3KAW

crystal structure of pa2107 protein from pseudomonas aeruginosa, northeast structural genomics consortium target par198

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 85
  • Norm. En. per Res.: -4.641
• 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	0.0	-122.8425	-253.672	-376.5145	85	3	5	9017	6	27	25
A-C	-8.9945	-30.1944	-57.3233	-96.5121	36	3	2	2768	1	16	18
A-D	0.0	0.0	-1.0492	-1.0492	7	0	0	140	0	4	2
B-C	0.0	7.5999	-40.5676	-32.9677	24	0	0	1525	0	14	15
B-D	-15.9653	-29.6246	-56.1036	-101.6935	37	3	2	2633	1	16	18
C-D	-9.7017	-118.6033	-248.422	-376.727	84	10	5	9187	6	26	25
D-E	-12.0081	-7.9714	-118.353	-138.3325	62	4	0	4826	10	52	40
E-F	-31.1166	-119.2364	-244.132	-394.485	85	12	5	9191	6	26	25
E-G	-11.2886	-34.2326	-57.6902	-103.2114	36	3	2	2450	1	15	19
E-H	0.0	0.0	-0.7845	-0.7845	8	0	0	123	0	4	2
F-G	0.0	16.6181	-43.3295	-26.7114	24	0	0	1600	0	14	15
F-H	-6.7395	-30.3343	-57.5679	-94.6417	38	3	2	2679	1	17	19
G-H	-19.7809	-119.7756	-257.117	-396.6734	86	11	8	9355	6	24	25

