2ODF

the crystal structure of gene product atu2144 from agrobacterium tumefaciens

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 104
  • Norm. En. per Res.: -4.1022
• Hub Node: B(4)

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-D	-15.5321	-91.7984	-192.762	-300.0925	91	3	6	7739	5	47	54
B-C	0.0	17.5343	-43.6086	-26.0743	37	2	1	1829	0	6	9
B-D	-7.7171	3.9992	-50.5581	-54.2761	47	1	1	2264	0	8	9
B-F	-21.2681	-151.1519	-254.21	-426.63	104	8	6	9703	4	54	61
B-G	-24.7515	91.977	-87.3824	-20.1569	48	3	2	3064	0	14	24
C-D	-16.1868	21.8983	-99.1883	-93.4767	50	3	0	3707	3	25	18
C-H	-3.9879	-98.2695	-189.695	-291.9525	86	2	6	7554	4	44	52
E-G	-7.4092	-91.8088	-193.326	-292.5439	90	4	6	7660	4	46	50

Interface residues

• A-D: ALA117A, ALA117D, ALA121A, ALA121D, ALA125A, ALA125D, ALA139D, ALA214A, ALA214D, ALA98D, ARG119A, ARG119D, ARG133A, ARG133D, ARG211A, ARG211D, ARG6A, ARG6A5, ARG91A, ARG91D, ASN175A, ASN175D, ASN90A, ASN90D, ASP115A, ASP115D, ASP132A, ASP132D, ASP174A, ASP174D, ASP217A, ASP217D, CB9.91590-4.37189, GLU116A, GLU116D, GLU118A, GLU118D, GLU136D, GLU94A, GLU94D, GLY205A, GLY205D, HIS131A, HIS131D, HIS208A, HIS208D, HIS213A, HIS213D, LEU114A, LEU210A, LEU210D, LEU212A, LEU212D, LEU215A, LEU215D, MET99A, MET99D, PHE120A, PHE120D, PHE130A, PHE130D, PRO129A, PRO129D, PRO202D, PRO216A, PRO216D, PRO92A, PRO92D, PRO93A, PRO93D, PRO96A, SER124A, SER124D, SER135A, SER135D, SER95A, SER95D, THR123A, THR123D, THR207A, THR207D, THR209A, THR209D, TYR127A, TYR127D, TYR87A, TYR87D, VAL128A, VAL128D, VAL134A, VAL134D
• B-C: ALA232B, ALA232C, ALA49B, ALA49C, ARG163C, ARG165C, ARG227C, ASN228B, ASN233B, ASP229B, ASP229C, ASP50B, ASP50C, GLU166C, GLU234B, GLU236B, GLY162C, GLY235B, HIS161C, ILE231B, LEU230B, LEU52B, LEU52C, PHE164C, PRO158C, SER48B, SER48C, SER53B, SER53C, SER54B, SER54C, TRP58C, TYR106B, TYR160C, VAL159C, VAL51B, VAL51C
• B-D: ALA232D, ALA238D, ALA239D, ALA241D, ALA49B, ARG122B, ASN111B, ASN233D, ASP107B, ASP115B, ASP229D, ASP50B, GLN237D, GLN40B, GLU118B, GLU168D, GLU234D, GLU236D, GLU246D, GLY110B, GLY235D, GLY242D, GLY43B, GLY46B, ILE108B, ILE231D, ILE240D, ILE38B, LEU114B, LEU192D, LEU230D, LEU45B, LEU47B, LEU52B, LEU68D, LYS41B, LYS72D, PHE112B, PHE243D, PRO109B, PRO39B, SER191D, SER48B, THR44B, TYR106B, TYR42B, VAL51B
• B-F: ALA117B, ALA117F, ALA121B, ALA121F, ALA125B, ALA125F, ALA139B, ALA139F, ALA214B, ALA214F, ALA98B, ARG119B, ARG119F, ARG133B, ARG133F, ARG211B, ARG211F, ARG6B, ARG6F, ARG91B, ARG91F, ASN175B, ASN90B, ASN90F, ASP115B, ASP115F, ASP132B, ASP132F, ASP174B, ASP174F, ASP217B, ASP217F, CYS89B, GLU116B, GLU116F, GLU118B, GLU118F, GLU136B, GLU136F, GLU140B, GLU140F, GLU94B, GLU94F, GLY205B, GLY205F, HIS131B, HIS131F, HIS208B, HIS208F, HIS213B, HIS213F, ILE137B, ILE137F, ILE138B, ILE138F, LEU114B, LEU114F, LEU126B, LEU210B, LEU210F, LEU212B, LEU212F, LEU215B, LEU215F, MET99B, MET99F, PHE120B, PHE120F, PHE130B, PHE130F, PRO129B, PRO129F, PRO202B, PRO216B, PRO216F, PRO92B, PRO92F, PRO93B, PRO93F, PRO96B, PRO96F, SER124B, SER124F, SER135B, SER135F, SER5B, SER95B, SER95F, THR123B, THR123F, THR207B, THR207F, THR209B, THR209F, THR2B, TYR127B, TYR127F, TYR87B, TYR87F, VAL128B, VAL128F, VAL134B, VAL134F, VAL3B
