2AVF

crystal structure of c-terminal desundecapeptide nitrite reductase from achromobacter cycloclastes

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 144
  • Norm. En. per Res.: -4.217
• 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	-89.789	-101.267	-403.523	-594.579	147	16	5	15820	9	51	41
A-C	-101.9483	-106.0352	-401.793	-609.7765	151	20	7	16077	11	50	41
A-F	0.0	-8.4793	-12.0107	-20.49	14	0	0	408	2	5	10
B-C	-112.2459	-108.0479	-386.956	-607.2498	144	19	5	15458	9	49	42
C-E	0.0	0.0	-22.1426	-22.1426	23	0	0	945	0	6	2
C-F	0.0	-12.4867	-30.9914	-43.4781	39	0	0	1864	0	25	18
D-E	-104.0706	-101.1933	-392.642	-597.9059	146	18	5	15591	9	51	41
D-F	-79.2613	-90.8715	-374.877	-545.0098	141	15	5	15059	9	47	39
E-F	-98.706	-95.1358	-427.708	-621.5498	157	22	7	16977	9	51	42

Interface residues

• A-B: ALA101A, ALA102A, ALA105A, ALA126A, ALA137A, ALA153A, ALA206A, ALA209A, ALA248A, ALA266A, ALA266B, ALA288A, ALA302B, ALA311B, ARG211A, ARG250A, ARG250B, ARG253A, ARG253B, ARG271A, ARG296B, ASN151A, ASN249A, ASN272A, ASN305B, ASN307B, ASP182A, ASP251A, ASP251B, ASP262B, ASP275B, ASP277B, ASP53B, ASP98A, CYS136A, GLN247A, GLN278B, GLN297B, GLU139A, GLU165B, GLU279B, GLU310B, GLU313B, GLU55B, GLU77A, GLY104A, GLY107A, GLY108A, GLY109A, GLY130A, GLY140A, GLY258B, GLY259B, GLY261B, GLY268A, GLY285A, GLY286A, GLY289A, GLY299B, GLY315B, HIS100A, HIS135A, HIS145A, HIS217B, HIS255B, HIS260B, HIS306B, HIS319B, ILE154A, ILE218B, ILE257B, ILE283A, ILE283B, ILE309B, LEU106A, LEU213A, LEU213B, LEU256B, LEU276B, LEU282A, LEU282B, LEU308B, LEU314B, LYS125A, LYS128A, LYS166B, LYS187B, LYS208A, LYS269A, MET141A, MET210A, PHE124A, PHE132A, PHE183A, PHE270A, PHE295B, PHE312B, PHE99A, PRO129A, PRO138A, PRO143A, PRO215A, PRO215B, PRO254B, PRO273A, PRO273B, PRO274B, PRO284A, PRO284B, PRO298B, SER246A, THR103A, THR127A, THR147A, THR212A, THR212B, THR214A, THR214B, THR216B, THR252A, THR252B, THR267A, THR280B, THR287A, THR294B, TRP144A, TRP265A, TRP281B, TRP326B, TYR134A, TYR184A, TYR184B, TYR193B, TYR203A, TYR263B, TYR293B, TYR301B, VAL131A, VAL133A, VAL142A, VAL146A, VAL156A, VAL207A, VAL224B, VAL264B, VAL300B, VAL304B
• A-C: ALA101C, ALA102C, ALA105C, ALA110C, ALA126C, ALA137C, ALA153C, ALA206C, ALA209C, ALA248C, ALA266A, ALA266C, ALA288C, ALA302A, ALA311A, ARG211C, ARG250A, ARG250C, ARG253A, ARG253C, ARG271C, ARG296A, ASN151C, ASN249C, ASN272C, ASN305A, ASN307A, ASP182C, ASP251A, ASP251C, ASP262A, ASP275A, ASP277A, ASP53A, ASP98C, CYS136C, GLN247C, GLN278A, GLN297A, GLU139C, GLU165A, GLU279A, GLU310A, GLU313A, GLU55A, GLU77C, GLY104C, GLY107C, GLY108C, GLY109C, GLY130C, GLY140C, GLY258A, GLY259A, GLY261A, GLY268C, GLY285C, GLY286C, GLY289C, GLY299A, GLY315A, HIS100C, HIS135C, HIS145C, HIS217A, HIS255A, HIS260A, HIS306A, HIS319A, ILE154C, ILE218A, ILE257A, ILE283A, ILE283C, ILE309A, LEU106C, LEU111C, LEU213A, LEU213C, LEU256A, LEU276A, LEU282A, LEU282C, LEU308A, LEU314A, LYS125C, LYS128C, LYS166A, LYS187A, LYS208C, LYS269C, MET141C, MET210C, PHE124C, PHE132C, PHE183C, PHE270C, PHE295A, PHE312A, PHE320A, PHE99C, PRO129C, PRO138C, PRO143C, PRO215A, PRO215C, PRO254A, PRO273A, PRO273C, PRO274A, PRO284A, PRO284C, PRO298A, SER246C, THR103C, THR127C, THR147C, THR212A, THR212C, THR214A, THR214C, THR216A, THR252A, THR252C, THR267C, THR280A, THR287C, THR294A, THR57A, TRP144C, TRP265C, TRP281A, TYR134C, TYR184A, TYR184C, TYR193A, TYR203C, TYR263A, TYR293A, TYR301A, TYR303A, VAL131C, VAL133C, VAL142C, VAL146C, VAL156C, VAL207C, VAL224A, VAL264A, VAL300A, VAL304A
