Russian Journal of Biological Physics and Chemisrty Russian Journal of Biological Physics and Chemisrty АКТУАЛЬНЫЕ ВОПРОСЫ БИОЛОГИЧЕСКОЙ ФИЗИКИ И ХИМИИ 2499-9962 54446 Моделирование в биофизике Modelling in biophycis Моделирование в биофизике QUANTIFICATION OF CHIRALITY SPIRAL PROTEIN STRUCTURES КОЛИЧЕСТВЕННАЯ ОЦЕНКА ХИРАЛЬНОСТИ СПИРАЛЬНЫХ СТРУКТУР БЕЛКОВ Луценко А О Lutsenko A O Сидорова А Э Sidorova A E sky314bone@mail.ru Московский государственный университет им. М.В. Ломоносова ru Lomonosov Moscow State University ru Московский государственный университет им. М.В. Ломоносова ru Lomonosov Moscow State University ru 25 09 2019 25 09 2019 4 3 369 373 20 09 2019 20 09 2019 https://rusjbpc.ru/en/nauka/article/54446/view

Предложен новый подход к оценке знака хиральности (спиральности и суперспиральности) в структурной иерархии белков. Для определения знака и величины хиральности вторичной структуры белков проведен анализ взаимного расположения α-углеродов. Угол между вектором направления спирали и вектором суммы векторных произведений позволяет однозначно идентифицировать направление вращения спирали в молекуле. Данный метод позволяет построение карт хиральности, где четко обозначены области, соответствующие узкому диапазону возможного угла для двух типов вторичной спиральной структуры.

A new approach to evaluating the sign of chirality (helicity and superhelixity) in the structural hierarchy of proteins is proposed. To determine the sign and magnitude of the chirality of the secondary structure of proteins, an analysis of the relative location of α-carbons was carried out. The angle between the vector of the helix direction and the vector of the sum of vector products allows to unambiguously identify the direction of rotation of the helix in the molecule. This method allows the construction of chiral maps, where the areas corresponding to the narrow range of possible angles for the two types of secondary helix structure are clearly marked.

 белки хиральность энантиомеры альфа-углерод правая альфа-спираль левая полипролиновая спираль векторное произведение вектор направления карта хиральности proteins chirality enantiomers alpha-carbon right alpha-helix left polyproline helix vector product direction vector chirality map

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