DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts

A program, DipoCoup, is presented that allows to search the protein data ba nk for proteins which have a three dimensional fold that is at least partia lly homologous to a protein under investigation. The three dimensional homo logy search uses secondary structure alignment based on chemical shifts and dipolar couplings or pseudocontact shifts for the three dimensional orient ation of secondary structure elements. Moreover, the program offers additio nal tools for handling and analyzing dipolar couplings.