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 Lipid Free Mouse Apolipoprotein-AI(mAI216)NMR Backbone Assignment.

BMRB ID: 15091

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Graph for Lipid Free Mouse Apolipoprotein-AI(mAI216)NMR Backbone Assignment

It appears this run did not converge (based on the residues marked non-flexible). While the best predicted structure is displayed, the lack of convergence means that this structure is unlikely to resemble the actual structure. Furthermore, it is not necessarily representative of the ensemble of structures formed.

Lowest energy structure: S_05996

RMSD against lowest energy structure for all residues

Structure Score
S_05996.pdb 11.5205
S_04295.pdb 17.6446
S_09995.pdb 15.5032
S_08266.pdb 15.4999
S_03059.pdb 16.8398
S_06669.pdb 15.1133
S_06357.pdb 13.4310
S_06049.pdb 14.6661
S_09783.pdb 14.0720
S_07618.pdb 15.7733
Averaged Ca-rmsd 15.006 +/- 1.733

RMSD against lowest energy structure for residues 174-186

Structure Score
S_05996.pdb 2.7848
S_04295.pdb 3.0448
S_09995.pdb 2.8338
S_08266.pdb 2.8688
S_03059.pdb 2.8470
S_06669.pdb 2.7627
S_06357.pdb 3.2464
S_06049.pdb 2.9421
S_09783.pdb 3.2070
S_07618.pdb 2.9920
Averaged Ca-rmsd 2.953 +/- 0.169

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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