2ZAG

crystal structure of the semet-substituted soluble domain of stt3 from p. furiosus

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 130
  • Norm. En. per Res.: -2.7949
• 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	-32.5183	-2.6877	-329.908	-365.114	134	18	4	12825	0	38	31
A-D	-12.6818	-51.2907	-179.099	-243.0715	123	13	0	8797	3	50	68
C-D	-41.4533	2.0246	-323.909	-363.3378	130	20	4	12891	0	41	33

Interface residues

• A-B: ALA535A, ALA535B, ALA573A, ALA573B, ALA599A, ALA599B, ALA618A, ALA618B, ARG587A, ARG587B, ARG597A, ARG597B, ARG608A, ARG608B, ARG636B, ASN570A, ASN570B, ASN576B, ASN591A, ASN591B, ASN615A, ASN615B, ASN718A, ASN718B, ASP493B, ASP513A, ASP513B, ASP539A, ASP539B, ASP571A, ASP571B, ASP593A, ASP593B, ASP623A, ASP623B, ASP635A, ASP635B, GLU487A, GLU492A, GLU492B, GLU594A, GLU594B, GLU881A, GLU881B, GLY490A, GLY490B, GLY515A, GLY515B, GLY524A, GLY524B, GLY592A, GLY592B, GLY596A, GLY596B, GLY610B, GLY634A, GLY634B, HIS534A, HIS534B, ILE518A, ILE518B, ILE621A, ILE621B, LEU495B, LEU522A, LEU522B, LEU523A, LEU523B, LEU569B, LEU616A, LEU616B, LYS574A, LYS574B, LYS612A, LYS612B, LYS619A, LYS619B, LYS630B, PHE575A, PHE575B, PRO607A, PRO607B, SER489A, SER489B, SER510A, SER510B, SER520A, SER520B, SER521A, SER521B, SER595A, SER595B, THR488A, THR488B, THR632A, THR632B, TRP491A, TRP491B, TRP511A, TRP511B, TRP512A, TRP512B, TRP517A, TRP517B, TRP572A, TRP572B, TYR514A, TYR514B, TYR516A, TYR516B, TYR568A, TYR568B, TYR580A, TYR580B, TYR590A, TYR590B, TYR609A, TYR609B, TYR613A, TYR613B, TYR617A, TYR617B, TYR883A, TYR883B, VAL614A, VAL614B, VAL620A, VAL620B, VAL622A, VAL622B, VAL633A, VAL633B, VAL719A, VAL719B
• A-D: ALA547A, ALA584A, ALA663A, ALA678A, ALA683A, ALA685A, ALA696A, ALA916D, ARG548A, ARG762D, ARG842D, ARG874A, ARG874D, ARG915D, ARG932A, ARG932D, ASN551A, ASN766D, ASN795A, ASN902D, ASP549A, ASP639A, ASP763D, ASP792A, ASP792D, ASP862D, ASP879A, ASP879D, ASP892A, ASP928A, ASP928D, ASP936A, ASP936D, GLN817D, GLN890A, GLN931A, GLN931D, GLU554A, GLU589A, GLU765D, GLU843D, GLU888A, GLU901D, GLU917D, GLU920D, GLU929A, GLU929D, GLY550A, GLY583A, GLY654A, GLY656A, GLY761A, GLY844D, GLY877D, GLY900D, GLY921D, GLY935A, GLY935D, HIS669A, HIS790D, ILE552A, ILE585A, ILE688A, ILE699A, ILE764D, ILE896D, ILE899D, ILE923D, LEU544A, LEU641A, LEU794A, LEU863D, LEU865D, LEU918D, LEU930A, LEU930D, LEU938D, LYS653A, LYS681A, LYS689A, LYS875A, LYS878A, LYS878D, LYS898D, LYS927D, LYS933A, LYS933D, LYS937A, LYS937D, PHE894D, PHE895D, PRO640A, PRO665A, PRO700A, PRO919D, SER553A, SER697A, SER789D, SER876A, SER924D, SER925D, THR586A, THR655A, THR657A, THR684A, THR698A, THR897D, TYR666A, TYR679A, TYR680A, TYR793A, TYR793D, TYR864D, TYR871A, TYR926A, TYR926D, TYR934A, TYR934D, VAL667A, VAL682A, VAL873A, VAL893D, VAL922D
• C-D: ALA573C, ALA573D, ALA599C, ALA599D, ALA618C, ALA618D, ARG587C, ARG587D, ARG597C, ARG597D, ARG608C, ARG608D, ARG636C, ARG636D, ASN570C, ASN570D, ASN591C, ASN591D, ASN615C, ASN615D, ASN718D, ASP513C, ASP513D, ASP539D, ASP571C, ASP571D, ASP593C, ASP593D, ASP623C, ASP623D, ASP635C, ASP635D, GLU487C, GLU487D, GLU492C, GLU492D, GLU594C, GLU594D, GLU881C, GLU881D, GLY490C, GLY490D, GLY515C, GLY515D, GLY524C, GLY524D, GLY592C, GLY592D, GLY596C, GLY596D, GLY610C, GLY634C, GLY634D, HIS534C, HIS534D, ILE518C, ILE518D, ILE621C, ILE621D, LEU495C, LEU495D, LEU522C, LEU522D, LEU523C, LEU523D, LEU569C, LEU616C, LEU616D, LYS574C, LYS574D, LYS612C, LYS612D, LYS619C, LYS619D, PHE575C, PHE575D, PRO607C, PRO607D, SER489C, SER489D, SER510C, SER510D, SER520C, SER520D, SER521C, SER521D, SER595C, SER595D, THR488C, THR488D, THR632C, THR632D, TRP491C, TRP491D, TRP511C, TRP511D, TRP512C, TRP512D, TRP517C, TRP517D, TRP572C, TRP572D, TYR514C, TYR514D, TYR516C, TYR516D, TYR568C, TYR568D, TYR580C, TYR580D, TYR590C, TYR590D, TYR609C, TYR609D, TYR613C, TYR613D, TYR617C, TYR617D, TYR883C, TYR883D, VAL614C, VAL614D, VAL620C, VAL620D, VAL622C, VAL622D, VAL633C, VAL633D, VAL719C, VAL719D