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MERA: A webserver for evaluating backbone torsion angle distributions in dynamic and disordered proteins from NMR dataстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 23 октября 2015 г.
- Авторы: Mantsyzov A.B., Shen Y., Lee J.H., Hummer G., Bax A.
- Журнал: Journal of Biomolecular NMR
- Том: 63
- Номер: 1
- Год издания: 2015
- Издательство: Springer Nature
- Местоположение издательства: Switzerland
- Первая страница: 85
- Последняя страница: 95
- DOI: 10.1007/s10858-015-9971-2
- Аннотация: MERA (Maximum Entropy Ramachandran map Analysis from NMR data) is a new webserver that generates residue-by-residue Ramachandran map distributions for disordered proteins or disordered regions in proteins on the basis of experimental NMR parameters. As input data, the program currently utilizes up to 12 different parameters. These include three different types of short-range NOEs, three types of backbone chemical shifts (15N, 13Cα, and 13Cʹ), six types of J couplings (3J¬HNHα, 3J¬CʹCʹ, 3J¬CʹHα, 1JHαCα, 2JCαN and 1JCαN), as well as the 15N-relaxation derived J(0) spectral density. The Ramachandran map distributions are reported in terms of populations of their 15°×15° voxels, and an adjustable maximum entropy weight factor is available to ensure that the derived distributions will not deviate more from a newly derived coil library distribution than required to account for the experimental data. MERA output includes the agreement between each input parameter and its distribution-derived value. As an application, we demonstrate performance of the program for several residues in the intrinsically disordered protein α-synuclein, as well as for several static and dynamic residues in the folded protein GB3. MERA is available free of charge at http://spin.niddk.nih.gov/bax/nmrserver/mera .
- Добавил в систему: Манцызов Алексей Борисович
Прикрепленные файлы
| № | Имя | Описание | Имя файла | Размер | Добавлен |
|---|---|---|---|---|---|
| 1. | Полный текст | Mantsyzov.pdf | 1,5 МБ | 26 ноября 2015 [alazarev] |