|Nucleic Acids Research (2003) 31:3293-5|
|Northeast Structural Genomics Consortium|
(click to unfold)
The DSSP program automatically assigns the secondary structure for each residue from the three-dimensional co-ordinates of a protein structure to one of eight states. ...
However, discrete assignments are incomplete in that they cannot capture the continuum of thermal fluctuations. Therefore, DSSPcont (http://cubic.bioc.columbia.edu/services/DSSPcont) introduces a continuous assignment of secondary structure that replaces 'static' by 'dynamic' states. Technically, the continuum results from calculating weighted averages over 10 discrete DSSP assignments with different hydrogen bond thresholds. A DSSPcont assignment for a particular residue is a percentage likelihood of eight secondary structure states, derived from a weighted average of the ten DSSP assignments. The continuous assignments have two important features: (i) they reflect the structural variations due to thermal fluctuations as detected by NMR spectroscopy; and (ii) they reproduce the structural variation between many NMR models from one single model. Therefore, functionally important variation can be extracted from a single X-ray structure using the continuous assignment procedure.
|Internet Models, Molecular User-Computer Interface Protein Structure, Secondary Amino Acid Sequence Proteins Software Algorithms Nuclear Magnetic Resonance, Biomolecular Hydrogen Bonding |
|61 (Last update: 07/22/2017 11:48:49am)|
|Nucleic Acids Res. 2003 Jul 1;31(13):3293-5.|