1ZMO

apo structure of haloalcohol dehalogenase hhea of arthrobacter sp. ad2

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-H
  • Int. Res.: 145
  • Norm. En. per Res.: -4.6268
• Hub Node: A(5)

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	-33.3731	-155.7796	-351.315	-540.4677	138	20	21	16431	14	24	22
A-C	-139.9756	-63.2297	-459.734	-662.9393	148	17	19	17163	2	26	27
A-D	0.0	0.0	-15.0787	-15.0787	23	1	0	605	0	8	8
A-G	-13.0146	-44.3859	-90.403	-147.8035	72	4	0	4260	3	33	33
A-H	0.0	0.0	-0.0957	-0.0957	5	0	0	46	0	1	2
B-C	0.0	0.0	-16.8511	-16.8511	23	0	0	689	0	8	8
B-D	-132.0104	-70.9126	-435.506	-638.429	148	22	18	17077	3	28	25
B-H	0.0	0.0	-0.159	-0.159	2	0	0	32	0	1	3
C-D	-51.8754	-158.7685	-356.492	-567.1359	137	15	20	16299	16	22	23
E-F	-46.3804	-160.8715	-349.569	-556.8209	139	18	20	16237	16	23	24
E-G	0.0	0.0	-15.404	-15.404	23	1	0	612	0	8	8
E-H	-160.215	-56.0294	-454.648	-670.8924	145	14	19	17072	2	27	26
F-G	-125.0922	-62.249	-435.851	-623.1922	148	29	18	17147	2	27	23
F-H	0.0	0.0	-15.1055	-15.1055	23	0	0	601	0	8	8
G-H	-49.2332	-146.2593	-362.948	-558.4405	138	16	21	16375	14	24	23

Interface residues

• A-B: ALA117A, ALA117B, ALA119A, ALA119B, ALA142A, ALA142B, ALA150A, ALA150B, ALA152A, ALA152B, ALA153A, ALA153B, ALA156A, ALA156B, ALA161A, ALA161B, ALA162A, ALA162B, ALA97A, ALA97B, ARG100A, ARG100B, ARG122A, ARG122B, ARG151A, ARG151B, ARG61B, ASN144A, ASN144B, ASP168A, ASP168B, ASP98A, ASP98B, GLN101A, GLN115A, GLN115B, GLN234A, GLN234B, GLU104A, GLU104B, GLU159A, GLU159B, GLU60A, GLU60B, GLU92A, GLU92B, GLU96A, GLU96B, GLY137A, GLY137B, GLY148A, GLY148B, GLY233A, GLY233B, GLY93A, GLY93B, ILE108A, ILE108B, ILE111A, ILE111B, ILE118A, ILE118B, ILE170A, ILE170B, ILE99A, ILE99B, LEU106B, LEU112A, LEU112B, LEU113A, LEU114A, LEU114B, LEU141A, LEU141B, LEU146A, LEU146B, LEU157A, LEU157B, LEU165A, LEU165B, LEU172A, LEU172B, LEU89A, LEU89B, LEU91A, LEU91B, LYS138A, LYS138B, LYS139A, LYS139B, LYS163A, LYS163B, MET102A, MET102B, PHE103A, PHE103B, PHE109A, PHE109B, PHE131A, PHE131B, PRO110A, PRO110B, PRO120A, PRO120B, PRO140A, PRO140B, PRO145A, PRO145B, PRO149A, PRO149B, PRO59A, PRO59B, PRO90A, PRO90B, SER107A, SER107B, SER116A, SER116B, SER160A, SER160B, SER95A, SER95B, THR154A, THR154B, THR164A, THR164B, THR94A, THR94B, TYR143A, TYR143B, TYR147A, TYR147B, VAL136A, VAL136B, VAL155A, VAL155B, VAL158A, VAL158B
