Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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CS-Rosetta Results Access

Results for submission HPRP-173-195-D178N SOLUTION STRUCTURE.

BMRB ID: 15052

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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_06111

RMSD against lowest energy structure for all residues

Structure Score
S_06111.pdb 3.0847
S_08482.pdb 0.4614
S_09941.pdb 0.4738
S_05258.pdb 0.7664
S_09044.pdb 0.8415
S_07770.pdb 0.4719
S_09881.pdb 0.5298
S_02395.pdb 0.5268
S_05590.pdb 0.4850
S_02515.pdb 0.4535
Averaged Ca-rmsd 0.809 +/- 0.811

RMSD against lowest energy structure for residues 1-23

Structure Score
S_06111.pdb 2.6156
S_08482.pdb 0.3991
S_09941.pdb 0.3710
S_05258.pdb 0.6964
S_09044.pdb 0.8009
S_07770.pdb 0.3771
S_09881.pdb 0.5024
S_02395.pdb 0.4988
S_05590.pdb 0.3759
S_02515.pdb 0.3777
Averaged Ca-rmsd 0.701 +/- 0.689

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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