2PP7

crystal structure of anaerobically manipulated wild type oxidized afnir (acetate bound)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 196
  • Norm. En. per Res.: -4.9756
• 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	-185.761	-85.9084	-691.332	-963.0014	200	34	10	25401	7	46	42
A-C	-200.7738	-89.5289	-675.741	-966.0437	197	30	10	24607	9	48	40
B-C	-214.7433	-85.5473	-674.928	-975.2186	196	34	10	24876	9	47	41

Interface residues

• A-B: ALA101A, ALA102A, ALA105A, ALA126A, ALA137A, ALA153A, ALA248A, ALA266A, ALA266B, ALA287A, ALA288A, ALA302B, ALA311B, ALA336B, ALA4A, ALA6A, ARG123A, ARG14A, ARG187B, ARG211A, ARG250A, ARG250B, ARG253A, ARG253B, ASN115A, ASN151A, ASN249A, ASN271A, ASN305B, ASN307B, ASN327B, ASN87A, ASN96A, ASP182A, ASP251A, ASP251B, ASP262B, ASP275B, ASP277B, ASP328B, ASP329B, ASP53B, ASP78A, ASP98A, CYS136A, GLN247A, GLN278B, GLN296B, GLN297B, GLN77A, GLU113A, GLU118A, GLU279B, GLU310B, GLU313B, GLU40A, GLU82A, GLU89A, GLU8A, GLY104A, GLY107A, GLY108A, GLY109A, GLY110A, GLY117A, GLY130A, GLY140A, GLY165A, GLY191B, GLY258B, GLY259B, GLY261B, GLY268A, GLY285A, GLY286A, GLY289A, GLY299B, GLY315B, GLY339B, HIS100A, HIS135A, HIS145A, HIS217B, HIS255B, HIS260B, HIS306B, HIS319B, HIS95A, ILE114A, ILE121A, ILE154A, ILE257B, ILE283A, ILE283B, ILE300B, ILE309B, ILE86A, ILE97A, ILE9A, LEU106A, LEU111A, LEU122A, LEU12A, LEU213A, LEU213B, LEU256B, LEU308B, LEU314B, LEU330B, LEU335B, LEU81A, LEU83A, LEU85A, LYS119A, LYS125A, LYS128A, LYS166B, LYS208A, LYS269A, MET141A, MET210A, MET331B, MET94A, PHE124A, PHE132A, PHE183A, PHE270A, PHE282A, PHE282B, PHE295B, PHE312B, PHE320B, PHE99A, PRO116A, PRO129A, PRO139A, PRO143A, PRO215A, PRO215B, PRO254B, PRO273A, PRO273B, PRO274B, PRO284A, PRO284B, PRO298B, PRO337B, PRO88A, SER246A, SER333B, SER338B, THR103A, THR112A, THR120A, THR127A, THR206A, THR212A, THR212B, THR214A, THR214B, THR216B, THR252A, THR252B, THR267A, THR272A, THR280B, THR294B, THR332B, THR340B, THR5A, THR84A, TRP144A, TRP265A, TRP281B, TRP326B, TYR134A, TYR184A, TYR184B, TYR193B, TYR203A, TYR263B, TYR293B, TYR301B, TYR303B, TYR80A, VAL131A, VAL133A, VAL142A, VAL146A, VAL147A, VAL207A, VAL209A, VAL218B, VAL224B, VAL264B, VAL276B, VAL304B, VAL334B, VAL38A, VAL44A
• A-C: ALA101C, ALA102C, ALA105C, ALA126C, ALA137C, ALA153C, ALA248C, ALA266A, ALA266C, ALA287C, ALA288C, ALA302A, ALA311A, ALA336A, ALA4C, ALA6C, ARG123C, ARG14C, ARG187A, ARG211C, ARG250A, ARG250C, ARG253A, ARG253C, ASN115C, ASN151C, ASN249C, ASN271C, ASN305A, ASN307A, ASN327A, ASN87C, ASN96C, ASP182C, ASP251A, ASP251C, ASP262A, ASP275A, ASP277A, ASP328A, ASP329A, ASP53A, ASP78C, ASP98C, CYS136C, GLN247C, GLN278A, GLN296A, GLN297A, GLN77C, GLU113C, GLU118C, GLU279A, GLU310A, GLU313A, GLU40C, GLU82C, GLU8C, GLY104C, GLY107C, GLY108C, GLY109C, GLY110C, GLY117C, GLY130C, GLY140C, GLY165A, GLY191A, GLY258A, GLY259A, GLY261A, GLY268C, GLY285C, GLY286C, GLY289C, GLY299A, GLY315A, GLY339A, HIS100C, HIS135C, HIS145C, HIS217A, HIS255A, HIS260A, HIS306A, HIS319A, HIS95C, ILE114C, ILE121C, ILE154C, ILE257A, ILE283A, ILE283C, ILE300A, ILE309A, ILE86C, ILE97C, ILE9C, LEU106C, LEU111C, LEU122C, LEU12C, LEU213A, LEU213C, LEU256A, LEU308A, LEU314A, LEU330A, LEU335A, LEU81C, LEU83C, LEU85C, LYS119C, LYS125C, LYS128C, LYS166A, LYS208C, LYS269C, MET141C, MET210C, MET331A, MET94C, PHE124C, PHE132C, PHE183C, PHE270C, PHE282A, PHE282C, PHE295A, PHE312A, PHE320A, PHE99C, PRO116C, PRO129C, PRO139C, PRO143C, PRO215A, PRO215C, PRO254A, PRO273A, PRO273C, PRO274A, PRO284A, PRO284C, PRO298A, PRO337A, SER246C, SER333A, SER338A, THR103C, THR112C, THR120C, THR127C, THR206C, THR212A, THR212C, THR214A, THR214C, THR216A, THR252A, THR252C, THR267C, THR272C, THR280A, THR294A, THR332A, THR5C, THR84C, TRP144C, TRP265C, TRP281A, TRP326A, TYR134C, TYR184A, TYR184C, TYR193A, TYR203C, TYR263A, TYR293A, TYR301A, TYR303A, TYR80C, VAL131C, VAL133C, VAL142C, VAL146C, VAL147C, VAL207C, VAL209C, VAL218A, VAL224A, VAL237A, VAL264A, VAL276A, VAL304A, VAL334A, VAL38C
• B-C: ALA101B, ALA102B, ALA105B, ALA126B, ALA137B, ALA153B, ALA248B, ALA266B, ALA266C, ALA287B, ALA288B, ALA302C, ALA311C, ALA336C, ALA4B, ALA6B, ARG123B, ARG14B, ARG187C, ARG211B, ARG250B, ARG250C, ARG253B, ARG253C, ASN115B, ASN151B, ASN249B, ASN271B, ASN305C, ASN307C, ASN327C, ASN87B, ASN96B, ASP182B, ASP251B, ASP251C, ASP262C, ASP275C, ASP277C, ASP328C, ASP329C, ASP53C, ASP78B, ASP98B, CYS136B, GLN247B, GLN278C, GLN296C, GLN297C, GLN77B, GLU113B, GLU118B, GLU279C, GLU310C, GLU313C, GLU40B, GLU82B, GLU8B, GLY104B, GLY107B, GLY108B, GLY109B, GLY110B, GLY117B, GLY130B, GLY140B, GLY165B, GLY258C, GLY259C, GLY261C, GLY268B, GLY285B, GLY286B, GLY289B, GLY299C, GLY315C, GLY339C, HIS100B, HIS135B, HIS145B, HIS217C, HIS255C, HIS260C, HIS306C, HIS319C, HIS95B, ILE114B, ILE121B, ILE154B, ILE257C, ILE283B, ILE283C, ILE300C, ILE309C, ILE86B, ILE97B, ILE9B, LEU106B, LEU111B, LEU122B, LEU12B, LEU213B, LEU213C, LEU256C, LEU308C, LEU314C, LEU330C, LEU335C, LEU81B, LEU83B, LEU85B, LYS119B, LYS125B, LYS128B, LYS166C, LYS208B, LYS269B, MET141B, MET210B, MET331C, MET94B, PHE124B, PHE132B, PHE183B, PHE270B, PHE282B, PHE282C, PHE292C, PHE295C, PHE312C, PHE320C, PHE99B, PRO116B, PRO129B, PRO139B, PRO143B, PRO215B, PRO215C, PRO254C, PRO273B, PRO273C, PRO274C, PRO284B, PRO284C, PRO298C, PRO337C, SER246B, SER333C, SER338C, THR103B, THR112B, THR120B, THR127B, THR206B, THR212B, THR212C, THR214B, THR214C, THR216C, THR252B, THR252C, THR267B, THR272B, THR280C, THR294C, THR332C, THR5B, THR84B, TRP144B, TRP265B, TRP281C, TRP326C, TYR134B, TYR184B, TYR184C, TYR193C, TYR203B, TYR263C, TYR293C, TYR301C, TYR303C, TYR80B, VAL131B, VAL133B, VAL142B, VAL146B, VAL147B, VAL207B, VAL209B, VAL218C, VAL224C, VAL264C, VAL276C, VAL304C, VAL334C, VAL38B