• A-C: ALA156A, ALA156C, ALA161A, ALA161C, ALA162A, ALA162C, ALA174A, ALA174C, ALA20A, ALA20C, ALA218A, ALA218C, ALA228A, ALA228C, ALA229A, ALA229C, ALA237A, ALA237C, ARG167A, ARG167C, ARG198A, ARG198C, ARG200A, ARG200C, ARG203A, ARG203C, ARG209A, ARG209C, ARG212A, ARG212C, ARG226A, ARG226C, ARG227A, ARG227C, ASN178A, ASN178C, ASN181A, ASN181C, ASP168A, ASP168C, ASP202A, ASP202C, ASP204A, ASP204C, ASP214A, ASP214C, ASP24A, ASP24C, GLN234A, GLN234C, GLU159A, GLU159C, GLU199A, GLU199C, GLU215A, GLU215C, GLY169A, GLY169C, GLY176A, GLY176C, GLY208A, GLY208C, GLY211A, GLY211C, GLY217A, GLY217C, GLY233A, GLY233C, GLY240A, GLY240C, GLY241A, GLY241C, ILE170A, ILE170C, ILE175A, ILE175C, ILE220A, ILE220C, ILE231A, ILE231C, LEU165A, LEU165C, LEU171A, LEU171C, LEU207A, LEU207C, LEU210A, LEU210C, LEU219A, LEU219C, LEU223A, LEU223C, LEU243A, LEU243C, LYS138A, LYS138C, LYS163A, LYS163C, MET216A, MET216C, PHE179A, PHE179C, PHE180A, PHE180C, PHE222A, PHE222C, PHE235A, PHE235C, PHE236A, PHE236C, PHE238A, PHE238C, PRO177A, PRO177C, PRO206A, PRO206C, PRO213A, PRO213C, PRO230A, PRO230C, PRO244A, PRO244C, SER160A, SER160C, SER166A, SER166C, SER225A, SER225C, THR164A, THR164C, THR221A, THR221C, THR239A, THR239C, TRP191C, TYR173C, TYR242A, TYR242C, VAL155A, VAL155C, VAL158A, VAL158C, VAL201A, VAL201C, VAL205A, VAL205C, VAL232A, VAL232C
• A-D: ALA142A, ALA142D, ARG203A, ARG203D, ASP204D, GLY241A, GLY241D, LEU141A, LEU141D, LEU243A, LEU243D, LYS138A, LYS138D, LYS139A, LYS139D, PRO140A, PRO140D, PRO206A, PRO206D, PRO244A, PRO244D, TYR242A, TYR242D
• A-G: ALA33A, ALA33G, ALA36A, ALA38A, ALA39A, ALA39G, ALA55A, ALA65A, ALA97A, ALA97G, ALA9G, ARG10G, ARG41A, ARG43A, ARG43G, ARG61A, ARG84A, ARG84G, ASN181G, ASN182G, ASN193G, ASN194G, ASP190G, ASP32A, ASP32G, ASP37A, ASP37G, ASP98A, GLN101A, GLN42A, GLN57A, GLN68A, GLU196G, GLU40A, GLU40G, GLU45A, GLU47A, GLU47G, GLU56A, GLU92G, GLU96A, GLY93G, HIS11G, ILE82G, LEU54A, LYS58A, MET86A, MET86G, PHE12G, PHE186G, PHE35A, PHE44A, PHE44G, PRO15G, PRO183G, PRO187G, PRO195G, PRO83G, PRO85A, PRO85G, PRO90G, SER189G, SER34A, SER34G, SER46A, SER95A, SER95G, THR184G, THR188G, THR94G, TYR185G, TYR81G
• A-H: ALA119H, ALA97A, ARG122H, GLU96A, SER95A
• B-C: ALA142B, ALA142C, ARG203B, ARG203C, ASP204B, GLY241B, GLY241C, LEU141B, LEU141C, LEU243B, LEU243C, LYS138B, LYS138C, LYS139B, LYS139C, PRO140B, PRO140C, PRO206B, PRO206C, PRO244B, PRO244C, TYR242B, TYR242C
