3R3S

structure of the ygha oxidoreductase from salmonella enterica

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 142
  • Norm. En. per Res.: -3.9851
• 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	-78.9659	8.3528	-637.0	-707.6131	201	21	7	23714	0	42	57
A-C	-58.6657	0.8797	-500.236	-558.022	144	12	23	18765	0	17	23
A-D	0.0	0.0	-20.6006	-20.6006	28	3	0	1023	0	0	1
B-C	0.0	0.0	-26.2458	-26.2458	28	3	0	1051	0	0	1
B-D	-68.3372	0.8696	-498.417	-565.8846	142	12	23	18705	0	16	22
C-D	-62.5262	24.7364	-636.285	-674.0748	201	22	6	23886	0	41	57

Interface residues

• A-B: ALA179A, ALA179B, ALA214A, ALA214B, ALA218A, ALA218B, ALA228A, ALA228B, ALA259A, ALA259B, ALA263A, ALA263B, ALA266A, ALA266B, ALA273A, ALA273B, ALA282A, ALA282B, ARG211A, ARG211B, ARG223A, ARG223B, ARG258A, ARG258B, ARG46A, ARG46B, ARG50A, ARG50B, ASN208A, ASN208B, ASN225A, ASN225B, ASP130A, ASP130B, ASP49A, ASP49B, ASP6A, ASP6B, CYS288A, CYS288B, GLN10A, GLN10B, GLN216A, GLN216B, GLN252A, GLN252B, GLN253A, GLN253B, GLN261A, GLN261B, GLN275A, GLN275B, GLU219A, GLU219B, GLU264A, GLU264B, GLU276A, GLU276B, GLU283A, GLU283B, GLU291A, GLU291B, GLU72A, GLU72B, GLY178A, GLY178B, GLY212A, GLY212B, GLY221A, GLY221B, GLY230A, GLY230B, GLY251A, GLY251B, GLY260A, GLY260B, GLY286A, GLY286B, GLY289A, GLY289B, GLY290A, GLY290B, GLY294A, GLY294B, GLY43A, GLY43B, GLY45A, GLY45B, HIS285A, HIS285B, HIS292A, HIS292B, HIS3A, HIS3B, ILE131A, ILE131B, ILE187A, ILE187B, ILE222A, ILE222B, ILE226A, ILE226B, ILE232A, ILE232B, LEU129A, LEU129B, LEU175A, LEU175B, LEU207A, LEU207B, LEU265A, LEU265B, LEU272A, LEU272B, LEU293A, LEU293B, LEU47A, LEU47B, LEU4A, LEU4B, LYS177A, LYS177B, LYS215A, LYS215B, LYS220A, LYS220B, LYS257A, LYS257B, LYS48A, LYS48B, LYS51A, LYS51B, MET256A, MET256B, PHE250A, PHE250B, PRO176A, PRO176B, PRO229A, PRO229B, PRO231A, PRO231B, PRO255A, PRO255B, PRO267A, PRO267B, PRO7A, PRO7B, SER180A, SER180B, SER274A, SER274B, SER277A, SER277B, SER278A, SER278B, SER44A, SER44B, THR254A, THR254B, THR281A, THR281B, THR8A, THR8B, THR9A, THR9B, TRP233A, TRP233B, TYR11A, TYR11B, TYR16B, TYR190A, TYR190B, TYR269A, TYR269B, TYR271A, TYR271B, TYR279A, TYR279B, TYR41A, TYR41B, TYR5A, TYR5B, VAL217A, VAL217B, VAL224A, VAL224B, VAL227A, VAL227B, VAL268A, VAL268B, VAL270A, VAL270B, VAL280A, VAL280B, VAL284A, VAL284B, VAL287A, VAL287B, VAL42A, VAL42B
