3ISF

structure of non-mineralized bfrb (as-isolated) from pseudomonas aeruginosa to 2.07a resolution

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 98
  • Norm. En. per Res.: -3.6168
• 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	-50.4968	-67.0458	-222.741	-340.2836	96	6	7	9817	5	24	21
A-D	-6.1858	45.3241	-139.273	-100.1347	50	2	1	4873	0	14	19
A-F	-9.2541	9.9137	-117.731	-117.0715	58	2	3	4529	8	43	45
B-D	-11.0522	8.0182	-121.868	-124.9019	56	3	3	4770	8	45	46
B-E	-6.4604	46.564	-134.911	-94.8073	49	3	1	4815	0	10	18
B-F	-5.8336	49.301	-133.412	-89.9445	50	6	1	4782	0	12	18
C-D	-53.4475	-74.3418	-226.656	-354.4453	98	4	7	9798	6	24	21
E-F	0.0	0.0	-1.3609	-1.3609	8	0	0	154	0	0	2

Interface residues

• A-B: ALA55A, ALA55B, ARG30A, ARG30B, ARG61A, ARG61B, ASN23A, ASN23B, ASN33A, ASN33B, ASN70A, ASN70B, ASP34A, ASP34B, ASP56A, ASP56B, ASP73A, ASP73B, GLN24A, GLN24B, GLN72A, GLN72B, GLU60A, GLU60B, GLU66A, GLU66B, GLU81A, GLU81B, GLY67A, GLY67B, GLY75A, GLY75B, GLY80A, HIS28A, HIS28B, ILE20A, ILE20B, ILE22A, ILE22B, ILE49A, ILE49B, ILE59A, ILE59B, ILE62A, ILE62B, ILE79A, ILE79B, LEU15A, LEU15B, LEU19A, LEU19B, LEU27A, LEU27B, LEU58A, LEU58B, LEU63A, LEU63B, LEU65A, LEU65B, LEU68A, LEU68B, LEU71A, LEU71B, LEU74A, LEU74B, LEU77A, LEU77B, LEU78A, LEU78B, LYS53A, LYS53B, LYS57A, LYS57B, LYS76A, LYS76B, MET31A, MET31B, MET52A, MET52B, PHE26A, PHE26B, PHE64A, PHE64B, PRO69A, PRO69B, SER29A, SER29B, SER48B, TRP32A, TRP32B, TRP35A, TRP35B, TYR25A, TYR25B, TYR45A, TYR45B
• A-D: ARG39D, ASN148A, ASN148D, ASN33A, ASN82A, ASP132D, ASP157D, ASP34A, GLN137D, GLN142D, GLN151A, GLN151D, GLU135D, GLU147A, GLU147D, GLU156A, GLU81A, GLY139D, GLY145A, GLY145D, GLY36A, HIS153A, HIS153D, HIS155A, HIS155D, HIS43D, ILE141D, LEU140D, LEU146A, LEU146D, LEU150A, LEU150D, LEU37A, LEU40D, LYS143D, LYS38A, MET154A, MET154D, MET31A, SER152A, SER152D, THR136D, THR83A, TRP32A, TRP35A, TYR133D, TYR149A, TYR149D, VAL144A, VAL144D
• A-F: ALA104F, ARG102F, ARG117A, ARG117F, ARG61A, ASP113A, ASP118A, ASP118F, ASP122A, ASP122F, ASP132F, CYS108A, CYS108F, GLN110A, GLU103F, GLU109A, GLU109F, GLU125F, GLU127F, GLU128F, GLU129F, GLU135F, GLU60A, GLU66A, GLY3A, HIS107F, HIS112A, HIS130F, ILE105A, ILE105F, ILE123F, ILE131F, LEU101F, LEU119A, LEU120F, LEU124F, LEU134F, LEU63A, LEU65A, LEU91F, LEU95F, LYS121A, LYS121F, LYS2A, LYS57A, LYS99F, PHE64A, SER116A, SER126F, THR136F, THR98F, TYR114A, TYR114F, TYR133F, VAL106F, VAL111A, VAL115A, VAL7A
