PROFILER_3D reads the output file of the program ENVIRONMENTS and a
3D-1D scoring table and creates a profile.
It will ask for the following:
1) The ENVIRONMENTS output file
2) A file containing the 3D-1D scoring table
3) A gap penalty multiplier for the coil regions. This number is placed
in the last two columns of the profile in the non-secondary structure
regions. The secondary structure regions get a value of 100. What
does this mean? In PROFILESEARCH, you will enter a gap opening and
a gap extension penalty. These will be modified for each position
according to the penalty multiplier for that position. So the
actually gap penalty for position i = GapPen x M(i)/100, where M(i)
is the gap penalty multiplier from the profile at position i and
GapPen is the gap penalty entered in PROFILESEARCH. So, if the value
of the multiplier is 100 (the usual situation) then the gap penalty
at the position will be the gap penalty you enter in PROFILESEARCH.
If the multiplier is 10, the the gap penalty for the position will
be 1/10 the value entered in PROFILESEARCH. Since gaps appear to
occur more frequently in coil regions, you might want to lower the
multiplier for those areas. I would try keeping it at 100 for
starters. Like gap penalties, its an empirical thing. Play games.
4) A file name for the output profile.