Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Results for submission Solution structure of CM15 in DPC micelles.

BMRB ID: 15099

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Graph for Solution structure of CM15 in DPC micelles

This run appears to have converged (based on the residues marked non-flexible). That means that the results may be a meaningful prediction of the real structure. Please validate the structure against your experimental data.

Lowest energy structure: S_02065

RMSD against lowest energy structure for all residues

Structure Score
S_02065.pdb 2.8332
S_05369.pdb 0.5469
S_04797.pdb 0.5281
S_06613.pdb 0.4970
S_08373.pdb 0.5945
S_09202.pdb 0.5402
S_06379.pdb 0.5331
S_08167.pdb 0.6192
S_04656.pdb 1.4383
S_08707.pdb 0.6109
Averaged Ca-rmsd 0.874 +/- 0.743

RMSD against lowest energy structure for residues 1-15

Structure Score
S_02065.pdb 2.8451
S_05369.pdb 0.5256
S_04797.pdb 0.5444
S_06613.pdb 0.5094
S_08373.pdb 0.5885
S_09202.pdb 0.5427
S_06379.pdb 0.5370
S_08167.pdb 0.6168
S_04656.pdb 1.4686
S_08707.pdb 0.6224
Averaged Ca-rmsd 0.880 +/- 0.748

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

The flexible tails of this protein were automatically trimmed by the server. This means that the results you see might not have the same residue sequence as the data you submitted.

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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

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