Secondary structure input
In a file with secondary structure predictions, per-residue secondary structure should be given as a string of secondary structure types: H (helix), B (beta-strand), and C (coil). The secondary structure string should match the input PDB file. More specifically, the length of a secondary structure string should be exactly(!) the same as the number of residues in the input PDB file.
For example, here is a string of predicted secondary structure for ubiquitin:
CBBBBBBCCCCBBBBBBCCCCCHHHHHHHHHHHCCCCCCCCBBBBCCBBCCCCCCHHHHCCCCCCBBBBBBBCCCC
There should be no empty lines or empty spaces in the file.
Only secondary structure of monomeric proteins is currently accepted. See an example of secondary structure file below.
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Secondary structure of ubiquitin derived from chemical shifts
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Problems? Suggestions? Please
contact Wishart group
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