Hydrogen bonds conformational stability table for: Regression model for predicting pathogenic properties of the SOD1 mutants based on the analysis of conformational stability and conservation of hydrogen bonds

Published: 23 September 2017| Version 2 | DOI: 10.17632/xg7tt8w569.2
Contributors:
Nikolay Alemasov,
Nikita Ivanisenko,
Vladimir Ivanisenko

Description

A table of hydrogen bonds for the WT SOD1 and its mutants. Hydrogen bonds were detected with cpptraj inside every structure among the conformations analyzed in the WT and mutants. The conformational conservation of every hydrogen bond found was calculated within the conformations ensemble given. Columns of this table corresponded to the SOD1 structures, including WT and mutants. Its rows indicate the hydrogen bonds detected. The cells of the table showing the conformational conservation averaged 55 conformations.

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Categories

Molecular Modeling, Hydrogen Bonding

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