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POSTSTAMP

There is something inherrently wrong with the way STAMP assigns equivalences within multiple alignments. It considers an average set of coordinates and uses an average set of probabilities to derive equivalences when more than two structures are involved, and as a consequence, it appears to go wrong (sometimes only) during this process. Usually this is only when very distantly related proteins are being considered. A fix to this problem is to consider each pair of structures within the alignment separately, and to re-calculate the raw Rossmann and Argos probabilities. One need then define positions as structurally equivalent when all pairs of structures have a value larger than a cutoff at a particular residue position.

For example, for ten structures, there are ( pairs. For a position to be structurally equivalent across all members of the family, should be for all 45 pairs.

POSTSTAMP does just this. It adds two new STAMP format fields to a STAMP alignment file: one tells whether the above is true (1) or false (0) for each position (i.e. is each position structurally equivalent across all members of the family); the second tells how many pairwise comparison have greater than or equal to the cutoff (e.g. 0.5).

For example,

poststamp globin.5 0.5

Creates a file globin.5.post, containing the above data for a value of 0.5.



Rob Russell and Geoff Barton