• A-C: ALA158A, ALA158C, ALA163A, ALA163C, ALA171A, ALA171C, ALA189A, ALA189C, ALA200A, ALA200C, ALA201A, ALA201C, ALA204A, ALA204C, ALA205A, ALA205C, ALA214A, ALA214C, ALA218A, ALA218C, ALA282A, ALA282C, ARG116A, ARG116C, ARG211A, ARG211C, ASN208A, ASN208C, ASP147A, ASP147C, ASP198A, ASP198C, GLN152A, GLN152C, GLN154A, GLN154C, GLN155A, GLN155C, GLN169A, GLN169C, GLN188A, GLN188C, GLN191A, GLN191C, GLN216A, GLN216C, GLU112A, GLU112C, GLU144A, GLU144C, GLU151A, GLU151C, GLU170A, GLU170C, GLU219A, GLU219C, GLY212A, GLY212C, GLY294A, GLY294C, HIS195A, HIS195C, ILE142A, ILE142C, ILE145A, ILE145C, ILE167A, ILE167C, ILE172A, ILE172C, ILE187A, ILE187C, ILE206A, ILE206C, ILE226A, ILE226C, LEU148A, LEU148C, LEU164A, LEU164C, LEU196A, LEU196C, LEU197A, LEU197C, LEU207A, LEU207C, LEU213A, LEU213C, LYS146A, LYS146C, LYS203A, LYS203C, LYS215A, LYS215C, LYS220A, LYS220C, PHE153A, PHE153C, PHE157A, PHE157C, PHE162A, PHE162C, PHE165A, PHE165C, PRO143A, PRO143C, PRO173A, PRO173C, PRO192A, PRO192C, PRO194A, PRO194C, SER110A, SER110C, SER150A, SER150C, SER185A, SER185C, SER186A, SER186C, SER193A, SER193C, SER210A, SER210C, THR149A, THR149C, THR156A, THR156C, THR168A, THR168C, THR202A, THR202C, TRP166A, TRP166C, TYR190A, TYR190C, TYR199A, TYR199C, TYR209A, TYR209C, VAL161A, VAL161C, VAL217A, VAL217C
• A-D: ALA189A, ALA189D, GLN188A, GLN188D, GLN191A, GLN191D, GLU291A, GLU291D, GLY290A, GLY290D, GLY294A, GLY294D, HIS292A, HIS292D, ILE187A, ILE187D, LEU293A, LEU293D, PRO192A, PRO192D, PRO194A, PRO194D, PRO255A, PRO255D, SER193A, SER193D, TYR190A, TYR190D
• B-C: ALA189B, ALA189C, GLN188B, GLN188C, GLN191B, GLN191C, GLU291B, GLU291C, GLY290B, GLY290C, GLY294B, GLY294C, HIS292B, HIS292C, ILE187B, ILE187C, LEU293B, LEU293C, PRO192B, PRO192C, PRO194B, PRO194C, PRO255B, PRO255C, SER193B, SER193C, TYR190B, TYR190C
• B-D: ALA158B, ALA158D, ALA163B, ALA163D, ALA171B, ALA171D, ALA189B, ALA189D, ALA200B, ALA200D, ALA201B, ALA201D, ALA204B, ALA204D, ALA205B, ALA205D, ALA214B, ALA214D, ALA218B, ALA218D, ALA282B, ALA282D, ARG116B, ARG116D, ARG211B, ARG211D, ASN208B, ASN208D, ASP147B, ASP147D, ASP198B, ASP198D, GLN152B, GLN152D, GLN154B, GLN154D, GLN155B, GLN155D, GLN169B, GLN169D, GLN188B, GLN188D, GLN191B, GLN191D, GLN216B, GLN216D, GLU112B, GLU112D, GLU144B, GLU144D, GLU151B, GLU151D, GLU170B, GLU170D, GLU219B, GLU219D, GLY212B, GLY212D, GLY294B, GLY294D, HIS195B, HIS195D, ILE142B, ILE142D, ILE145B, ILE145D, ILE167B, ILE167D, ILE172B, ILE172D, ILE187