• B-D: ALA156B, ALA156D, ALA161B, ALA161D, ALA162B, ALA162D, ALA20B, ALA20D, ALA218B, ALA218D, ALA228B, ALA228D, ALA229B, ALA229D, ALA237B, ALA237D, ARG167B, ARG167D, ARG198B, ARG198D, ARG200B, ARG200D, ARG203B, ARG203D, ARG209B, ARG209D, ARG212B, ARG212D, ARG226B, ARG226D, ARG227B, ARG227D, ASN178B, ASN178D, ASN181B, ASN181D, ASP168B, ASP168D, ASP202B, ASP202D, ASP204B, ASP204D, ASP214B, ASP214D, ASP24B, ASP24D, GLN234B, GLN234D, GLN23B, GLU159B, GLU159D, GLU199B, GLU199D, GLU215B, GLU215D, GLY169B, GLY169D, GLY176B, GLY176D, GLY208B, GLY208D, GLY211B, GLY211D, GLY217B, GLY217D, GLY233B, GLY233D, GLY240B, GLY240D, GLY241B, GLY241D, ILE170B, ILE170D, ILE175B, ILE175D, ILE220B, ILE220D, ILE231B, ILE231D, LEU165B, LEU165D, LEU171B, LEU171D, LEU207B, LEU207D, LEU210B, LEU210D, LEU219B, LEU219D, LEU223B, LEU223D, LEU243B, LEU243D, LYS138B, LYS138D, LYS139B, LYS163B, LYS163D, MET216B, MET216D, PHE179B, PHE179D, PHE180B, PHE180D, PHE222B, PHE222D, PHE235B, PHE235D, PHE236B, PHE236D, PHE238B, PHE238D, PRO177B, PRO177D, PRO206B, PRO206D, PRO213B, PRO213D, PRO230B, PRO230D, PRO244B, PRO244D, SER160B, SER160D, SER166B, SER166D, SER225B, SER225D, THR164B, THR164D, THR221B, THR221D, THR239B, THR239D, TYR173B, TYR173D, TYR242B, TYR242D, VAL155B, VAL155D, VAL158B, VAL158D, VAL201B, VAL201D, VAL205B, VAL205D, VAL232B, VAL232D
• B-H: ALA123H, ARG61B
• C-D: ALA117C, ALA117D, ALA119C, ALA119D, ALA142C, ALA142D, ALA150C, ALA150D, ALA152C, ALA152D, ALA153C, ALA153D, ALA156C, ALA156D, ALA161C, ALA161D, ALA162C, ALA162D, ALA97C, ALA97D, ARG100C, ARG100D, ARG122C, ARG122D, ARG151C, ARG151D, ASN144C, ASN144D, ASP168C, ASP98C, ASP98D, GLN101C, GLN101D, GLN115C, GLN115D, GLN234C, GLN234D, GLU104C, GLU104D, GLU159C, GLU159D, GLU60C, GLU60D, GLU92C, GLU92D, GLU96C, GLU96D, GLY137C, GLY137D, GLY148C, GLY148D, GLY233C, GLY233D, GLY93C, GLY93D, ILE108C, ILE108D, ILE111C, ILE111D, ILE118C, ILE118D, ILE170C, ILE170D, ILE99C, ILE99D, LEU112C, LEU112D, LEU113C, LEU114C, LEU114D, LEU141C, LEU141D, LEU146C, LEU146D, LEU157C, LEU157D, LEU165C, LEU165D, LEU172C, LEU172D, LEU89C, LEU89D, LEU91C, LEU91D, LYS138C, LYS138D, LYS139C, LYS139D, LYS163C, LYS163D, LYS58D, MET102C, MET102D, PHE103C, PHE103D, PHE109C, PHE109D, PHE131C, PHE131D, PRO110C, PRO110D, PRO120C, PRO120D, PRO140C, PRO140D, PRO145C, PRO145D, PRO149C, PRO149D, PRO59C, PRO59D, PRO90C, PRO90D, SER107C, SER107D, SER116C, SER116D, SER160C, SER160D, SER95C, SER95D, THR154C, THR154D, THR164C, THR164D, THR94C, THR94D, TYR143C, TYR143D, TYR147C, TYR147D, VAL136C, VAL136D, VAL155C, VAL155D, VAL158C, VAL158D