Interface residues

• A-B: ALA100A, ALA100B, ALA102A, ALA102B, ALA66A, ALA66B, ALA70A, ALA70B, ALA76A, ALA76B, ALA87A, ALA87B, ALA89A, ALA89B, ALA90A, ALA90B, ALA94A, ALA94B, ALA98A, ALA98B, ARG104A, ARG104B, ARG60A, ARG60B, ARG63A, ARG63B, ARG74A, ARG74B, ARG82A, ARG82B, ARG83A, ARG83B, ARG96A, ARG96B, ASP68A, ASP68B, ASP71A, ASP71B, CYS101A, CYS101B, CYS105A, CYS69A, CYS69B, CYS73A, CYS73B, CYS91A, CYS91B, GLN62A, GLN62B, GLN64A, GLN64B, GLU103A, GLU103B, GLU61A, GLU61B, GLU92A, GLU92B, GLY67A, GLY67B, HIS65A, HIS65B, LEU52A, LEU52B, LEU72A, LEU72B, LEU75A, LEU75B, LEU78A, LEU78B, LEU79A, LEU79B, LEU93A, LEU93B, LEU99A, LEU99B, PRO85A, PRO85B, PRO88A, PRO88B, SER84A, SER84B, TRP86A, TRP86B, TYR97A, TYR97B
• A-C: ALA32C, ALA53A, ALA87C, ARG36C, ARG50A, ARG60A, ARG63A, ARG74A, ARG82C, ARG83C, ASP68A, ASP71A, CYS55A, GLN31C, GLN64A, GLU34C, GLU35C, GLU49A, GLU61A, GLY67A, LEU129C, LEU130C, LEU52A, LEU54A, LEU79C, LEU80C, PRO128C, PRO33C, PRO85C, PRO88C, SER58A, SER59A, SER84C, THR56A, TRP86C, TYR51A
• A-D: ARG60A, ARG60D, ASP68D, GLN64A, GLN64D, GLU61A, GLU61D
• B-C: ALA32B, ALA32C, ARG38B, ARG38C, ARG82B, ARG82C, ARG83B, ARG83C, GLU34B, GLU34C, GLU35B, GLU35C, GLU81B, GLU81C, LEU78B, LEU78C, LEU79B, LEU79C, LEU80B, LEU80C, PRO85B, PRO85C, SER84B, SER84C
• B-D: ALA32B, ALA53D, ALA66D, ALA87B, ARG36B, ARG50D, ARG60D, ARG63D, ARG74D, ARG82B, ARG83B, ASP68D, ASP71D, CYS48D, CYS55D, GLN31B, GLN64D, GLU34B, GLU35B, GLU49D, GLU61D, GLY67D, LEU129B, LEU130B, LEU52D, LEU54D, LEU79B, PRO128B, PRO33B, PRO85B, PRO88B, SER58D, SER59D, SER84B, THR56D, TRP86B, 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, CYS69C, CYS69D, CYS73C, CYS73D, CYS91C, CYS91D, GLN62C, GLN62D, GLN64C, GLN64D, GLU61C, GLU61D, 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
• D-E: ALA100D, ALA102D, ALA102E, ALA116D, ALA116E, ALA118D, ALA118E, ALA125D, ALA125E, ALA40D, ALA40E, ALA43D, ALA47D, ALA95D, ARG113D, ARG113E, ARG120D, ARG120E, ARG121D, ARG121E, ARG127D, ARG127E, ARG36D, ARG36E, ARG46D, ARG46E, ARG50D, ASP106D, ASP106E, ASP108D, ASP108E, CYS115D, CYS115E, CYS119D, CYS119E, CYS126D, GLU103D, GLU103E, GLU109E, GLU112E, GLU114D, GLU114E, GLU124D, GLU124E, GLY107D, GLY107E, GLY117D, GLY117E, LEU111D, LEU111E, LEU130D, LEU130E, LEU99D, LEU99E, PHE122D, PHE122E, PRO110D, PRO110E, PRO128D, PRO128E, VAL123D, VAL123E
• E-F: ALA100E, ALA100F, ALA102E, ALA102F, ALA66E, ALA66F, ALA70E, ALA70F, ALA76E, ALA76F, ALA87E, ALA87F, ALA89E, ALA89F, ALA90E, ALA90F, ALA94E, ALA94F, ALA98E, ALA98F, ARG104E, ARG104F, ARG60E, ARG63E, ARG63F, ARG74E, ARG74F, ARG82E, ARG82F, ARG83E, ARG83F, ARG96E, ARG96F, ASP68E, ASP68F, ASP71E, ASP71F, CYS101E, CYS101F, CYS105E, CYS105F, CYS119E, CYS69E, CYS69F, CYS73E, CYS73F, CYS91E, CYS91F, GLN62E, GLN62F, GLN64E, GLN64F, GLU61E, GLU61F, GLU92E, GLU92F, GLY67E, GLY67F, HIS65E, HIS65F, LEU52E, LEU52F, LEU72E, LEU72F, LEU75E, LEU75F, LEU78E, LEU78F, LEU79E, LEU79F, LEU93E, LEU93F, LEU99E, LEU99F, PRO131F, PRO85E, PRO85F, PRO88E, PRO88F, SER84E, SER84F, TRP86E, TRP86F, TYR97E, TYR97F
• E-G: ALA32G, ALA53E, ALA87G, ARG36G, ARG50E, ARG60E, ARG63E, ARG82G, ARG83G, ASP68E, ASP71E, CYS48E, CYS55E, GLN31G, GLN64E, GLU34G, GLU35G, GLU49E, GLU61E, GLY67E, LEU129G, LEU130G, LEU52E, LEU54E, LEU79G, LEU80G, PRO128G, PRO33G, PRO85G, PRO88G, SER58E, SER59E, SER84G, THR56E, TRP86G, TYR51E
• E-H: ARG60E, ARG60H, ASP68E, ASP68H, GLN64E, GLN64H, GLU61E, HIS65E
• F-G: ALA32F, ALA32G, ARG38F, ARG38G, ARG82F, ARG82G, ARG83F, ARG83G, GLU34F, GLU34G, GLU35F, GLU35G, GLU81F, GLU81G, LEU78F, LEU78G, LEU79F, LEU79G, LEU80F, LEU80G, PRO85F, PRO85G, SER84F, SER84G
• F-H: ALA32F, ALA53H, ALA66H, ALA87F, ARG36F, ARG50H, ARG60H, ARG63H, ARG74H, ARG82F, ARG83F, ASP68H, ASP71H, CYS48H, CYS55H, GLN31F, GLN64H, GLU34F, GLU35F, GLU49H, GLU61H, GLU81F, GLY67H, LEU129F, LEU52H, LEU54H, LEU79F, LEU80F, PRO128F, PRO33F, PRO85F, PRO88F, SER58H, SER59H, SER84F, THR56H, TRP86F, TYR51H
• G-H: ALA100G, ALA100H, ALA102G, ALA102H, ALA66G, ALA66H, ALA70G, ALA70H, ALA76G, ALA76H, ALA87G, ALA87H, ALA89G, ALA89H, ALA90G, ALA90H, ALA94G, ALA94H, ALA98G, ALA98H, ARG104G, ARG104H, ARG60H, ARG63G, ARG63H, ARG74G, ARG74H, ARG82G, ARG82H, ARG83G, ARG83H, ARG96G, ARG96H, ASP68G, ASP68H, ASP71G, ASP71H, CYS101G, CYS101H, CYS105G, CYS119G, CYS48H, CYS69G, CYS69H, CYS73G, CYS73H, CYS91G, CYS91H, GLN62G, GLN62H, GLN64G, GLN64H, GLU103G, GLU61G, GLU61H, GLU81G, GLU92G, GLU92H, GLY67G, GLY67H, HIS65G, HIS65H, LEU52G, LEU52H, LEU72G, LEU72H, LEU75G, LEU75H, LEU78G, LEU78H, LEU79G, LEU79H, LEU93G, LEU93H, LEU99G, LEU99H, PRO85G, PRO85H, PRO88G, PRO88H, SER84G, SER84H, TRP86G, TRP86H, TYR97G, TYR97H