3L09

crystal structure of putative transcriptional regulator (jann_22dec04_contig27_revised_gene3569) from jannaschia sp. ccs1 at 2.81 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 90
  • Norm. En. per Res.: -4.6836
• 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	-71.5512	-22.3655	-327.61	-421.5266	90	13	6	13168	0	8	13
A-C	-4.3336	14.8104	-55.851	-45.3742	80	1	0	3149	0	18	14
A-D	0.0	0.0	-0.4968	-0.4968	18	0	1	208	0	0	4
B-C	-9.0583	0.0	-35.2139	-44.2722	10	1	0	995	0	0	1
B-D	-4.0358	15.0636	-60.9756	-49.9478	83	2	0	3511	0	18	16
C-D	-58.2502	-9.7324	-328.418	-396.4006	89	11	6	13071	2	9	13

Interface residues

• A-B: ALA115A, ALA115B, ALA142A, ALA142B, ALA159A, ALA159B, ALA227A, ARG139A, ARG139B, ARG140A, ARG140B, ARG163A, ARG163B, ASP120A, ASP120B, ASP150A, ASP150B, ASP154A, ASP154B, ASP171A, ASP171B, GLN170A, GLN170B, GLU149A, GLU149B, GLU153A, GLU153B, GLY116A, GLY116B, GLY162A, GLY162B, GLY164A, GLY164B, HIS113A, HIS113B, ILE137A, ILE137B, ILE144A, ILE144B, LEU114A, LEU114B, LEU128B, LEU132A, LEU132B, LEU143A, LEU143B, LEU148A, LEU148B, LEU156A, LEU156B, LEU157A, LEU157B, LEU165A, LEU165B, PHE141A, PHE141B, PRO118A, PRO118B, PRO119A, PRO119B, PRO136A, PRO136B, PRO147A, PRO147B, PRO152A, PRO152B, PRO160A, PRO160B, PRO166A, PRO166B, SER138A, SER138B, SER161A, SER161B, THR158A, THR158B, TRP112A, TRP112B, TRP155A, TRP155B, TRP168A, TRP168B, VAL151A, VAL151B, VAL167A, VAL167B, VAL169A, VAL169B, VAL172A, VAL172B
• A-C: ALA107A, ALA107C, ALA110A, ALA110C, ALA159A, ALA159C, ALA226C, ALA227C, ALA231C, ALA239C, ALA97A, ALA99A, ARG163C, ARG232C, ARG238C, ARG36A, ARG36C, ARG96A, ASP130A, ASP150A, ASP246C, ASP37A, ASP37C, ASP89A, CYS145A, GLU149A, GLU149C, GLU153A, GLU252A, GLY100A, GLY100C, GLY104C, GLY106A, GLY106C, GLY108A, GLY108C, GLY146A, GLY146C, GLY162C, GLY164C, GLY229C, GLY230C, GLY249C, GLY38A, HIS113A, HIS113C, HIS242C, ILE102C, ILE144A, ILE235A, ILE40A, LEU132A, LEU148A, LEU148C, LEU157A, LEU157C, LEU165C, LEU228C, LEU245C, LEU92A, PRO105A, PRO105C, PRO109A, PRO109C, PRO111A, PRO111C, PRO147A, PRO147C, PRO160C, SER161C, SER35A, THR131A, THR158A, THR93A, THR95A, TRP112C, TYR103A, TYR103C, VAL151A, VAL98A
• A-D: ALA159A, ALA159D, ARG163A, ARG163D, GLY162A, GLY162D, HIS113A, HIS113D, LEU148A, LEU148D, PRO109A, PRO109D, PRO111A, PRO111D, PRO160A, PRO160D, SER161A, SER161D
• B-C: ARG163B, ARG163C, GLY162B, GLY162C, GLY164B, GLY164C, PRO160B, PRO160C, SER161B, SER161C
• B-D: ALA107B, ALA107D, ALA110B, ALA110D, ALA159B, ALA159D, ALA226B, ALA227B, ALA231B, ALA239B, ALA97D, ALA99D, ARG101D, ARG163B, ARG232B, ARG238B, ARG36B, ARG36D, ARG96D, ASP130D, ASP150D, ASP246B, ASP37B, ASP37D, ASP89D, CYS145D, GLN243B, GLU149B, GLU149D, GLU153D, GLY100B, GLY100D, GLY104B, GLY106B, GLY106D, GLY108B, GLY108D, GLY146B, GLY146D, GLY162B, GLY164B, GLY229B, GLY230B, GLY249B, GLY38D, HIS113B, HIS113D, HIS242B, ILE102B, ILE144D, ILE235B, ILE40D, LEU132D, LEU148B, LEU148D, LEU157B, LEU157D, LEU165B, LEU228B, LEU245B, LEU92D, PRO105B, PRO105D, PRO109B, PRO109D, PRO111B, PRO111D, PRO129D, PRO147B, PRO147D, PRO160B, SER161B, SER250B, SER35D, THR131D, THR158D, THR93D, THR95D, TRP112B, TYR103B, TYR103D, VAL151D, VAL98D
• C-D: ALA115C, ALA115D, ALA142C, ALA142D, ALA159C, ALA159D, ARG139C, ARG139D, ARG140C, ARG140D, ARG163C, ARG163D, ASP120C, ASP120D, ASP150C, ASP150D, ASP154C, ASP154D, ASP171C, ASP171D, GLN170C, GLN170D, GLU149C, GLU149D, GLU153C, GLU153D, GLY116C, GLY116D, GLY162C, GLY162D, GLY164C, GLY164D, HIS113C, HIS113D, ILE137C, ILE137D, ILE144C, ILE144D, LEU114C, LEU114D, LEU128C, LEU132C, LEU132D, LEU143C, LEU143D, LEU148C, LEU148D, LEU156C, LEU156D, LEU157C, LEU157D, LEU165C, LEU165D, PHE141C, PHE141D, PRO118C, PRO118D, PRO119C, PRO119D, PRO136C, PRO136D, PRO147C, PRO147D, PRO152C, PRO152D, PRO160C, PRO160D, PRO166C, PRO166D, SER138C, SER138D, SER161C, SER161D, THR158C, THR158D, TRP112C, TRP112D, TRP155C, TRP155D, TRP168C, TRP168D, VAL151C, VAL151D, VAL167C, VAL167D, VAL169C, VAL169D, VAL172C, VAL172D