• E-F: ALA117E, ALA117F, ALA119E, ALA119F, ALA142E, ALA142F, ALA150E, ALA150F, ALA152E, ALA152F, ALA153E, ALA153F, ALA156E, ALA156F, ALA161E, ALA161F, ALA162E, ALA162F, ALA97E, ALA97F, ARG100E, ARG100F, ARG122E, ARG122F, ARG151E, ARG151F, ASN144E, ASN144F, ASP168E, ASP168F, ASP98E, ASP98F, GLN101E, GLN101F, GLN115E, GLN115F, GLN234E, GLN234F, GLU104E, GLU104F, GLU159E, GLU159F, GLU60E, GLU60F, GLU92E, GLU92F, GLU96E, GLU96F, GLY137E, GLY137F, GLY148E, GLY148F, GLY233E, GLY233F, GLY93E, GLY93F, ILE108E, ILE108F, ILE111E, ILE111F, ILE118E, ILE118F, ILE170E, ILE170F, ILE99E, ILE99F, LEU112E, LEU112F, LEU113E, LEU114E, LEU114F, LEU141E, LEU141F, LEU146E, LEU146F, LEU157E, LEU157F, LEU165E, LEU165F, LEU172E, LEU172F, LEU89E, LEU89F, LEU91E, LEU91F, LYS138E, LYS138F, LYS139E, LYS139F, LYS163E, LYS163F, LYS58E, LYS58F, MET102E, MET102F, PHE103E, PHE103F, PHE109E, PHE109F, PHE131E, PHE131F, PRO110E, PRO110F, PRO120E, PRO120F, PRO140E, PRO140F, PRO145E, PRO145F, PRO149E, PRO149F, PRO59E, PRO59F, PRO90E, PRO90F, SER107E, SER107F, SER116E, SER116F, SER160E, SER160F, SER95E, SER95F, THR154E, THR154F, THR164E, THR164F, THR94E, THR94F, TYR143E, TYR143F, TYR147E, TYR147F, VAL136E, VAL136F, VAL155E, VAL155F, VAL158E, VAL158F
• E-G: ALA142E, ALA142G, ARG203E, ARG203G, ASP204G, GLY241E, GLY241G, LEU141E, LEU141G, LEU243E, LEU243G, LYS138E, LYS138G, LYS139E, LYS139G, PRO140E, PRO140G, PRO206E, PRO206G, PRO244E, PRO244G, TYR242E, TYR242G
• E-H: ALA156E, ALA156H, ALA161E, ALA161H, ALA162E, ALA162H, ALA20E, ALA20H, ALA218E, ALA218H, ALA228E, ALA228H, ALA229E, ALA229H, ALA237E, ALA237H, ARG167E, ARG167H, ARG198E, ARG198H, ARG200E, ARG200H, ARG203E, ARG203H, ARG209E, ARG209H, ARG212E, ARG212H, ARG226E, ARG226H, ARG227E, ARG227H, ASN178E, ASN178H, ASN181E, ASN181H, ASP168E, ASP168H, ASP202E, ASP202H, ASP204E, ASP204H, ASP214E, ASP214H, ASP24E, ASP24H, GLN234E, GLN234H, GLU159E, GLU159H, GLU199E, GLU199H, GLU215E, GLU215H, GLY169E, GLY169H, GLY176E, GLY176H, GLY208E, GLY208H, GLY211E, GLY211H, GLY217E, GLY217H, GLY233E, GLY233H, GLY240E, GLY240H, GLY241E, GLY241H, ILE170E, ILE170H, ILE175E, ILE175H, ILE220E, ILE220H, ILE231E, ILE231H, LEU165E, LEU165H, LEU171E, LEU171H, LEU207E, LEU207H, LEU210E, LEU210H, LEU219E, LEU219H, LEU223E, LEU223H, LEU243E, LEU243H, LYS138E, LYS138H, LYS163E, LYS163H, MET216E, MET216H, PHE179E, PHE179H, PHE180E, PHE180H, PHE222E, PHE222H, PHE235E, PHE235H, PHE236E, PHE236H, PHE238E, PHE238H, PRO177E, PRO177H, PRO206E, PRO206H, PRO213E, PRO213H, PRO230E, PRO230H, PRO244E, PRO244H, SER160E, SER160H, SER166E, SER166H, SER225E, SER225H, THR164E, THR164H, THR221E, THR221H, THR239E, THR239H, TYR173H, TYR242E, TYR242H, VAL155E, VAL155H, VAL158E, VAL158H, VAL201E, VAL201H, VAL205E, VAL205H, VAL232E, VAL232H
