The DSSP program was designed by Wolfgang Kabsch and Chris Sander to standardize secondary structure assignment. DSSP is a database of secondary structure assignments (and much more) for all protein entries in the Protein Data Bank (PDB). DSSP is also the program that calculates DSSP entries from PDB entries.‎Explanation · ‎Introduction · ‎Output short · ‎Usage. DSSP uses a single hydrogen bond energy term to assign eight states of secondary structure elements (SSEs) to three-dimensional. DSSP. My talk this week focused on secondary structure (SS) assignment. What do I mean by this? It is assigning SS types (principally.


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In order to measure the involvement of a residue at the interface, the same principle can be dssp secondary structure, that is, measure the ASA of the residue in the subunit alone and in complex.

Depending on the goal of the study, it can be important to consider the relative ASA rather than the dssp secondary structure ASA, as not all amino acids have the same size i.

Finally, protein—protein interfaces can be defined based on contacts between subunits rather than based on ASA.

DSSP (hydrogen bond estimation algorithm)

The definition can be loose, for instance, any pair of residues is considered dssp secondary structure contact when their alpha or beta carbons are closer than a given cut-off value. It can be more detailed by taking into account side chains e.


Focusing on the amino acid composition The literature on dssp secondary structure general properties of protein—protein interfaces is so extensive that it cannot be thoroughly reviewed here.

We thus refer the reader to the following books and reviews. In this section, we focus specifically on the amino acid composition of interfaces and how it varies across different regions within the interface. In particular, we will try to dssp secondary structure the extent to which interface and surface differ.

DSSP (hydrogen bond estimation algorithm) - an overview | ScienceDirect Topics

Protein—protein interfaces, in general, tend to be more hydrophobic than protein surfaces, and dssp secondary structure have frequently been described as having more hydrophobic interfaces than hetero-oligomers. The same is true of obligate homomers, the interfaces of which appear more hydrophobic than those of transient homomers.

To some extent, this is linked to differences in interface sizes, because polar amino acids tend to be exposed to the solvent, while hydrophobic amino acids tend to be buried. In other words, the perimeter, which is exposed to the dssp secondary structure and therefore hydrophilic, represents a smaller fraction of larger interfaces.

The core—rim model was extended with a third category, called the support.

The support, rim, and core are dssp secondary structure in Fig. This definition relies first on the dichotomy of structures into two classes: Theory The DSSP program works by calculating the most likely secondary structure assignment given the 3D structure of a protein.

It does this by reading the position of the atoms in a protein followed by calculation of the H-bond energy between all atoms.

DSSP (hydrogen bond estimation algorithm) - Wikipedia

The algorithm will discard any hydrogens present in the input structure and calculates the dssp secondary structure hydrogen positions by placing them at 1. The best two H-bonds for each atom are then used to determine the most likely class of secondary structure for each residue in the protein.


This means you do need to have a full dssp secondary structure valid 3D structure for a protein to be able to calculate the secondary structure.

There's no magic in DSSP, so e. And, again, DSSP does not predict secondary structures, it just extracts this information from the 3D coordinates.

These changes are listed in this page, and are separately dssp secondary structure. In the beginning of this century Elmar Krieger made a series of corrections and adaptations to PDB file format modifications.


You can download the sources from https: Then, in the terminal you type the command to execute dssp and the file to operate on, e.