1T0S

structure of the toluene/o-xylene monooxygenase hydroxylase with 4- bromophenol bound

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 325
  • Norm. En. per Res.: -4.9214
• Hub Node: A(2)

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	-234.2825	-41.7529	-1323.41	-1599.4454	325	91	20	48327	6	89	95
A-C	-64.1278	-60.7124	-446.386	-571.2262	121	33	11	17013	2	48	39

Interface residues

• A-B: ALA101A, ALA106A, ALA107A, ALA110A, ALA112A, ALA115A, ALA118A, ALA120A, ALA127A, ALA128B, ALA134B, ALA146B, ALA147A, ALA148B, ALA155B, ALA158A, ALA160B, ALA169A, ALA170B, ALA171A, ALA172A, ALA177B, ALA19B, ALA209B, ALA212B, ALA69A, ALA8B, ARG107B, ARG113A, ARG116A, ARG124A, ARG129B, ARG136A, ARG14A, ARG151A, ARG153A, ARG164B, ARG172B, ARG173A, ARG174B, ARG183A, ARG188B, ARG190B, ARG203B, ARG233A, ARG24B, ARG263B, ARG264A, ARG424A, ARG443A, ARG44B, ARG453A, ARG63A, ARG6A, ARG84B, ASN105B, ASN123A, ASN125A, ASN135A, ASN148A, ASN153B, ASN165A, ASN178B, ASN17A, ASN195B, ASN26A, ASN34B, ASN398A, ASN401A, ASN41B, ASN446A, ASN449A, ASN51B, ASN73B, ASN87B, ASP102B, ASP106B, ASP11A, ASP133A, ASP156A, ASP161B, ASP177A, ASP178A, ASP184A, ASP191B, ASP196B, ASP230A, ASP260B, ASP40B, ASP440A, ASP49B, ASP66A, ASP8A, ASP91B, CYS154B, CYS179B, GLN103B, GLN136B, GLN139A, GLN141A, GLN144B, GLN200B, GLN55B, GLN62A, GLN90B, GLN93B, GLN98B, GLU103A, GLU104A, GLU111A, GLU134A, GLU158B, GLU175B, GLU189B, GLU194B, GLU204B, GLU207B, GLU25A, GLU27A, GLU27B, GLU29B, GLU31A, GLU32A, GLU42A, GLU442A, GLU458A, GLU45A, GLU474A, GLU47B, GLU57A, GLU64A, GLU7A, GLU94B, GLY108B, GLY122A, GLY130A, GLY138A, GLY138B, GLY186B, GLY201B, GLY476A, GLY92B, GLY99B, HIS133B, HIS137A, HIS143B, HIS159A, HIS162B, HIS163A, HIS168B, HIS17B, HIS36B, HIS447A, ILE140A, ILE142B, ILE145B, ILE151B, ILE162A, ILE170A, ILE206B, ILE211B, ILE222B, ILE227A, ILE53A, ILE61A, LEU102A, LEU104B, LEU12A, LEU12B, LEU131B, LEU135B, LEU142A, LEU163B, LEU166B, LEU176B, LEU18B, LEU205B, LEU210B, LEU28A, LEU295B, LEU35B, LEU473A, LEU48B, LEU4A, LEU52B, LEU81B, LEU88B, LEU89B, LEU9B, LYS10B, LYS13B, LYS150A, LYS154A, LYS160A, LYS187B, LYS208B, LYS21A, LYS298B, LYS445A, LYS456A, LYS5A, LYS65A, LYS73A, MET114A, MET126A, MET131A, MET132A, MET137B, MET179A, MET180A, MET181A, MET33A, MET399A, MET3A, MET41A, MET478A, MET54B, PHE101B, PHE117A, PHE129A, PHE132B, PHE144A, PHE175A, PHE176A, PHE185B, PHE202B, PHE29A, PHE38B, PHE437A, PHE97A, PRO11B, PRO121A, PRO145A, PRO197B, PRO20A, PRO25B, PRO30A, PRO441A, PRO45B, PRO475A, PRO53B, PRO56A, SER108A, SER139B, SER149B, SER152A, SER16B, SER174A, SER185A, SER26B, SER2A, SER32B, SER472A, SER50B, SER60A, SER67A, SER71A, SER95B, THR109A, THR126B, THR128A, THR13A, THR14B, THR150B, THR152B, THR156B, THR159B, THR15A, THR164A, THR167B, THR169B, THR16A, THR173B, THR182A, THR19A, THR24A, THR33B, THR39B, THR448A, THR54A, THR56B, THR85B, TRP155A, TRP157A, TRP15B, TRP165B, TRP18A, TRP193B, TRP199B, TRP213B, TRP292B, TRP46B, TRP57B, TRP9A, TYR105A, TYR10A, TYR130B, TYR141B, TYR143A, TYR146A, TYR157B, TYR171B, TYR22A, TYR28B, TYR37B, TYR426A, TYR444A, TYR470A, TYR55A, TYR58A, TYR58B, TYR61B, TYR70A, TYR83B, TYR86B, VAL140B, VAL149A, VAL188A, VAL23A, VAL30B, VAL31B, VAL477A, VAL59A, VAL82B, VAL97B
• A-C: ALA405A, ARG12C, ARG355A, ARG41C, ARG424A, ARG42C, ARG434A, ARG54C, ARG55C, ARG74C, ASN366A, ASN379A, ASN398A, ASN40C, ASN410A, ASN413A, ASN449A, ASN9C, ASP13C, ASP367A, ASP374A, ASP378A, ASP416A, ASP452A, ASP58C, ASP80C, CYS34C, CYS372A, GLN17C, GLN371A, GLN418A, GLN46C, GLU11C, GLU326A, GLU386A, GLU391A, GLU420A, GLU57C, GLU77C, GLY330A, GLY334A, GLY370A, GLY409A, GLY423A, GLY429A, HIS329A, HIS332A, HIS37C, HIS406A, HIS427A, HIS44C, HIS56C, ILE16C, ILE376A, ILE396A, ILE39C, ILE404A, ILE6C, ILE81C, ILE82C, LEU18C, LEU333A, LEU387A, LEU393A, LEU402A, LEU419A, LEU425A, LEU450A, LEU455A, LEU73C, LEU79C, LYS384A, LYS411A, LYS415A, MET331A, MET7C, PHE10C, PHE14C, PHE428A, PHE454A, PHE4C, PHE83C, PRO20C, PRO385A, PRO390A, PRO394A, PRO403A, PRO408A, PRO45C, PRO5C, PRO75C, SER38C, SER8C, THR327A, THR368A, THR377A, THR388A, THR392A, THR395A, THR3C, THR407A, THR76C, THR78C, TRP336A, TRP338A, TRP369A, TRP373A, TRP412A, TYR337A, TYR36C, TYR417A, TYR421A, TYR426A, VAL15C, VAL19C, VAL335A, VAL375A, VAL389A, VAL414A, VAL43C, VAL451A