3NTN

crystal structure of uspa1 head and neck domain from moraxella catarrhalis

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 297
  • Norm. En. per Res.: -3.4985
• 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	-161.2304	16.675	-894.493	-1039.0484	297	26	59	36454	2	47	71
A-C	-151.6662	18.5051	-881.146	-1014.3071	298	24	60	36300	2	50	71
B-C	-141.7066	20.914	-892.453	-1013.2455	299	28	58	36512	2	50	72

Interface residues

• A-B: ALA171A, ALA179A, ALA179B, ALA194A, ALA194B, ALA208A, ALA208B, ALA209A, ALA209B, ALA220A, ALA222A, ALA222B, ALA236A, ALA236B, ALA262A, ALA274A, ALA277A, ALA278A, ALA278B, ALA284A, ALA284B, ALA295A, ALA295B, ALA297A, ALA297B, ALA321A, ALA321B, ALA331A, ALA331B, ALA339A, ALA339B, ALA341A, ALA341B, ALA345A, ALA345B, ALA349A, ALA349B, ARG174A, ARG197B, ARG314A, ARG314B, ASN154B, ASN160A, ASN169B, ASN175A, ASN183B, ASN184B, ASN199B, ASN213B, ASN219A, ASN225B, ASN227B, ASN233A, ASN240B, ASN241B, ASN249A, ASN256B, ASN261A, ASN264A, ASN272A, ASN272B, ASN282A, ASN282B, ASN302A, ASN333A, ASN333B, ASN347A, ASN347B, ASN366A, ASN366B, ASP190A, ASP212B, ASP218A, ASP258A, ASP326A, ASP326B, ASP330A, ASP330B, ASP350A, ASP350B, ASP353A, ASP353B, ASP355A, ASP355B, ASP356A, ASP356B, GLN248A, GLN263A, GLN315A, GLN315B, GLN336A, GLN336B, GLN346A, GLN346B, GLU159A, GLU232A, GLU285A, GLU285B, GLU313A, GLU313B, GLU323A, GLU323B, GLU357A, GLU357B, GLU363A, GLU363B, GLU364A, GLU364B, GLY164A, GLY164B, GLY165B, GLY166B, GLY167B, GLY180A, GLY180B, GLY181B, GLY195A, GLY195B, GLY196B, GLY203A, GLY205A, GLY210B, GLY224B, GLY238B, GLY254A, GLY254B, GLY265A, GLY270B, GLY275A, GLY287A, GLY287B, GLY288A, GLY293B, GLY296A, GLY296B, GLY303A, GLY308A, GLY308B, GLY311A, GLY311B, GLY320A, GLY320B, GLY322A, GLY322B, GLY334A, GLY334B, GLY359A, GLY359B, GLY362A, GLY362B, HIS271B, HIS318A, HIS318B, HIS338A, HIS338B, HIS368A, HIS368B, HIS369A, HIS369B, HIS370A, HIS371B, HIS372A, HIS372B, ILE193A, ILE193B, ILE211B, ILE237A, ILE237B, ILE252A, ILE252B, ILE280A, ILE280B, ILE316A, ILE316B, ILE324A, ILE324B, ILE351A, ILE351B, ILE365A, ILE365B, LEU223A, LEU223B, LEU253A, LEU253B, LEU268A, LEU268B, LEU269A, LEU269B, LEU289A, LEU289B, LEU291A, LEU291B, LEU337A, LEU337B, LEU340A, LEU340B, LEU354A, LEU354B, LEU360A, LEU360B, LEU361A, LEU361B, LYS198B, LYS204A, LYS226B, LYS276A, LYS276B, LYS309A, LYS309B, LYS310A, LYS310B, LYS312A, LYS312B, LYS348A, LYS348B, LYS352A, LYS352B, PHE207A, PHE207B, PHE251A, PHE294A, PHE294B, SER161A, SER176A, SER191A, SER206A, SER234A, SER239B, SER255B, SER266A, SER283B, SER290A, SER290B, SER298A, SER298B, SER306A, SER306B, SER325A, SER325B, SER328A, SER328B, SER335A, SER335B, THR162A, THR177A, THR177B, THR189A, THR192A, THR192B, THR257B, THR273A, THR273B, THR279A, THR279B, THR292B, THR304A, THR304B, THR327A, THR327B, THR329A, THR329B, THR342A, THR342B, TYR153B, TYR168B, TYR182B, VAL163A, VAL163B, VAL178A, VAL178B, VAL221A, VAL221B, VAL235A, VAL235B, VAL250A, VAL267A, VAL267B, VAL281A, VAL281B, VAL286A, VAL286B, VAL305A, VAL305B, VAL307A, VAL307B, VAL317A, VAL317B, VAL319A, VAL319B, VAL332A, VAL332B, VAL343A, VAL343B, VAL344A, VAL344B, VAL358A, VAL358B
