3F1T

crystal structure of the q9i3c8_pseae protein from pseudomonas aeruginosa. northeast structural genomics consortium target par319a.

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 110
  • Norm. En. per Res.: -3.0525
• 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	-68.4621	66.9087	-201.616	-203.1695	107	13	8	9500	0	17	24
A-C	-15.1665	9.6443	-54.3942	-59.9163	45	1	0	2562	1	16	20
A-D	0.0	12.7123	-74.4484	-61.7361	43	7	2	3888	0	10	10
B-C	0.0	13.518	-71.8773	-58.3593	43	7	1	3894	0	10	10
B-D	-17.8988	18.6649	-78.6891	-77.923	45	5	0	2930	1	16	21
C-D	-82.0519	-28.0753	-225.647	-335.7743	110	24	8	11137	8	19	22

Interface residues

• A-B: ALA130A, ALA130B, ALA135A, ALA135B, ALA16A, ALA16B, ALA44A, ALA44B, ALA58A, ALA58B, ALA94A, ALA94B, ARG18A, ARG18B, ARG87A, ARG87B, ASP64A, ASP64B, ASP85A, ASP85B, ASP89A, ASP89B, CYS20A, CYS20B, CYS81A, CYS81B, GLN21A, GLN21B, GLN43A, GLN43B, GLU79A, GLY134A, GLY134B, GLY47A, GLY47B, GLY56A, GLY56B, GLY57A, GLY57B, GLY68A, GLY68B, HIS131A, HIS131B, HIS19A, HIS19B, HIS55A, HIS55B, HIS92A, HIS92B, ILE129B, ILE45A, ILE45B, ILE46A, ILE46B, ILE59A, ILE59B, ILE69A, ILE69B, ILE80A, ILE80B, ILE88A, ILE88B, LEU14A, LEU17A, LEU17B, LEU23A, LEU23B, LEU25B, LEU39A, LEU39B, LEU62A, LEU62B, LEU84A, LEU84B, LEU86A, LEU86B, PHE136A, PHE136B, PHE13A, PHE13B, PHE78A, PHE78B, PRO82A, PRO82B, PRO93A, PRO93B, SER42A, THR60A, THR60B, THR61A, THR61B, THR65A, THR65B, THR83A, THR83B, TYR90A, TYR90B, VAL132A, VAL132B, VAL133A, VAL133B, VAL22A, VAL22B, VAL53A, VAL53B, VAL54A, VAL54B
• A-C: ALA130A, ALA130C, ALA135A, ARG108A, ARG108C, ARG117A, ARG117C, ARG87A, ARG87C, ASP85A, ASP85C, ASP89A, ASP89C, GLN127A, GLN127C, GLU105C, GLY118C, GLY126A, GLY126C, GLY134A, GLY134C, HIS131A, HIS131C, HIS92A, HIS92C, ILE129A, ILE129C, ILE88A, ILE88C, LEU86A, LEU86C, PHE115A, PHE115C, PRO128A, PRO128C, PRO93A, PRO93C, THR116A, TYR107A, TYR107C, TYR90A, TYR90C, VAL132C, VAL133A, VAL133C
• A-D: ALA135A, ALA135D, ARG108A, ARG108D, ARG138A, ARG138D, ARG87A, ARG87D, ASN112A, ASN112D, ASP85A, ASP85D, ASP89A, GLY134A, GLY134D, ILE114A, ILE114D, ILE88A, LEU84A, LEU84D, LEU86A, LEU86D, PHE115A, PHE115D, PHE136A, PHE136D, PRO111A, PRO111D, PRO82A, PRO82D, THR110A, THR110D, THR83A, THR83D, TYR107A, TYR107D, VAL109A, VAL109D, VAL113A, VAL113D, VAL132A, VAL133A, VAL133D
• B-C: ALA135B, ALA135C, ARG108B, ARG108C, ARG138B, ARG138C, ARG87B, ARG87C, ASN112B, ASN112C, ASP85B, ASP85C, ASP89B, GLY134B, GLY134C, ILE114B, ILE114C, ILE88B, LEU84B, LEU84C, LEU86B, LEU86C, PHE115B, PHE115C, PHE136B, PHE136C, PRO111B, PRO111C, PRO82B, PRO82C, THR110B, THR110C, THR83B, THR83C, TYR107B, TYR107C, VAL109B, VAL109C, VAL113B, VAL113C, VAL132B, VAL133B, VAL133C
• B-D: ALA130B, ALA130D, ALA135B, ARG108B, ARG108D, ARG117B, ARG117D, ARG87B, ARG87D, ASP85B, ASP85D, ASP89B, ASP89D, GLY118B, GLY118D, GLY134B, GLY134D, HIS131B, HIS131D, HIS92B, HIS92D, ILE129B, ILE129D, ILE88B, ILE88D, LEU86B, LEU86D, PHE115B, PHE115D, PHE119B, PHE119D, PRO128B, PRO128D, PRO93B, PRO93D, THR116B, THR116D, TYR107B, TYR107D, TYR90B, TYR90D, VAL132B, VAL132D, VAL133B, VAL133D
• C-D: ALA130C, ALA130D, ALA135C, ALA135D, ALA16C, ALA16D, ALA44C, ALA44D, ALA58C, ALA58D, ALA94C, ALA94D, ARG12C, ARG18C, ARG18D, ARG87C, ARG87D, ASN48D, ASP64C, ASP64D, ASP85C, ASP85D, ASP89C, ASP89D, CYS20C, CYS20D, CYS81C, CYS81D, GLN21C, GLN21D, GLN43C, GLN43D, GLY134C, GLY134D, GLY24D, GLY47C, GLY47D, GLY56C, GLY56D, GLY57C, GLY57D, GLY68C, GLY68D, HIS131C, HIS131D, HIS19C, HIS19D, HIS55C, HIS55D, HIS92C, HIS92D, ILE45C, ILE45D, ILE46C, ILE46D, ILE59C, ILE59D, ILE69C, ILE69D, ILE80C, ILE80D, ILE88C, ILE88D, LEU14C, LEU17C, LEU17D, LEU23C, LEU23D, LEU25C, LEU39C, LEU39D, LEU62C, LEU84C, LEU84D, LEU86C, LEU86D, PHE136C, PHE136D, PHE13C, PHE13D, PHE78C, PHE78D, PRO49D, PRO82C, PRO82D, PRO93C, PRO93D, SER15C, SER42C, SER42D, THR60C, THR60D, THR61C, THR61D, THR65C, THR65D, THR83C, THR83D, TYR90C, TYR90D, VAL132C, VAL132D, VAL133C, VAL133D, VAL22C, VAL22D, VAL53C, VAL53D, VAL54C, VAL54D