2JBT

structure of the monooxygenase component of p- hydroxyphenylacetate hydroxylase from acinetobacter baumannii

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 195
  • Norm. En. per Res.: -4.1282
• 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	-71.5328	-51.1131	-682.362	-805.0079	195	32	25	26509	6	56	55
A-C	0.0	0.0	-14.8216	-14.8216	14	0	0	748	0	4	3
A-D	-100.8332	-83.0959	-451.906	-635.835	181	26	20	17511	4	46	34
B-C	-93.2822	-83.7276	-458.57	-635.5798	181	31	20	17719	4	46	34
B-D	0.0	0.0	-14.5926	-14.5926	14	0	0	744	0	4	3
C-D	-81.7204	-49.7647	-635.545	-767.0301	192	28	23	25432	6	55	55

Interface residues

• A-B: ALA304A, ALA304B, ALA307A, ALA307B, ALA30A, ALA30B, ALA312A, ALA312B, ALA319A, ALA319B, ALA320A, ALA320B, ALA321A, ALA321B, ALA323A, ALA323B, ALA348A, ALA348B, ALA355A, ALA355B, ALA357A, ALA357B, ALA364A, ALA364B, ALA405A, ALA405B, ARG24A, ARG24B, ARG290A, ARG290B, ARG292B, ARG310A, ARG310B, ARG322A, ARG322B, ARG333A, ARG333B, ARG351A, ARG351B, ARG367A, ARG367B, ARG410A, ARG410B, ASN291A, ASN291B, ASN338A, ASN338B, ASN343A, ASN343B, ASN353A, ASN353B, ASP331A, ASP331B, ASP400A, ASP400B, ASP402A, ASP402B, ASP418A, ASP418B, CYS404A, CYS404B, GLN289A, GLN289B, GLN317A, GLN317B, GLN31A, GLN31B, GLN340A, GLN340B, GLN354A, GLN354B, GLN406A, GLN406B, GLU279A, GLU279B, GLU283A, GLU283B, GLU287A, GLU287B, GLU313A, GLU313B, GLU326A, GLU326B, GLU330A, GLU330B, GLU345A, GLU345B, GLU363A, GLU363B, GLU411A, GLU411B, GLU416A, GLU416B, GLY302A, GLY302B, GLY409A, GLY409B, GLY414A, GLY414B, HIS29A, HIS29B, HIS316A, HIS316B, HIS332A, HIS332B, HIS335A, HIS335B, ILE23A, ILE282A, ILE282B, ILE311A, ILE311B, ILE334A, ILE334B, ILE407A, ILE407B, LEU25A, LEU25B, LEU275A, LEU275B, LEU303A, LEU303B, LEU308A, LEU308B, LEU324A, LEU324B, LEU325A, LEU325B, LEU337B, LEU347A, LEU347B, LEU408A, LEU408B, LEU412A, LEU412B, LYS286A, LYS286B, LYS288A, LYS288B, LYS327A, LYS327B, LYS344A, LYS344B, LYS359A, LYS359B, MET309A, MET309B, MET360A, MET360B, MET413A, MET413B, MET415A, MET415B, MET421A, MET421B, PHE285A, PHE285B, PHE349A, PHE349B, PRO306A, PRO306B, PRO342A, PRO342B, SER314A, SER314B, THR28A, THR28B, THR305A, THR305B, THR315A, THR315B, THR328A, THR328B, THR346A, THR346B, THR352A, THR352B, TRP329A, TRP329B, TRP350A, TRP350B, TYR27A, TYR27B, TYR341A, TYR341B, TYR356A, TYR356B, TYR401A, TYR401B, VAL26A, VAL26B, VAL318A, VAL318B, VAL403A, VAL403B
• A-C: ALA304A, ALA304C, ALA307A, ALA307C, ARG310A, ARG310C, GLU313A, GLU313C, MET309A, MET309C, PRO306A, PRO306C, THR305A, THR305C