• A-F: ALA232F, ARG296A, ASP230F, GLN168A, GLU165A, GLY229F, HIS231F, LEU276A, LYS166A, LYS321F, PHE24F, THR228F, THR234F, TYR263A
• B-C: ALA101B, ALA102B, ALA105B, ALA126B, ALA137B, ALA153B, ALA206B, ALA209B, ALA248B, ALA266B, ALA266C, ALA288B, ALA311C, ARG211B, ARG250B, ARG250C, ARG253B, ARG253C, ARG271B, ARG296C, ASN151B, ASN249B, ASN272B, ASN305C, ASN307C, ASP182B, ASP251B, ASP251C, ASP262C, ASP275C, ASP277C, ASP53C, ASP98B, CYS136B, GLN247B, GLN278C, GLN297C, GLU139B, GLU165C, GLU279C, GLU310C, GLU313C, GLU55C, GLU77B, GLY104B, GLY107B, GLY108B, GLY130B, GLY140B, GLY258C, GLY259C, GLY261C, GLY268B, GLY285B, GLY286B, GLY289B, GLY299C, GLY315C, HIS100B, HIS135B, HIS145B, HIS217C, HIS255C, HIS260C, HIS306C, HIS319C, ILE154B, ILE218C, ILE257C, ILE283B, ILE283C, ILE309C, LEU106B, LEU213B, LEU213C, LEU256C, LEU276C, LEU282B, LEU282C, LEU308C, LEU314C, LYS125B, LYS128B, LYS166C, LYS187C, LYS208B, LYS269B, MET141B, MET210B, PHE124B, PHE132B, PHE183B, PHE270B, PHE295C, PHE312C, PHE99B, PRO129B, PRO138B, PRO143B, PRO215B, PRO215C, PRO254C, PRO273B, PRO273C, PRO274C, PRO284B, PRO284C, PRO298C, SER246B, THR103B, THR127B, THR147B, THR212B, THR212C, THR214B, THR214C, THR216C, THR252B, THR252C, THR267B, THR280C, THR287B, THR294C, THR57C, TRP144B, TRP265B, TRP281C, TYR134B, TYR184B, TYR184C, TYR193C, TYR203B, TYR263C, TYR293C, TYR301C, VAL131B, VAL133B, VAL142B, VAL146B, VAL207B, VAL224C, VAL264C, VAL300C, VAL304C
• C-E: ALA110E, ASN115E, ASN96E, GLN113E, GLU118E, GLU139E, GLU204E, GLY140E, GLY35C, HIS95E, LEU111E, LEU12C, LEU94E, LYS33C, MET141E, PRO13C, PRO36C, SER10C, THR112E, THR11C, THR34C, TYR203E, VAL114E
• C-F: ALA223F, ALA32C, ARG159C, ARG271C, ARG54F, ASN78C, ASP160C, ASP230F, ASP53F, GLN168C, GLU55F, GLU58F, GLU77C, GLY161C, GLY167C, GLY225F, GLY229F, GLY35C, GLY56F, HIS231F, HIS76C, LEU50F, LYS163C, LYS166C, LYS195F, LYS321F, LYS33C, LYS48F, LYS49F, PRO129C, PRO158C, PRO169C, PRO36C, THR171C, THR34C, THR57F, VAL224F, VAL31C, VAL51F
• D-E: ALA101D, ALA102D, ALA105D, ALA126D, ALA137D, ALA153D, ALA206D, ALA209D, ALA248D, ALA266D, ALA266E, ALA288D, ALA311E, ARG211D, ARG250D, ARG250E, ARG253D, ARG253E, ARG271D, ARG296E, ASN151D, ASN249D, ASN272D, ASN305E, ASN307E, ASN78D, ASP182D, ASP251D, ASP251E, ASP262E, ASP275E, ASP277E, ASP53E, ASP98D, CYS136D, GLN247D, GLN278E, GLN297E, GLU139D, GLU165E, GLU279E, GLU310E, GLU313E, GLU55E, GLU77D, GLY104D, GLY107D, GLY108D, GLY130D, GLY140D, GLY258E, GLY259E, GLY261E, GLY268D, GLY285D, GLY286D, GLY289D, GLY299E, GLY315E, HIS100D, HIS135D, HIS145D, HIS217E, HIS255E, HIS260E, HIS306E, HIS319E, ILE154D, ILE218E, ILE257E, ILE283D, ILE283E, ILE309E, LEU106D, LEU213D, LEU213E, LEU256E, LEU276E, LEU282D, LEU282E, LEU308E, LEU314E, LYS125D, LYS128D, LYS166E, LYS187E, LYS208D, LYS269D, MET141D, MET210D, PHE124D, PHE132D, PHE183D, PHE270D, PHE295E, PHE312E, PHE99D, PRO129D, PRO138D, PRO143D, PRO215D, PRO215E, PRO254E, PRO273D, PRO273E, PRO274E, PRO284D, PRO284E, PRO298E, SER246D, THR103D, THR127D, THR147D, THR212D, THR212E, THR214D, THR214E, THR216E, THR252D, THR252E, THR267D, THR280E, THR287D, THR294E, THR57E, TRP144D, TRP265D, TRP281E, TYR134D, TYR184D, TYR184E, TYR193E, TYR203D, TYR263E, TYR293E, TYR301E, VAL131D, VAL133D, VAL142D, VAL146D, VAL156D, VAL207D, VAL224E, VAL264E, VAL300E, VAL304E
