BeStSel: webserver for secondary structure and fold prediction for protein CD spectroscopy.
BeStSel: webserver for secondary structure and fold prediction for protein CD spectroscopy.
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DOI：
10.1093/nar/gkac345
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发表时间：
2022-07-05
影响因子：
14.9
通讯作者：
Kardos, Jozsef
中科院分区：
文献类型：
--
作者：
Micsonai, Andras;Moussong, Eva;Wien, Frank;Boros, Eszter;Vadaszi, Henrietta;Murvai, Nikoletta;Lee, Young-Ho;Molnar, Tamas;Refregiers, Matthieu;Goto, Yuji;Tantos, Agnes;Kardos, Jozsef
圆二色性（CD）光谱被广泛用于表征蛋白质的二级结构组成。为了从CD光谱中获得准确和详细的结构信息，我们开发了β结构选择（BeStSel）方法（PNAS，112，E3095），该方法可以处理β结构蛋白质的光谱多样性。BeStSel网络服务器为该方法提供了有用的附件，主要目标是分析单个或多个蛋白质CD光谱。独特的是，BeStSel提供了八种二级结构组分的信息，包括平行β-结构和具有三种不同扭曲基团的反平行β-折叠。它优于任何可用的方法的准确性和信息内容，此外，它是能够预测的蛋白质折叠到拓扑结构/同源性水平的CATH分类。网络服务器的一个新模块有助于通过CD光谱区分内在无序的蛋白质。上传的PDB文件的二级结构计算将有助于蛋白质MD的实验验证和使用CD光谱的计算机模拟。该服务器还为CD用户计算一级序列的消光系数，以确定准确的蛋白质浓度，这是可靠的二级结构测定的先决条件。BeStSel服务器可以在https://bestsel.elte.hu上免费访问。BeStSel网络服务器用于蛋白质CD光谱分析的功能。
Circular dichroism (CD) spectroscopy is widely used to characterize the secondary structure composition of proteins. To derive accurate and detailed structural information from the CD spectra, we have developed the Beta Structure Selection (BeStSel) method (PNAS, 112, E3095), which can handle the spectral diversity of β-structured proteins. The BeStSel webserver provides this method with useful accessories to the community with the main goal to analyze single or multiple protein CD spectra. Uniquely, BeStSel provides information on eight secondary structure components including parallel β-structure and antiparallel β-sheets with three different groups of twist. It overperforms any available method in accuracy and information content, moreover, it is capable of predicting the protein fold down to the topology/homology level of the CATH classification. A new module of the webserver helps to distinguish intrinsically disordered proteins by their CD spectrum. Secondary structure calculation for uploaded PDB files will help the experimental verification of protein MD and in silico modelling using CD spectroscopy. The server also calculates extinction coefficients from the primary sequence for CD users to determine the accurate protein concentrations which is a prerequisite for reliable secondary structure determination. The BeStSel server can be freely accessed at https://bestsel.elte.hu. Functions of the BeStSel web server for the analysis of protein CD spectra.
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影响因子：
4.6
作者：
Kaur G;Kaundal S;Kapoor S;Grimes JM;Huiskonen JT;Thakur KG
通讯作者：
Thakur KG
靶向癌症中的ERBB3受体，其乳腺抑制性抗体。
影响因子：
4.7
作者：
Eliseev IE;Ukrainskaya VM;Yudenko AN;Mikushina AD;Shmakov SV;Afremova AI;Ekimova VM;Vronskaia AA;Knyazev NA;Shamova OV
通讯作者：
Shamova OV
影响因子：
64.8
作者：
Jumper J;Evans R;Pritzel A;Green T;Figurnov M;Ronneberger O;Tunyasuvunakool K;Bates R;Žídek A;Potapenko A;Bridgland A;Meyer C;Kohl SAA;Ballard AJ;Cowie A;Romera-Paredes B;Nikolov S;Jain R;Adler J;Back T;Petersen S;Reiman D;Clancy E;Zielinski M;Steinegger M;Pacholska M;Berghammer T;Bodenstein S;Silver D;Vinyals O;Senior AW;Kavukcuoglu K;Kohli P;Hassabis D
通讯作者：
Hassabis D
影响因子：
28.1
作者：
Ji T;Li Y;Deng X;Rwei AY;Offen A;Hall S;Zhang W;Zhao C;Mehta M;Kohane DS
通讯作者：
Kohane DS
影响因子：
9.9
作者：
Barbalinardo, Marianna;Antosova, Andrea;Bystrenova, Eva
通讯作者：
Bystrenova, Eva