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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 SOLUTION STRUCTURE OF THE PABC DOMAIN FROM TRITICUM AEVESTIUM POLY(A)-BINDING PROTEIN.

BMRB ID: 15087

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Graph for SOLUTION STRUCTURE OF THE PABC DOMAIN FROM TRITICUM AEVESTIUM POLY(A)-BINDING PROTEIN

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_00606

RMSD against lowest energy structure for all residues

Structure Score
S_00606.pdb 2.6513
S_02098.pdb 1.3955
S_05522.pdb 1.0793
S_06535.pdb 3.1011
S_08500.pdb 1.4343
S_01860.pdb 1.1566
S_00802.pdb 2.1990
S_03643.pdb 1.4734
S_08674.pdb 1.2738
S_09302.pdb 1.2538
Averaged Ca-rmsd 1.702 +/- 0.699

RMSD against lowest energy structure for residues 5-85

Structure Score
S_00606.pdb 1.5295
S_02098.pdb 1.1837
S_05522.pdb 0.8845
S_06535.pdb 1.6522
S_08500.pdb 1.0369
S_01860.pdb 1.0027
S_00802.pdb 1.9868
S_03643.pdb 1.0475
S_08674.pdb 0.7998
S_09302.pdb 1.1480
Averaged Ca-rmsd 1.227 +/- 0.377

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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