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qmean value

by Dr. Stacey Lemke Jr. Published 3 years ago Updated 3 years ago

QMEAN is a composite scoring function
scoring function
Procedure to quantify the predictive capability of a docking protocol. In the fields of computational chemistry and molecular modelling, scoring functions are mathematical functions used to approximately predict the binding affinity between two molecules after they have been docked.
https://en.wikipedia.org › Scoring_functions_for_docking
which is able to derive both global (i.e. for the entire structure) and local (i.e. per residue) absolute quality estimates on the basis of one single model. There are two global score values, QMEAN4 and QMEAN6. QMEAN4 is a linear combination of four statistical potential terms.

Full Answer

What is the difference between qmean4 and qmean6?

There are two global score values, QMEAN4 and QMEAN6. QMEAN4 is a linear combination of four statistical potential terms. QMEAN6 additionally uses two agreement terms evaluating the consistency of structural features with sequence based predictions.

What is the range of the qmean4 scores?

They all provide scores in range [0,1] with one being good. QMEAN4 is a linear combination of four statistical potential terms. It is trained to predict global lDDT score in range [0,1]. The value displayed here is transformed into a Z-score to relate it with what one would expect from high resolution X-ray structures.

What is the difference between qmean4 and local quality?

The plot relates the obtained global QMEAN4 value to scores calculated from a set of high-resolution X-ray structures. Local quality is either estimated using the raw QMEAN scoring function or one of the two specialized functions QMEANBrane and QMEANDisCo.

What is qmeanbrane?

QMEANBrane is a version of QMEAN developed to assess the local quality of membrane protein models. QMEANBrane employs specifically trained potentials for three different segments (membrane, interface and soluble) in a transmembrane protein model.

What is a good Qmean score?

QMEAN z-scores around zero indicate good agreement between the model structure and experimental structures of similar size. Models of low quality typically have scores of -4.0 or lower. The “thumbs-up” and “thumbs-down” symbols next to the score are used to indicate whether or not the model is of good quality (9).

What is Qmean score?

QMEAN, which stands for Qualitative Model Energy ANalysis, is a composite scoring function describing the major geometrical aspects of protein structures. Five different structural descriptors are used. The local geometry is analyzed by a new kind of torsion angle potential over three consecutive amino acids.

What is SWISS-MODEL used for?

SWISS-MODEL (http://swissmodel.expasy.org) is a server for automated comparative modeling of three-dimensional (3D) protein structures. It pioneered the field of automated modeling starting in 1993 and is the most widely-used free web-based automated modeling facility today.

What is GMQE in SWISS-MODEL?

GMQE (Global Model Quality Estimate) is a quality estimate which combines properties from the target-template alignment and the template structure.

What is Rmsd in protein structures?

Root mean square deviation (RMSD) is used for measuring the difference between the backbones of a protein from its initial structural conformation to its final position. The stability of the protein relative to its conformation can be determined by the deviations produced during the course of its simulation.

Why is homology Modelling important?

Homology modeling obtains the three dimensional structure of a target protein based on the similarity between template and target sequences and this technique proves to be efficient when it comes to studying membrane proteins that are hard to crystallize like GPCR as it provides a higher degree of understanding of ...

How accurate is SWISS-MODEL?

SWISS-MODEL is a structural bioinformatics web-server dedicated to homology modeling of 3D protein structures. Homology modeling is currently the most accurate method to generate reliable three-dimensional protein structure models and is routinely used in many practical applications.

What is Swiss PDB?

Description. Swiss-PdbViewer (aka DeepView) is an application that provides a user friendly interface allowing to analyze several proteins at the same time. The proteins can be superimposed in order to deduce structural alignments and compare their active sites or any other relevant parts.

How do you reference a SWISS-MODEL?

If you are using models from the SWISS-MODEL Server or Repository, please cite the corresponding articles:SWISS-MODEL Workspace/ GMQE. ... SWISS-MODEL Repository. ... Swiss-PdbViewer/ DeepView project mode. ... ProMod3. ... QMEANDisCo. ... QMEANBrane. ... QMEAN. ... Quaternary Structure Prediction/ QSQE.More items...•

What is GMQE value?

GMQE (Global Model Quality Estimation) is is expressed as a number between 0 and 1, reflecting the expected accuracy of a model built with that alignment and template, normalized by the coverage of the target sequence. Higher numbers indicate higher reliability.

What is Q mean in Swiss model?

QMEAN is a composite scoring function which is able to derive both global (i.e. for the entire structure) and local (i.e. per residue) absolute quality estimates on the basis of one single model.

What is homology Modelling in bioinformatics?

Homology modeling, also known as comparative modeling of protein, refers to constructing an atomic-resolution model of the "target" protein from its amino acid sequence and an experimental three-dimensional structure of a related homologous protein (the "template").

1. Introduction

Estimating the quality of protein structure models is a vital step in protein structure prediction. Often one ends up in having a set of alternative models ( e.g. from different modeling servers or based on alternative template structures and alignments) from which the best candidate shall be selected.

3. Input Format Requirements

Either a model in PDB format or tar.gz -archives with multiple models in PDB format sharing the same reference sequence (SEQRES) can be uploaded.

4. Input Data Processing

Local qualities are visible as color gradients in the model viewer. They additionally get mapped onto the structures available in the downloadable archives as bfactors. The server provides you with two alternative structures in the archives that undergo certain processing steps.

5. Programmatic Access

One can access QMEAN-SERVER programatically with provided API. In order to use QMEAN submission API you have to make a POST request to the https://swissmodel.expasy.org/qmean/submit/ with following parameters. (Parameters "structure" and "email" are required)

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