| 摘要 |
A computer-assisted method for assigning an amino acid probe sequence to a known three-dimensional protein structure. In particular, the invention includes a method for using the amino acid sequence of a probe plus sequence-derived properties of the probe in making fold assignments. The method includes inputting into a computer system a string p1, p2 . . . pn describing the amino acid sequence of the probe sequence and at least one sequence-derived property for the probe sequence; inputting into a computer system a string t1, t2 . . . tm of structural properties for each member of a library of known 3D structures; executing an alignment algorithm in the computer to compute an alignment score indicating the optimal alignment of the string p1, p2 . . . pn to each string t1, t2 . . . tm by applying a combined compatibility function g(pi, tj); determining the statistical significance of each alignment score to determine a best-fit alignment score; and applying the best-fit alignment score to indicate or select the corresponding 3D protein structure from the library for output to a user. The invention includes a computer program implementation of such a method.
|
