title: DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts.
abstract: A program, DipoCoup, is presented that allows to search the protein data bank for proteins which have a three dimensional fold that is at least partially homologous to a protein under investigation. The three dimensional homology search uses secondary structure alignment based on chemical shifts and dipolar couplings or pseudocontact shifts for the three dimensional orientation of secondary structure elements. Moreover, the program offers additional tools for handling and analyzing dipolar couplings.
authors.affiliation: Universität Frankfurt, Institut für Organische Chemie, Frankfurt am Main, Germany.
authors.forename: J
authors.initials: J
authors.lastname: Meiler
authors.forename: W
authors.initials: W
authors.lastname: Peti
authors.forename: C
authors.initials: C
authors.lastname: Griesinger
mesh_terms: D000595:Amino Acid Sequence; D021984:Cyclophilin A / Q000737:chemistry; D016208:Databases, Factual; D019476:Insect Proteins / Q000737:chemistry; D008969:Molecular Sequence Data; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D017510:Protein Folding; D017433:Protein Structure, Secondary; D011506:Proteins / Q000737:chemistry*; D012984:Software
chemical_list: D019476:Insect Proteins; D011506:Proteins; C082506:rhodniin protein, Rhodnius; D021984:Cyclophilin A