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 SeV Ntail(443-501).

BMRB ID: 15123

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Graph for SeV Ntail(443-501)

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_06412

RMSD against lowest energy structure for all residues

Structure Score
S_06412.pdb 7.7208
S_04988.pdb 7.6076
S_00524.pdb 6.9801
S_04345.pdb 7.9446
S_09540.pdb 9.0319
S_02442.pdb 6.8623
S_07668.pdb 8.1062
S_08775.pdb 6.9829
S_01562.pdb 7.0997
S_01595.pdb 6.9683
Averaged Ca-rmsd 7.530 +/- 0.695

RMSD against lowest energy structure for residues 30-34

Structure Score
S_06412.pdb 2.1043
S_04988.pdb 2.0071
S_00524.pdb 2.7571
S_04345.pdb 2.0756
S_09540.pdb 2.3100
S_02442.pdb 2.0828
S_07668.pdb 2.3254
S_08775.pdb 2.4896
S_01562.pdb 2.3470
S_01595.pdb 2.4091
Averaged Ca-rmsd 2.291 +/- 0.231

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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