• F-G: ALA156F, ALA156G, ALA161F, ALA161G, ALA162F, ALA162G, ALA174G, ALA20F, ALA20G, ALA218F, ALA218G, ALA228F, ALA228G, ALA229F, ALA229G, ALA237F, ALA237G, ARG167F, ARG167G, ARG198F, ARG198G, ARG200F, ARG200G, ARG203F, ARG203G, ARG209F, ARG209G, ARG212F, ARG212G, ARG226F, ARG226G, ARG227F, ARG227G, ASN178F, ASN178G, ASN181F, ASN181G, ASP168F, ASP168G, ASP202F, ASP202G, ASP204F, ASP204G, ASP214F, ASP214G, ASP24F, ASP24G, GLN234F, GLN234G, GLU159F, GLU159G, GLU199F, GLU199G, GLU215F, GLU215G, GLY169F, GLY169G, GLY176F, GLY176G, GLY208F, GLY208G, GLY211F, GLY211G, GLY217F, GLY217G, GLY233F, GLY233G, GLY240F, GLY240G, GLY241F, GLY241G, ILE170F, ILE170G, ILE175F, ILE175G, ILE220F, ILE220G, ILE231F, ILE231G, LEU165F, LEU165G, LEU171F, LEU171G, LEU207F, LEU207G, LEU210F, LEU210G, LEU219F, LEU219G, LEU223F, LEU223G, LEU243F, LEU243G, LYS138F, LYS138G, LYS163F, LYS163G, MET216F, MET216G, PHE179F, PHE179G, PHE180F, PHE180G, PHE222F, PHE222G, PHE235F, PHE235G, PHE236F, PHE236G, PHE238F, PHE238G, PRO177F, PRO177G, PRO206F, PRO206G, PRO213F, PRO213G, PRO230F, PRO230G, PRO244F, PRO244G, SER160F, SER160G, SER166F, SER166G, SER225F, SER225G, THR164F, THR164G, THR221F, THR221G, THR239F, THR239G, TRP191F, TYR173F, TYR173G, TYR242F, TYR242G, VAL155F, VAL155G, VAL158F, VAL158G, VAL201F, VAL201G, VAL205F, VAL205G, VAL232F, VAL232G
• F-H: ALA142F, ALA142H, ARG203F, ARG203H, ASP204F, GLY241F, GLY241H, LEU141F, LEU141H, LEU243F, LEU243H, LYS138F, LYS138H, LYS139F, LYS139H, PRO140F, PRO140H, PRO206F, PRO206H, PRO244F, PRO244H, TYR242F, TYR242H
• G-H: ALA117G, ALA117H, ALA119G, ALA119H, ALA142G, ALA142H, ALA150G, ALA150H, ALA152G, ALA152H, ALA153G, ALA153H, ALA156G, ALA156H, ALA161G, ALA161H, ALA162G, ALA162H, ALA97G, ALA97H, ARG100G, ARG100H, ARG122G, ARG122H, ARG151G, ARG151H, ASN144G, ASN144H, ASP168G, ASP168H, ASP98G, ASP98H, GLN101H, GLN115G, GLN115H, GLN234G, GLN234H, GLU104G, GLU104H, GLU159G, GLU159H, GLU60G, GLU60H, GLU92G, GLU92H, GLU96G, GLU96H, GLY137G, GLY137H, GLY148G, GLY148H, GLY233G, GLY233H, GLY93G, GLY93H, ILE108G, ILE108H, ILE111G, ILE111H, ILE118G, ILE118H, ILE170G, ILE170H, ILE99G, ILE99H, LEU106G, LEU112G, LEU112H, LEU113G, LEU113H, LEU114G, LEU114H, LEU141G, LEU141H, LEU146G, LEU146H, LEU157G, LEU157H, LEU165G, LEU165H, LEU172G, LEU172H, LEU89G, LEU89H, LEU91G, LEU91H, LYS138G, LYS138H, LYS139G, LYS139H, LYS163G, LYS163H, MET102G, MET102H, PHE103G, PHE103H, PHE109G, PHE109H, PHE131G, PHE131H, PRO110G, PRO110H, PRO120G, PRO120H, PRO140G, PRO140H, PRO145G, PRO145H, PRO149G, PRO149H, PRO59G, PRO59H, PRO90G, PRO90H, SER107G, SER107H, SER116G, SER116H, SER160G, SER160H, SER95G, SER95H, THR154G, THR154H, THR164G, THR164H, THR94G, THR94H, TYR143G, TYR143H, TYR147G, TYR147H, VAL136G, VAL136H, VAL155G, VAL155H, VAL158G, VAL158H