2HCB

structure of amppcp-bound dnaa from aquifex aeolicus

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 181
  • Norm. En. per Res.: -2.2774
• Hub Node: A(1)

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	-40.0495	-87.5441	-284.614	-412.2077	181	23	5	14320	16	112	91
B-C	-52.1654	-70.4113	-272.747	-395.3237	177	21	4	14010	11	108	88
C-D	-46.0097	-51.5562	-256.921	-354.4869	175	33	5	13962	12	104	82

Interface residues

• A-B: ALA148B, ALA152B, ALA154B, ALA349B, ALA355B, ALA369A, ALA97A, ARG168A, ARG215A, ARG215B, ARG226A, ARG230A, ARG277B, ARG296B, ARG302B, ARG328A, ARG331A, ARG336A, ARG344B, ARG356B, ARG371A, ARG95A, ASN107A, ASN113A, ASN134B, ASN165A, ASN169A, ASN200A, ASN272B, ASN275B, ASN80B, ASP149B, ASP150B, ASP180B, ASP181B, ASP214B, ASP221A, ASP225A, ASP326A, ASP362A, ASP362B, ASP396B, ASP77B, CYS347B, CYS399B, GLN130B, GLN153B, GLN183B, GLN218A, GLN393B, GLU103A, GLU157B, GLU166A, GLU194A, GLU206A, GLU232A, GLU238A, GLU240A, GLU256B, GLU278B, GLU280B, GLU298B, GLU301B, GLU310B, GLU334A, GLU353B, GLU375A, GLU376A, GLU391B, GLU99A, GLY109A, GLY119A, GLY122B, GLY162A, GLY222A, GLY233A, GLY234A, GLY281B, GLY290B, GLY293B, GLY388B, HIS158B, HIS197A, HIS216A, HIS363B, HIS368A, HIS385B, ILE115A, ILE164A, ILE193A, ILE198A, ILE235A, ILE239A, ILE279B, ILE283B, ILE286B, ILE352B, ILE354B, ILE367A, ILE367B, ILE370A, ILE398B, LEU111A, LEU159A, LEU202A, LEU204A, LEU205A, LEU220A, LEU227A, LEU236A, LEU285B, LEU288B, LEU294B, LEU305B, LEU351B, LEU79B, LEU96A, LYS125B, LYS160B, LYS161B, LYS172A, LYS188B, LYS207A, LYS219A, LYS253B, LYS282B, LYS284B, LYS287B, LYS289B, LYS297B, LYS304B, LYS327A, LYS337A, LYS378A, LYS392B, LYS397B, LYS82B, MET340A, PHE151B, PHE184B, PHE196A, PHE199A, PHE231A, PHE257B, PHE358A, PHE389B, PHE395B, PHE78B, PRO114A, PRO217A, PRO81B, SER110A, SER146B, SER147B, SER224A, SER229A, SER325A, SER333A, SER348B, SER350B, SER372A, THR126B, THR163A, THR201A, THR364A, THR365A, TYR112A, TYR118A, TYR145B, TYR203A, TYR268B, TYR83B, VAL100A, VAL121B, VAL156B, VAL223A, VAL228A, VAL237A, VAL276B, VAL346B, VAL366A
• B-C: ALA148C, ALA152C, ALA154C, ALA349C, ALA369B, ALA394C, ALA97B, ARG168B, ARG190B, ARG215B, ARG215C, ARG226B, ARG230B, ARG277C, ARG296C, ARG302C, ARG336B, ARG344C, ARG356C, ARG381B, ARG95B, ASN107B, ASN113B, ASN165B, ASN169B, ASN200B, ASN272C, ASN275C, ASN329B, ASN80C, ASP149C, ASP150C, ASP180C, ASP181C, ASP214C, ASP221B, ASP225B, ASP242B, ASP326B, ASP362C, ASP396C, ASP77C, CYS347C, CYS399C, GLN130C, GLN153C, GLN183C, GLN218B, GLN393C, GLU103B, GLU157C, GLU166B, GLU194B, GLU206B, GLU232B, GLU238B, GLU240B, GLU278C, GLU280C, GLU298C, GLU301