MolProbity: all-atom contacts and structure validation for proteins and nucleic acids

被引：3240

作者：

Davis, Ian W. ^{[1
]}

Leaver-Fay, Andrew ^{[2
]}

Chen, Vincent B. ^{[1
]}

Block, Jeremy N. ^{[1
]}

Kapral, Gary J. ^{[1
]}

Wang, Xueyi ^{[2
]}

Murray, Laura W. ^{[1
]}

Arendall, W. Bryan, III ^{[1
]}

Snoeyink, Jack ^{[2
]}

Richardson, Jane S. ^{[1
]}

Richardson, David C. ^{[1
]}

机构：

[1] Duke Univ, Dept Biochem, Durham, NC 27710 USA

[2] Univ N Carolina, Dept Comp Sci, Chapel Hill, NC USA

来源：

NUCLEIC ACIDS RESEARCH | 2007年 / 35卷

关键词：

D O I：

10.1093/nar/gkm216

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

MolProbity is a general-purpose web server offering quality validation for 3D structures of proteins, nucleic acids and complexes. It provides detailed all-atom contact analysis of any steric problems within the molecules as well as updated dihedralangle diagnostics, and it can calculate and display the H-bond and van der Waals contacts in the interfaces between components. An integral step in the process is the addition and full optimization of all hydrogen atoms, both polar and nonpolar. New analysis functions have been added for RNA, for interfaces, and for NMR ensembles. Additionally, both the web site and major component programs have been rewritten to improve speed, convenience, clarity and integration with other resources. MolProbity results are reported in multiple forms: as overall numeric scores, as lists or charts of local problems, as downloadable PDB and graphics files, and most notably as informative, manipulable 3D kinemage graphics shown online in the KiNG viewer. This service is available free to all users at http://molprobity.biochem.duke.edu.

引用

页码：W375 / W383

页数：9

共 39 条

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