3KAV

crystal structure of the mutant (l80m) pa2107 protein from pseudomonas aeruginosa, northeast structural genomics consortium target par198

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 90
  • Norm. En. per Res.: -4.2507
• 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	-9.4885	-56.6087	-163.685	-229.7822	64	10	5	6823	4	17	21
A-D	-2.9589	-12.6129	-114.653	-130.2248	37	5	3	4304	0	19	17
C-D	-22.615	-80.9655	-278.987	-382.5675	90	15	7	10276	3	24	24

Interface residues

• A-B: ALA100A, ALA66A, ALA70A, ALA70B, ALA76A, ALA76B, ALA77B, ALA87A, ALA87B, ALA89A, ALA89B, ALA90A, ALA90B, ALA94A, ARG46B, ARG63A, ARG74A, ARG74B, ARG82A, ARG82B, ARG83A, ARG83B, ARG96A, ARG96B, ASP68A, ASP68B, ASP71A, ASP71B, CYS69A, CYS69B, CYS73A, CYS73B, CYS91A, GLN64A, GLN64B, GLU49B, GLU81B, GLU92A, GLY67A, GLY67B, HIS65A, HIS65B, ILE45B, LEU52A, LEU52B, LEU72A, LEU72B, LEU75A, LEU75B, LEU78A, LEU78B, LEU79A, LEU79B, LEU93A, LEU93B, PRO85A, PRO85B, PRO88A, SER84A, SER84B, TRP86A, TRP86B, TYR97A, TYR97B
• A-D: ALA29A, ALA30A, ALA32A, ALA53D, ALA77A, ARG36A, ARG38A, ARG46A, ARG50D, ARG60D, ARG63D, ARG82A, ARG83A, CYS37A, CYS55D, GLN31A, GLN42A, GLN62D, GLU109D, GLU34A, GLU35A, GLU57D, GLU81A, LEU111D, LEU129A, LEU39A, LEU52D, LEU54D, LEU78A, LEU79A, PRO110D, PRO33A, SER58D, SER59D, SER84A, THR56D, TYR51D
• C-D: ALA100C, ALA100D, ALA102C, ALA102D, ALA66C, ALA66D, ALA70C, ALA70D, ALA76C, ALA76D, ALA87C, ALA87D, ALA89C, ALA89D, ALA90C, ALA90D, ALA94C, ALA94D, ALA98C, ALA98D, ARG104C, ARG104D, ARG60C, ARG60D, ARG63C, ARG63D, ARG74C, ARG74D, ARG82C, ARG82D, ARG83C, ARG83D, ARG96C, ARG96D, ASP68C, ASP68D, ASP71C, ASP71D, CYS101C, CYS101D, CYS105C, CYS105D, CYS119D, CYS48C, CYS48D, CYS69C, CYS69D, CYS73C, CYS73D, CYS91C, CYS91D, GLN62C, GLN62D, GLN64C, GLN64D, GLU61C, GLU61D, GLU81C, GLU81D, GLU92C, GLU92D, GLY67C, GLY67D, HIS65C, HIS65D, LEU52C, LEU52D, LEU72C, LEU72D, LEU75C, LEU75D, LEU78C, LEU78D, LEU79C, LEU79D, LEU93C, LEU93D, LEU99C, LEU99D, PRO131C, PRO85C, PRO85D, PRO88C, PRO88D, SER84C, SER84D, TRP86C, TRP86D, TYR97C, TYR97D