• A-D: ALA149A, ALA149D, ALA212A, ALA212D, ALA214A, ALA214D, ALA267A, ALA267D, ALA295A, ALA295D, ALA299A, ALA299D, ALA304A, ALA304D, ALA307A, ALA307D, ALA370A, ALA370D, ALA371A, ALA371D, ALA372A, ALA372D, ALA374A, ALA374D, ALA390A, ALA390D, ALA395A, ALA395D, ALA397A, ALA397D, ALA405A, ALA405D, ARG263A, ARG263D, ARG292A, ARG292D, ARG294A, ARG294D, ARG310A, ARG310D, ARG351A, ARG351D, ARG367A, ARG367D, ARG385A, ARG385D, ARG388A, ARG388D, ARG62A, ARG62D, ASN184A, ASN184D, ASN209A, ASN209D, ASN300A, ASN300D, ASN380A, ASN380D, ASP366A, ASP366D, ASP379A, ASP379D, ASP389A, ASP389D, ASP400A, ASP400D, ASP402A, ASP402D, ASP418A, ASP418D, CYS404A, CYS404D, GLN213A, GLN213D, GLN289A, GLN289D, GLN384A, GLN384D, GLN406A, GLN406D, GLU59A, GLU59D, GLY298A, GLY298D, GLY373A, GLY373D, GLY394A, GLY394D, HIS391A, HIS391D, HIS396A, HIS396D, ILE148A, ILE148D, ILE215A, ILE215D, ILE362A, ILE362D, ILE407A, ILE407D, LEU383A, LYS192A, LYS192D, LYS216A, LYS216D, LYS359A, LYS359D, MET309A, MET309D, MET369A, MET369D, MET378A, MET378D, MET392A, MET392D, MET421A, MET421D, PHE151A, PHE151D, PHE196D, PHE266A, PHE266D, PHE270A, PHE270D, PHE285A, PHE285D, PHE377A, PHE377D, PHE387A, PHE387D, PRO150A, PRO150D, PRO306A, PRO306D, PRO419A, PRO419D, SER147A, SER147D, SER218D, SER220A, SER220D, SER376A, SER376D, SER381A, SER381D, THR297A, THR297D, THR305A, THR305D, THR375A, THR375D, THR393A, THR393D, THR399A, THR399D, THR420A, THR420D, TRP112A, TRP112D, TRP169A, TRP169D, TRP210A, TRP210D, TYR194A, TYR194D, TYR211A, TYR211D, TYR296A, TYR296D, TYR398A, TYR398D, TYR401A, TYR401D, VAL293A, VAL293D, VAL301A, VAL301D, VAL403A, VAL403D, VAL422A, VAL422D
• B-C: ALA149B, ALA149C, ALA212B, ALA212C, ALA214B, ALA214C, ALA267B, ALA267C, ALA295B, ALA295C, ALA299B, ALA299C, ALA304B, ALA304C, ALA307B, ALA307C, ALA370B, ALA370C, ALA371B, ALA371C, ALA372B, ALA372C, ALA374B, ALA374C, ALA390B, ALA390C, ALA395B, ALA395C, ALA397B, ALA397C, ALA405B, ALA405C, ARG263B, ARG263C, ARG292B, ARG292C, ARG294B, ARG294C, ARG310B, ARG310C, ARG351B, ARG351C, ARG367B, ARG367C, ARG385B, ARG385C, ARG388B, ARG388C, ARG62B, ARG62C, ASN184B, ASN184C, ASN209B, ASN209C, ASN300B, ASN300C, ASN380B, ASN380C, ASP366B, ASP366C, ASP379B, ASP379C, ASP389B, ASP389C, ASP400B, ASP400C, ASP402B, ASP402C, ASP418B, ASP418C, CYS404B, CYS404C, GLN213B, GLN213C, GLN289B, GLN289C, GLN384B, GLN384C, GLN406B, GLN406C, GLU59B, GLU59C, GLY298B, GLY298C, GLY373B, GLY373C, GLY394B, GLY394C, HIS391B, HIS391C, HIS396B, HIS396C, ILE148B, ILE148C, ILE215B, ILE215C, ILE362B, ILE362C, ILE407B, ILE407C, LEU383B, LEU383C, LYS192B, LYS192C, LYS216B, LYS216C, LYS359B, LYS359C, MET309B, MET309C, MET369B, MET369C, MET378B, MET378C, MET392B, MET392C, MET421B, MET421C, PHE151B, PHE151C, PHE266B, PHE266C, PHE270B, PHE270C, PHE285B, PHE285C, PHE377B, PHE377C, PHE387B, PHE387C, PRO150B, PRO150C, PRO306B, PRO306C, PRO419B, PRO419C, SER147B, SER147C, SER218C, SER220B, SER220C, SER376B, SER376C, SER381B, SER381C, THR297B, THR297C, THR305B, THR305C, THR375B, THR375C, THR393B, THR393C, THR399B, THR399C, THR420B, THR420C, TRP112B, TRP112C, TRP169B, TRP169C, TRP210B, TRP210C, TYR194B, TYR194C, TYR211B, TYR211C, TYR296B, TYR296C, TYR398B, TYR398C, TYR401B, TYR401C, VAL293B, VAL293C, VAL301B, VAL301C, VAL403B, VAL403C, VAL422B, VAL422C
• B-D: ALA304B, ALA304D, ALA307B, ALA307D, ARG310B, ARG310D, GLU313B, GLU313D, MET309B, MET309D, PRO306B, PRO306D, THR305B, THR305D
• C-D: ALA304C, ALA304D, ALA307C, ALA307D, ALA30C, ALA30D, ALA312C, ALA312D, ALA319C, ALA319D, ALA320C, ALA320D, ALA321C, ALA321D, ALA323C, ALA323D, ALA348C, ALA348D, ALA355C, ALA355D, ALA357C, ALA357D, ALA364C, ALA364D, ALA405C, ALA405D, ARG24C, ARG24D, ARG290C, ARG290D, ARG292D, ARG310C, ARG310D, ARG322C, ARG322D, ARG333C, ARG333D, ARG351C, ARG351D, ARG367C, ARG367D, ARG410C, ARG410D, ASN291C, ASN291D, ASN338C, ASN338D, ASN343C, ASN343D, ASN353C, ASN353D, ASP331C, ASP331D, ASP400C, ASP400D, ASP402C, ASP402D, ASP418C, ASP418D, CYS404C, CYS404D, GLN289C, GLN289D, GLN317C, GLN317D, GLN31C, GLN31D, GLN340C, GLN340D, GLN354C, GLN354D, GLN406C, GLN406D, GLU279C, GLU279D, GLU283C, GLU283D, GLU287C, GLU287D, GLU313C, GLU313D, GLU326C, GLU326D, GLU330C, GLU330D, GLU345C, GLU345D, GLU363C, GLU363D, GLU411C, GLU411D, GLU416C, GLU416D, GLY302C, GLY302D, GLY409C, GLY409D, GLY414C, GLY414D, HIS29C, HIS29D, HIS316C, HIS316D, HIS332C, HIS332D, HIS335C, HIS335D, ILE282C, ILE282D, ILE311C, ILE311D, ILE334C, ILE334D, ILE407C, ILE407D, LEU25C, LEU25D, LEU275C, LEU303C, LEU303D, LEU308C, LEU308D, LEU324C, LEU324D, LEU325C, LEU325D, LEU347C, LEU347D, LEU408C, LEU408D, LEU412C, LEU412D, LYS286C, LYS286D, LYS288C, LYS288D, LYS327C, LYS327D, LYS344C, LYS344D, LYS359C, LYS359D, MET309C, MET309D, MET360C, MET360D, MET413C, MET413D, MET415C, MET415D, MET421C, MET421D, PHE285C, PHE285D, PHE349C, PHE349D, PRO306C, PRO306D, PRO342C, PRO342D, SER314C, SER314D, THR28C, THR28D, THR305C, THR305D, THR315C, THR315D, THR328C, THR328D, THR346C, THR346D, THR352C, THR352D, TRP329C, TRP329D, TRP350C, TRP350D, TYR27C, TYR27D, TYR341C, TYR341D, TYR356C, TYR356D, TYR401C, TYR401D, VAL26C, VAL26D, VAL318C, VAL318D, VAL403C, VAL403D