHE195D, PHE94C, PHE94D, PRO181C, PRO181D, PRO99C, PRO99D, SER115C, SER87C, THR95C, THR95D, TRP177C, TRP182C, TYR183C, TYR183D, VAL157C, VAL157D