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A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Results for submission Backbone and Side Chain 1H, 13C, 15N Chemical Shift Assignments for Sporulation Phosphotransferase F Mutant I90A.

BMRB ID: 15009

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Graph for Backbone and Side Chain 1H, 13C, 15N Chemical Shift Assignments for Sporulation Phosphotransferase F Mutant I90A

Lowest energy structure: S_02645

RMSD against lowest energy structure for all residues

StructureScore
S_02645.pdb6.0634
S_09103.pdb4.1328
S_09042.pdb2.8772
S_00001.pdb3.4412
S_00512.pdb6.8486
S_07157.pdb6.3325
S_00823.pdb3.4914
S_00302.pdb2.9160
S_09055.pdb5.5830
S_05269.pdb3.4642
Averaged Ca-rmsd4.515 +/- 1.527

RMSD against lowest energy structure for residues 1-123

StructureScore
S_02645.pdb1.3466
S_09103.pdb1.6282
S_09042.pdb1.1566
S_00001.pdb1.5214
S_00512.pdb1.5535
S_07157.pdb1.7315
S_00823.pdb1.2012
S_00302.pdb1.1605
S_09055.pdb1.7234
S_05269.pdb1.3722
Averaged Ca-rmsd1.440 +/- 0.223

This entry was calculated with Rosetta version 3.5 and version 3.2 of the CS-Rosetta Toolbox.

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Citation information:

"Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples" Oliver F. Lange; Paolo Rossi; Nikolaos G. Sgourakis; Yifan Song; Hsiau-Wei Lee; James M. Aramini; Asli Ertekin; Rong Xiao; Thomas B. Acton; Gaetano T. Montelione; David Baker; Proceedings of the National Academy of Sciences 109(27) 10873-10878 (2012) doi: 10.1073/pnas.1203013109

"De novo structure generation using chemical shifts for proteins with high-sequence identity but different folds," Yang Shen; Philip N. Bryan; Yanan He; John Orban; David Baker; Ad Bax; Protein Science 19, 349-356 (2010) doi: 10.1002/pro.303

"De novo protein structure generation from incomplete chemical shift assignments," Yang Shen; Robert Vernon; David Baker; Ad Bax; J. Biomol. NMR 43, 63-78 (2009) doi: 10.1007/s10858-008-9288-5

"Consistent blind protein structure generation from NMR chemical shift data," Yang Shen; Oliver Lange; Frank Delaglio; Paolo Rossi; James M. Aramini; Gaohua Liu; Alexander Eletsky; Yibing Wu; Kiran K. Singarapu; Alexander Lemak; Alexandr Ignatchenko; Cheryl H. Arrowsmith; Thomas Szyperski; Gaetano T. Montelione; David Baker; Ad Bax; Proceedings of the National Academy of Sciences 105(12) 4685-4690 (2008) doi: 10.1073/pnas.0800256105