2RAG

crystal structure of aminohydrolase from caulobacter crescentus

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 76
  • Norm. En. per Res.: -4.6834
• 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	-51.1613	-119.4243	-185.356	-355.9415	76	9	6	7538	11	35	49
A-D	-16.1675	-41.6871	-107.525	-165.3797	67	8	4	5372	3	15	19
B-C	-21.6074	-35.5156	-113.717	-170.84	68	7	3	5573	4	15	23
B-D	0.0	0.0	-0.071	-0.071	4	0	0	26	0	2	2
C-D	-55.0643	-57.7006	-177.004	-289.7689	72	5	5	7190	10	34	48

Interface residues

• A-B: ALA112A, ALA112B, ALA116A, ALA128A, ALA128B, ALA129A, ALA129B, ARG113A, ARG113B, ARG119A, ARG119B, ARG124A, ARG124B, ASN130A, ASN130B, ASP114A, ASP114B, ASP167A, ASP167B, ASP66A, GLU106A, GLU106B, GLU122A, GLU122B, GLU125A, GLU125B, GLU172A, GLU172B, GLU177A, GLU177B, GLY178B, HIS118A, HIS118B, ILE121A, ILE121B, ILE123A, ILE123B, LEU117A, LEU117B, LEU127A, LEU127B, LEU168A, LEU168B, LEU170A, LEU170B, LYS107A, LYS107B, LYS176A, LYS176B, MET126A, MET126B, MET136A, MET136B, PHE174A, PHE174B, PRO131A, PRO131B, SER169A, SER169B, THR110A, THR110B, THR120A, THR120B, THR173A, THR173B, TYR109A, TYR109B, TYR111A, TYR111B, TYR115A, TYR115B, TYR175B, VAL164A, VAL164B, VAL171A, VAL171B
• A-D: ALA216A, ALA240A, ALA274A, ARG188D, ARG213A, ARG213D, ARG220A, ARG267A, ASN189D, ASN190D, ASN205A, ASN205D, ASP194A, ASP194D, ASP198D, ASP233A, ASP236A, GLN191D, GLN237A, GLN237D, GLU103D, GLU106D, GLU166A, GLU166D, GLU217A, GLY102D, GLY108D, GLY165D, GLY201D, GLY206A, GLY211A, GLY211D, ILE203A, ILE203D, LEU104D, LEU168A, LEU192D, LEU210A, LEU210D, LEU212A, LEU212D, LEU215A, LEU241A, LYS107D, LYS200D, LYS202A, LYS202D, LYS243A, LYS270A, PRO199D, PRO209A, PRO209D, SER208A, SER208D, SER238A, SER242A, THR105D, THR110D, TRP204A, TRP204D, TRP214A, TYR109D, TYR207A, TYR207D, TYR411A, VAL234A, VAL239A
• B-C: ALA216C, ALA240C, ALA274C, ARG188B, ARG213B, ARG213C, ARG220C, ARG267C, ASN189B, ASN190B, ASN205B, ASN205C, ASN219C, ASP194B, ASP194C, ASP198B, ASP233C, ASP236C, GLN191B, GLN237B, GLN237C, GLU103B, GLU106B, GLU166B, GLU217C, GLY102B, GLY108B, GLY165B, GLY201B, GLY206C, GLY211B, GLY211C, ILE203B, ILE203C, LEU104B, LEU168C, LEU192B, LEU210B, LEU210C, LEU212B, LEU212C, LEU215C, LEU241C, LYS107B, LYS200B, LYS202B, LYS202C, LYS243C, LYS270C, PRO199B, PRO209B, PRO209C, SER208B, SER208C, SER238C, SER242C, THR105B, THR110B, TRP204B, TRP204C, TRP214C, TYR109B, TYR207B, TYR207C, TYR411C, VAL234C, VAL235C, VAL239C
• B-D: GLU106B, GLU106D, LYS107B, LYS107D
• C-D: ALA112C, ALA112D, ALA128C, ALA128D, ALA129C, ALA129D, ARG113C, ARG113D, ARG119C, ARG119D, ARG124C, ARG124D, ASN130C, ASN130D, ASP114C, ASP114D, ASP167C, ASP167D, ASP66C, ASP66D, GLU106C, GLU106D, GLU122C, GLU122D, GLU125C, GLU125D, GLU172C, GLU172D, GLU177C, GLU177D, HIS118C, HIS118D, ILE121C, ILE121D, ILE123C, ILE123D, LEU117C, LEU117D, LEU127C, LEU127D, LEU168C, LEU168D, LEU170C, LEU170D, LYS107C, LYS107D, LYS176C, LYS176D, MET126C, MET126D, MET136C, MET136D, PHE174C, PHE174D, PRO131C, PRO131D, SER169C, SER169D, THR110C, THR110D, THR120C, THR120D, THR173C, THR173D, TYR111C, TYR111D, TYR115C, TYR115D, VAL164C, VAL164D, VAL171C, VAL171D