• A-C: ALA171C, ALA179A, ALA179C, ALA194A, ALA194C, ALA208A, ALA208C, ALA209A, ALA209C, ALA220C, ALA222A, ALA222C, ALA236A, ALA236C, ALA262C, ALA274C, ALA277C, ALA278A, ALA278C, ALA284A, ALA284C, ALA295A, ALA295C, ALA297A, ALA297C, ALA321A, ALA321C, ALA331A, ALA331C, ALA339A, ALA339C, ALA341A, ALA341C, ALA345A, ALA345C, ALA349A, ALA349C, ARG174C, ARG197A, ARG314A, ARG314C, ASN160C, ASN169A, ASN175C, ASN183A, ASN184A, ASN199A, ASN213A, ASN219C, ASN225A, ASN227A, ASN233C, ASN240A, ASN241A, ASN249C, ASN256A, ASN261C, ASN264C, ASN272A, ASN272C, ASN282A, ASN282C, ASN302C, ASN333A, ASN333C, ASN347A, ASN347C, ASN366A, ASN366C, ASP190C, ASP212A, ASP218C, ASP258C, ASP326A, ASP326C, ASP330A, ASP330C, ASP350A, ASP350C, ASP353A, ASP353C, ASP355A, ASP355C, ASP356A, ASP356C, GLN248C, GLN263C, GLN315A, GLN315C, GLN336A, GLN336C, GLN346A, GLN346C, GLU159C, GLU232C, GLU285A, GLU285C, GLU313A, GLU313C, GLU323A, GLU323C, GLU357A, GLU357C, GLU363A, GLU363C, GLU364A, GLU364C, GLY164A, GLY164C, GLY165A, GLY166A, GLY167A, GLY180A, GLY180C, GLY181A, GLY195A, GLY195C, GLY196A, GLY203C, GLY205C, GLY210A, GLY224A, GLY238A, GLY254A, GLY254C, GLY265C, GLY270A, GLY275C, GLY287A, GLY287C, GLY288C, GLY293A, GLY296A, GLY296C, GLY303A, GLY303C, GLY308A, GLY308C, GLY311A, GLY311C, GLY320A, GLY320C, GLY322A, GLY322C, GLY334A, GLY334C, GLY359A, GLY359C, GLY362A, GLY362C, HIS271A, HIS318A, HIS318C, HIS338A, HIS338C, HIS368A, HIS368C, HIS369A, HIS369C, HIS370A, HIS370C, HIS371A, HIS371C, HIS372A, HIS372C, ILE193A, ILE193C, ILE211A, ILE237A, ILE237C, ILE252A, ILE252C, ILE280A, ILE280C, ILE316A, ILE316C, ILE324A, ILE324C, ILE351A, ILE351C, ILE365A, ILE365C, LEU223A, LEU223C, LEU253A, LEU253C, LEU268A, LEU268C, LEU269A, LEU269C, LEU289A, LEU289C, LEU291A, LEU291C, LEU337A, LEU337C, LEU340A, LEU340C, LEU354A, LEU354C, LEU360A, LEU360C, LEU361A, LEU361C, LYS198A, LYS204C, LYS226A, LYS276A, LYS276C, LYS309A, LYS309C, LYS310A, LYS310C, LYS312A, LYS312C, LYS348A, LYS348C, LYS352A, LYS352C, LYS367A, PHE207A, PHE207C, PHE251C, PHE294A, PHE294C, SER161C, SER176C, SER191C, SER206C, SER234C, SER239A, SER255A, SER266C, SER283A, SER290A, SER290C, SER298A, SER298C, SER306A, SER306C, SER325A, SER325C, SER328A, SER328C, SER335A, SER335C, THR162C, THR177A, THR177C, THR189C, THR192A, THR192C, THR273A, THR273C, THR279A, THR279C, THR292A, THR304A, THR304C, THR327A, THR327C, THR329A, THR329C, THR342A, THR342C, TYR168A, TYR182A, VAL163A, VAL163C, VAL178A, VAL178C, VAL221A, VAL221C, VAL235A, VAL235C, VAL250C, VAL267A, VAL267C, VAL281A, VAL281C, VAL286A, VAL286C, VAL305A, VAL305C, VAL307A, VAL307C, VAL317A, VAL317C, VAL319A, VAL319C, VAL332A, VAL332C, VAL343A, VAL343C, VAL344A, VAL344C, VAL358A, VAL358C