• B-D: ALA104D, ARG102D, ARG117B, ARG117D, ARG61B, ASP113B, ASP118B, ASP118D, ASP122B, ASP122D, ASP132D, CYS108B, GLN110B, GLU103D, GLU109B, GLU109D, GLU125D, GLU127D, GLU128D, GLU129D, GLU135D, GLU60B, GLU66B, GLY3B, HIS107D, HIS112B, HIS130D, ILE105B, ILE105D, ILE123D, ILE131D, LEU101D, LEU119B, LEU120D, LEU124D, LEU134D, LEU63B, LEU65B, LEU91D, LEU95D, LYS121B, LYS121D, LYS2B, LYS99D, PHE64B, SER116B, SER126D, THR136D, THR98D, TYR114B, TYR114D, TYR133D, VAL106D, VAL111B, VAL115B, VAL7B
• B-E: ARG39B, ASN148B, ASN148E, ASN33E, ASN82E, ASP132B, ASP34E, GLN137B, GLN142B, GLN151B, GLN151E, GLU135B, GLU147B, GLU147E, GLU156E, GLU81E, GLY139B, GLY145B, GLY145E, GLY36E, HIS153B, HIS153E, HIS155B, HIS155E, HIS43B, ILE141B, LEU140B, LEU146B, LEU146E, LEU150B, LEU150E, LEU37E, LEU40B, LYS143B, LYS38E, MET154B, MET154E, MET31E, SER152B, SER152E, THR136B, THR83E, TRP32E, TRP35E, TYR133B, TYR149B, TYR149E, VAL144B, VAL144E
• B-F: ARG39F, ASN148B, ASN148F, ASN33B, ASN82B, ASP132F, ASP34B, GLN137F, GLN142F, GLN151B, GLN151F, GLU135F, GLU147B, GLU147F, GLU156B, GLU156F, GLU81B, GLY139F, GLY145B, GLY145F, GLY36B, HIS153B, HIS153F, HIS155B, HIS155F, HIS43F, ILE141F, LEU140F, LEU146B, LEU146F, LEU150B, LEU150F, LEU37B, LEU40F, LYS143F, LYS38B, MET154B, MET154F, MET31B, SER152B, SER152F, THR136F, THR83B, TRP32B, TRP35B, TYR133F, TYR149B, TYR149F, VAL144B, VAL144F
• C-D: ALA55C, ALA55D, ARG30C, ARG30D, ARG61C, ARG61D, ASN23C, ASN23D, ASN33C, ASN33D, ASN70C, ASN70D, ASP34C, ASP34D, ASP56C, ASP56D, ASP73C, ASP73D, GLN24C, GLN24D, GLN72C, GLN72D, GLU60C, GLU60D, GLU66C, GLU66D, GLU81C, GLU81D, GLY67C, GLY67D, GLY75C, GLY75D, GLY80D, HIS28C, HIS28D, ILE20C, ILE20D, ILE22C, ILE22D, ILE49C, ILE49D, ILE59C, ILE59D, ILE62C, ILE62D, ILE79C, ILE79D, LEU15C, LEU15D, LEU19C, LEU19D, LEU27C, LEU27D, LEU58C, LEU63C, LEU63D, LEU65C, LEU65D, LEU68C, LEU68D, LEU71C, LEU71D, LEU74C, LEU74D, LEU77C, LEU77D, LEU78C, LEU78D, LYS2C, LYS2D, LYS53C, LYS53D, LYS57C, LYS57D, LYS76C, LYS76D, MET31C, MET31D, MET52C, MET52D, MET86D, PHE26C, PHE26D, PHE64C, PHE64D, PRO69C, PRO69D, SER29C, SER29D, SER48D, TRP32C, TRP32D, TRP35C, TRP35D, TYR25C, TYR25D, TYR45C, TYR45D
• E-F: ASN148E, ASN148F, GLN151E, GLN151F, SER152E, SER152F, VAL144E, VAL144F