• B-G: ALA232G, ALA238G, ALA239G, ALA241G, ALA64G, ARG165B, ARG195B, ARG196B, ARG227B, ARG67G, ASN197B, ASN233G, ASP198B, ASP204B, ASP229G, GLN237G, GLU104B, GLU166B, GLU19G, GLU203B, GLU234G, GLU236G, GLU246G, GLU71G, GLY201B, GLY235G, GLY242G, HIS245G, ILE105B, LEU172B, LEU230G, LEU68G, LYS102B, LYS250G, LYS72G, PHE156B, PHE164B, PRO158B, PRO199B, PRO202B, PRO96B, SER191G, THR157B, TYR160B, TYR200B, VAL159B, VAL167B, VAL206B
• C-D: ALA180C, ALA185C, ALA187C, ALA187D, ALA190C, ALA190D, ARG163C, ARG163D, ARG165C, ARG165D, ARG195C, ARG195D, ARG196C, ARG227D, ASP181C, ASP198C, ASP229D, GLU166C, GLU166D, GLU168C, GLU168D, GLU188C, GLU188D, GLY162C, GLY162D, GLY186C, GLY189C, GLY189D, HIS161C, HIS161D, ILE169C, ILE171C, LEU184C, LEU192C, LEU192D, LEU230D, MET183C, PHE164C, PHE164D, PRO158D, SER191C, SER191D, THR193C, THR193D, TYR160D, VAL159D, VAL167C, VAL167D, VAL194C, VAL194D
• C-H: ALA117C, ALA117H, ALA121C, ALA121H, ALA125C, ALA125H, ALA139C, ALA214C, ALA214H, ARG119C, ARG119H, ARG133C, ARG133H, ARG211C, ARG211H, ARG6H, ARG91C, ARG91H, ASN175H, ASN90C, ASN90H, ASP115C, ASP115H, ASP132C, ASP132H, ASP174H, ASP217C, ASP217H, GLN142C, GLU116C, GLU116H, GLU118C, GLU118H, GLU136C, GLU136H, GLU94C, GLU94H, GLY205C, GLY205H, HIS131C, HIS131H, HIS208C, HIS208H, HIS213C, HIS213H, LEU210C, LEU210H, LEU212C, LEU212H, LEU215C, LEU215H, MET99C, MET99H, PHE120C, PHE120H, PHE130C, PHE130H, PRO129C, PRO129H, PRO216C, PRO216H, PRO92C, PRO92H, PRO93C, PRO93H, PRO96C, SER124C, SER124H, SER135C, SER135H, SER95C, SER95H, THR123C, THR123H, THR207C, THR207H, THR209C, THR209H, TYR127C, TYR127H, TYR87C, TYR87H, VAL128C, VAL128H, VAL134C, VAL134H
• E-G: ALA117E, ALA117G, ALA121E, ALA121G, ALA125E, ALA125G, ALA139G, ALA214E, ALA214G, ALA98G, ARG119E, ARG119G, ARG133E, ARG133G, ARG211E, ARG211G, ARG6E, ARG91E, ARG91G, ASN175E, ASN90E, ASN90G, ASP115E, ASP115G, ASP132E, ASP132G, ASP174E, ASP174G, ASP217E, ASP217G, GLU116E, GLU116G, GLU118E, GLU118G, GLU136E, GLU136G, GLU94E, GLU94G, GLY205E, GLY205G, HIS131E, HIS131G, HIS208E, HIS208G, HIS213E, HIS213G, LEU126G, LEU210E, LEU210G, LEU212E, LEU212G, LEU215E, LEU215G, MET99E, MET99G, PHE120E, PHE120G, PHE130E, PHE130G, PRO129E, PRO129G, PRO202E, PRO216E, PRO216G, PRO92E, PRO92G, PRO93E, PRO93G, PRO96E, PRO96G, SER124E, SER124G, SER135E, SER135G, SER95E, SER95G, THR123E, THR123G, THR207E, THR207G, THR209E, THR209G, TYR127E, TYR127G, TYR87E, TYR87G, VAL128E, VAL128G, VAL134E, VAL134G