C, GLU334B, GLU353C, GLU375B, GLU376B, GLU391C, GLU92B, GLU99B, GLY109B, GLY122C, GLY162B, GLY222B, GLY233B, GLY234B, GLY281C, GLY290C, GLY388C, GLY93B, HIS127C, HIS158C, HIS197B, HIS216B, HIS363C, HIS368B, HIS385C, ILE164B, ILE193B, ILE198B, ILE235B, ILE239B, ILE279C, ILE283C, ILE352C, ILE354C, ILE367B, ILE367C, ILE398C, LEU111B, LEU202B, LEU204B, LEU205B, LEU220B, LEU227B, LEU236B, LEU285C, LEU288C, LEU294C, LEU305C, LEU351C, LEU79C, LEU96B, LYS125C, LYS160C, LYS161C, LYS172B, LYS188C, LYS207B, LYS219B, LYS282C, LYS284C, LYS287C, LYS289C, LYS297C, LYS300C, LYS304C, LYS327B, LYS330B, LYS337B, LYS345C, LYS378B, LYS382C, LYS392C, LYS397C, LYS82C, PHE184C, PHE196B, PHE199B, PHE231B, PHE257C, PHE358B, PHE389C, PHE395C, PHE78C, PRO114B, PRO217B, PRO81C, SER110B, SER146C, SER147C, SER224B, SER229B, SER325B, SER333B, SER348C, SER350C, SER372B, THR126C, THR163B, THR201B, THR273C, THR364B, THR365B, TYR112B, TYR118B, TYR145C, TYR203B, TYR83C, VAL100B, VAL121C, VAL156C, VAL223B, VAL228B, VAL237B, VAL276C, VAL346C, VAL366B, VAL373B
• C-D: ALA148D, ALA152D, ALA154D, ALA349D, ALA369C, ALA97C, ARG168C, ARG190C, ARG215C, ARG226C, ARG230C, ARG277D, ARG302D, ARG336C, ARG344D, ARG356D, ARG360D, ARG371C, ARG95C, ASN113C, ASN165C, ASN169C, ASN200C, ASN272D, ASN275D, ASN329C, ASN80D, ASP149D, ASP150D, ASP180D, ASP181D, ASP214D, ASP221C, ASP225C, ASP326C, ASP362C, ASP362D, ASP396D, ASP77D, CYS347D, CYS399D, GLN130D, GLN153D, GLN183D, GLN218C, GLU103C, GLU157D, GLU166C, GLU194C, GLU206C, GLU232C, GLU238C, GLU240C, GLU278D, GLU280D, GLU298D, GLU301D, GLU334C, GLU353D, GLU375C, GLU376C, GLU391D, GLU99C, GLY109C, GLY122D, GLY162C, GLY222C, GLY233C, GLY234C, GLY281D, GLY290D, GLY388D, HIS127D, HIS158D, HIS197C, HIS216C, HIS363D, HIS368C, HIS385D, ILE115C, ILE164C, ILE193C, ILE198C, ILE235C, ILE279D, ILE283D, ILE286D, ILE352D, ILE354D, ILE367C, ILE367D, ILE370C, ILE398D, LEU108C, LEU111C, LEU202C, LEU204C, LEU205C, LEU220C, LEU227C, LEU236C, LEU285D, LEU288D, LEU294D, LEU305D, LEU351D, LEU79D, LEU96C, LYS125D, LYS160D, LYS161D, LYS172C, LYS188D, LYS207C, LYS219C, LYS282D, LYS284D, LYS287D, LYS289D, LYS297D, LYS300D, LYS304D, LYS327C, LYS330C, LYS337C, LYS345D, LYS378C, LYS392D, LYS397D, LYS82D, MET340C, PHE151D, PHE184D, PHE196C, PHE199C, PHE231C, PHE257D, PHE358C, PHE389D, PHE395D, PHE78D, PRO114C, PRO217C, PRO81D, SER110C, SER146D, SER147D, SER224C, SER229C, SER325C, SER333C, SER348D, SER350D, SER372C, THR123D, THR126D, THR163C, THR201C, THR364C, THR365C, TYR112C, TYR118C, TYR145D, TYR203C, TYR83D, VAL100C, VAL121D, VAL156D, VAL223C, VAL228C, VAL237C, VAL276D, VAL346D, VAL366C, VAL373C