B, ILE187D, ILE206B, ILE206D, ILE226D, LEU148B, LEU148D, LEU164B, LEU164D, LEU196B, LEU196D, LEU197B, LEU197D, LEU207B, LEU207D, LEU213B, LEU213D, LYS146B, LYS146D, LYS203B, LYS203D, LYS215B, LYS215D, LYS220B, LYS220D, PHE153B, PHE153D, PHE157B, PHE157D, PHE162B, PHE162D, PHE165B, PHE165D, PRO143B, PRO143D, PRO173B, PRO173D, PRO192B, PRO192D, PRO194B, PRO194D, SER110D, SER150B, SER150D, SER185B, SER185D, SER186B, SER186D, SER193B, SER193D, SER210B, SER210D, THR149B, THR149D, THR156B, THR156D, THR168B, THR168D, THR202B, THR202D, TRP166B, TRP166D, TYR190B, TYR190D, TYR199B, TYR199D, TYR209B, TYR209D, VAL161B, VAL161D, VAL217B, VAL217D
• C-D: ALA179C, ALA179D, ALA214C, ALA214D, ALA218C, ALA218D, ALA228C, ALA228D, ALA259C, ALA259D, ALA263C, ALA263D, ALA266C, ALA266D, ALA273C, ALA273D, ALA282C, ALA282D, ARG211C, ARG211D, ARG223C, ARG223D, ARG258C, ARG258D, ARG46C, ARG46D, ARG50C, ARG50D, ASN208C, ASN208D, ASN225C, ASN225D, ASP130C, ASP130D, ASP49C, ASP49D, ASP6C, ASP6D, CYS288C, CYS288D, GLN10C, GLN10D, GLN216C, GLN216D, GLN252C, GLN252D, GLN253C, GLN253D, GLN261C, GLN261D, GLN275C, GLN275D, GLU219C, GLU219D, GLU264C, GLU264D, GLU276C, GLU276D, GLU283C, GLU283D, GLU291C, GLU291D, GLU72C, GLU72D, GLY178C, GLY178D, GLY212C, GLY212D, GLY221C, GLY221D, GLY230C, GLY230D, GLY251C, GLY251D, GLY260C, GLY260D, GLY286C, GLY286D, GLY289C, GLY289D, GLY290C, GLY290D, GLY294C, GLY294D, GLY43C, GLY43D, GLY45C, GLY45D, HIS285C, HIS285D, HIS292C, HIS292D, HIS3C, HIS3D, ILE131C, ILE131D, ILE187C, ILE187D, ILE222C, ILE222D, ILE226C, ILE226D, ILE232C, ILE232D, LEU129C, LEU129D, LEU175C, LEU175D, LEU207C, LEU207D, LEU265C, LEU265D, LEU272C, LEU272D, LEU293C, LEU293D, LEU47C, LEU47D, LEU4C, LEU4D, LYS177C, LYS177D, LYS215C, LYS215D, LYS220C, LYS220D, LYS257C, LYS257D, LYS48C, LYS48D, LYS51C, LYS51D, MET256C, MET256D, PHE250C, PHE250D, PRO176C, PRO176D, PRO229C, PRO229D, PRO231C, PRO231D, PRO255C, PRO255D, PRO267C, PRO267D, PRO7C, PRO7D, SER180C, SER180D, SER274C, SER274D, SER277C, SER277D, SER278C, SER278D, SER44C, SER44D, THR13D, THR254C, THR254D, THR281C, THR281D, THR8C, THR8D, THR9C, THR9D, TRP233C, TRP233D, TYR11C, TYR11D, TYR190C, TYR190D, TYR269C, TYR269D, TYR271C, TYR271D, TYR279C, TYR279D, TYR41C, TYR41D, TYR5C, TYR5D, VAL217C, VAL217D, VAL224C, VAL224D, VAL227C, VAL227D, VAL268C, VAL268D, VAL270C, VAL270D, VAL280C, VAL280D, VAL284C, VAL284D, VAL287C, VAL287D, VAL42C, VAL42D