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| The DSSP program automates protein secondary structure assignment from PDB structures, using an algorithm that assigns every residue to one of eight states. However, any discrete assignment is incomplete, because the continuum of thermal fluctuations cannot be described. Hence, a continuous assignment of secondary structure that replaces 'static' by 'dynamic' states is used here. Continuous DSSP (DSSPcont) assignments are obtained as weighted averages over ten DSSP assignments with different hydrogen bond thresholds. The continuous DSSP assignments calculated from a single set of coordinates reflect the structural variations due to thermal fluctuations. |
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