• D-F: ALA101F, ALA102F, ALA105F, ALA137F, ALA153F, ALA206F, ALA209F, ALA248F, ALA266D, ALA266F, ALA288F, ALA302D, ALA311D, ARG211F, ARG250D, ARG250F, ARG253D, ARG253F, ARG271F, ARG296D, ASN151F, ASN249F, ASN272F, ASN305D, ASN307D, ASP182F, ASP251D, ASP251F, ASP262D, ASP275D, ASP277D, ASP53D, ASP98F, CYS136F, GLN247F, GLN278D, GLN297D, GLU139F, GLU165D, GLU279D, GLU310D, GLU313D, GLU55D, GLY104F, GLY107F, GLY108F, GLY109F, GLY130F, GLY140F, GLY258D, GLY259D, GLY261D, GLY268F, GLY285F, GLY286F, GLY289F, GLY299D, GLY315D, HIS100F, HIS135F, HIS145F, HIS217D, HIS255D, HIS260D, HIS306D, HIS319D, ILE154F, ILE218D, ILE257D, ILE283D, ILE283F, ILE309D, LEU106F, LEU213D, LEU213F, LEU256D, LEU276D, LEU282D, LEU282F, LEU308D, LEU314D, LYS128F, LYS166D, LYS187D, LYS208F, LYS269F, MET141F, MET210F, PHE132F, PHE183F, PHE270F, PHE295D, PHE312D, PHE99F, PRO129F, PRO138F, PRO143F, PRO215D, PRO215F, PRO254D, PRO273D, PRO273F, PRO274D, PRO284D, PRO284F, PRO298D, SER246F, THR103F, THR127F, THR147F, THR212D, THR212F, THR214D, THR214F, THR216D, THR252D, THR252F, THR267F, THR280D, THR287F, THR294D, TRP144F, TRP265F, TRP281D, TYR134F, TYR184D, TYR184F, TYR193D, TYR203F, TYR263D, TYR293D, TYR301D, VAL131F, VAL133F, VAL142F, VAL146F, VAL207F, VAL224D, VAL264D, VAL300D, VAL304D
• E-F: ALA101E, ALA102E, ALA105E, ALA110E, ALA126E, ALA137E, ALA153E, ALA206E, ALA209E, ALA248E, ALA266E, ALA266F, ALA288E, ALA302F, ALA311F, ARG123E, ARG211E, ARG250E, ARG250F, ARG253E, ARG253F, ARG271E, ARG296F, ASN151E, ASN249E, ASN272E, ASN305F, ASN307F, ASN327F, ASN78E, ASN96E, ASP182E, ASP251E, ASP251F, ASP262F, ASP275F, ASP277F, ASP53F, ASP98E, CYS136E, GLN247E, GLN278F, GLN297F, GLU139E, GLU165F, GLU279F, GLU310F, GLU313F, GLU55F, GLU77E, GLY104E, GLY107E, GLY108E, GLY109E, GLY130E, GLY140E, GLY258F, GLY259F, GLY261F, GLY268E, GLY285E, GLY286E, GLY289E, GLY299F, GLY315F, HIS100E, HIS135E, HIS145E, HIS217F, HIS255F, HIS260F, HIS306F, HIS319F, ILE154E, ILE218F, ILE257F, ILE283E, ILE283F, ILE309F, LEU106E, LEU111E, LEU213E, LEU213F, LEU256F, LEU276F, LEU282E, LEU282F, LEU308F, LEU314F, LYS125E, LYS128E, LYS166F, LYS187F, LYS208E, LYS269E, MET141E, MET150E, MET210E, PHE124E, PHE132E, PHE183E, PHE270E, PHE295F, PHE312F, PHE320F, PHE99E, PRO129E, PRO138E, PRO143E, PRO215E, PRO215F, PRO254F, PRO273E, PRO273F, PRO274F, PRO284E, PRO284F, PRO298F, SER246E, THR103E, THR127E, THR147E, THR212E, THR212F, THR214E, THR214F, THR216F, THR252E, THR252F, THR267E, THR280F, THR287E, THR294F, TRP144E, TRP265E, TRP281F, TRP326F, TYR134E, TYR184E, TYR184F, TYR193F, TYR203E, TYR263F, TYR293F, TYR301F, TYR303F, TYR80E, VAL131E, VAL133E, VAL142E, VAL146E, VAL156E, VAL207E, VAL224F, VAL264F, VAL300F, VAL304F