I m building a protein with a template of relatively low identity
score, but good HCA alignement .
I want to restraint parts of my protein to be in beta strands.
I tried
SUBROUTINE ROUTINE = 'special_restraints'
SET ADD_RESTRAINTS = on
MAKE_RESTRAINTS RESTRAINT_TYPE = 'strand', RESIDUE_IDS = '60' '64'
MAKE_RESTRAINTS RESTRAINT_TYPE = 'strand', RESIDUE_IDS = '71' '76'
RETURN
END_SUBROUTINE
and
SUBROUTINE ROUTINE = 'special_restraints'
SET ADD_RESTRAINTS = on
MAKE_RESTRAINTS RESTRAINT_TYPE = 'strand', RESIDUE_IDS = '60' '64'
MAKE_RESTRAINTS RESTRAINT_TYPE = 'strand', RESIDUE_IDS = '71' '76'
MAKE_RESTRAINTS RESTRAINT_TYPE = 'SHEET', ATOM_IDS = 'N:60' 'O:76',
SHEET_H-BONDS = -5
RETURN
END_SUBROUTINE
in the top file,
but beta strands are not in any of my models, nor it is in the structure
.ini .
Is it possible that the restraint is too 'heavy' for the molecule?