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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 1H, 13C, and 15N Chemical Shift Assignments for NAB2 N-terminal domain.

BMRB ID: 15263

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Graph for 1H, 13C, and 15N Chemical Shift Assignments for NAB2 N-terminal domain

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_07986

RMSD against lowest energy structure for all residues

Structure Score
S_07986.pdb 1.2310
S_03604.pdb 1.8374
S_00879.pdb 1.0631
S_07187.pdb 1.3290
S_03390.pdb 1.2640
S_01692.pdb 2.2117
S_09348.pdb 2.5007
S_04678.pdb 4.1675
S_06967.pdb 1.0827
S_00981.pdb 1.1693
Averaged Ca-rmsd 1.786 +/- 0.975

RMSD against lowest energy structure for residues 2-102

Structure Score
S_07986.pdb 1.0431
S_03604.pdb 0.7269
S_00879.pdb 0.8532
S_07187.pdb 0.8868
S_03390.pdb 0.9312
S_01692.pdb 1.7691
S_09348.pdb 2.2605
S_04678.pdb 1.8906
S_06967.pdb 0.6979
S_00981.pdb 0.6967
Averaged Ca-rmsd 1.176 +/- 0.574

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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