• B-C: ALA156B, ALA179B, ALA179C, ALA194B, ALA194C, ALA208B, ALA208C, ALA209B, ALA209C, ALA220B, ALA222B, ALA222C, ALA236B, ALA236C, ALA262B, ALA274B, ALA277B, ALA278B, ALA278C, ALA284B, ALA284C, ALA295B, ALA295C, ALA297B, ALA297C, ALA321B, ALA321C, ALA331B, ALA331C, ALA339B, ALA339C, ALA341B, ALA341C, ALA345B, ALA345C, ALA349B, ALA349C, ARG174B, ARG197C, ARG314B, ARG314C, ASN160B, ASN169C, ASN175B, ASN183C, ASN184C, ASN199C, ASN213C, ASN219B, ASN225C, ASN227C, ASN233B, ASN240C, ASN241C, ASN249B, ASN256C, ASN261B, ASN264B, ASN272B, ASN272C, ASN282B, ASN282C, ASN302B, ASN333B, ASN333C, ASN347B, ASN347C, ASN366B, ASN366C, ASP190B, ASP212C, ASP218B, ASP258B, ASP326B, ASP326C, ASP330B, ASP330C, ASP350B, ASP350C, ASP353B, ASP353C, ASP355B, ASP355C, ASP356B, ASP356C, GLN248B, GLN263B, GLN315B, GLN315C, GLN336B, GLN336C, GLN346B, GLN346C, GLU159B, GLU232B, GLU285B, GLU285C, GLU313B, GLU313C, GLU323B, GLU323C, GLU357B, GLU357C, GLU363B, GLU363C, GLU364B, GLU364C, GLY164B, GLY164C, GLY165C, GLY166C, GLY167C, GLY180B, GLY180C, GLY181C, GLY195B, GLY195C, GLY196C, GLY203B, GLY205B, GLY210C, GLY224C, GLY238C, GLY254B, GLY254C, GLY265B, GLY270C, GLY275B, GLY287B, GLY288B, GLY293C, GLY296B, GLY296C, GLY303B, GLY303C, GLY308B, GLY308C, GLY311B, GLY311C, GLY320B, GLY320C, GLY322B, GLY322C, GLY334B, GLY334C, GLY359B, GLY359C, GLY362B, GLY362C, HIS271C, HIS318B, HIS318C, HIS338B, HIS338C, HIS368B, HIS368C, HIS369B, HIS369C, HIS370B, HIS371B, HIS371C, HIS372B, HIS372C, ILE158B, ILE193B, ILE193C, ILE211C, ILE237B, ILE237C, ILE252B, ILE252C, ILE280B, ILE280C, ILE316B, ILE316C, ILE324B, ILE324C, ILE351B, ILE351C, ILE365B, ILE365C, LEU223B, LEU223C, LEU253B, LEU253C, LEU268B, LEU268C, LEU269B, LEU269C, LEU289B, LEU289C, LEU291B, LEU291C, LEU337B, LEU337C, LEU340B, LEU340C, LEU354B, LEU354C, LEU360B, LEU360C, LEU361B, LEU361C, LYS198C, LYS204B, LYS226C, LYS276B, LYS276C, LYS309B, LYS309C, LYS310B, LYS310C, LYS312B, LYS312C, LYS348B, LYS348C, LYS352B, LYS352C, LYS367C, PHE207B, PHE207C, PHE251B, PHE251C, PHE294B, PHE294C, SER161B, SER176B, SER191B, SER206B, SER234B, SER239C, SER255C, SER266B, SER283C, SER290B, SER290C, SER298B, SER298C, SER306B, SER306C, SER325B, SER325C, SER328B, SER328C, SER335B, SER335C, THR162B, THR177B, THR177C, THR189B, THR192B, THR192C, THR257C, THR273B, THR273C, THR279B, THR279C, THR292C, THR304B, THR304C, THR327B, THR327C, THR329B, THR329C, THR342B, THR342C, TYR168C, TYR182C, VAL163B, VAL163C, VAL178B, VAL178C, VAL221B, VAL221C, VAL235B, VAL235C, VAL250B, VAL267B, VAL267C, VAL281B, VAL281C, VAL286B, VAL286C, VAL305B, VAL305C, VAL307B, VAL307C, VAL317B, VAL317C, VAL319B, VAL319C, VAL332B, VAL332C, VAL343B, VAL343C, VAL344B, VAL344C, VAL358B, VAL358C