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 Solution structure of Blo t 5.

BMRB ID: 15345

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Graph for Solution structure of Blo t 5

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_07958

RMSD against lowest energy structure for all residues

Structure Score
S_07958.pdb 3.6768
S_04082.pdb 2.9900
S_03108.pdb 5.6703
S_04091.pdb 2.0768
S_05463.pdb 1.6623
S_03585.pdb 2.6411
S_05541.pdb 1.6064
S_06857.pdb 1.7783
S_07462.pdb 4.4692
S_09063.pdb 2.9281
Averaged Ca-rmsd 2.950 +/- 1.331

RMSD against lowest energy structure for residues 9-112

Structure Score
S_07958.pdb 1.4596
S_04082.pdb 1.3226
S_03108.pdb 2.8818
S_04091.pdb 1.1069
S_05463.pdb 0.8201
S_03585.pdb 1.3859
S_05541.pdb 0.7105
S_06857.pdb 1.0258
S_07462.pdb 0.7133
S_09063.pdb 0.9502
Averaged Ca-rmsd 1.238 +/- 0.637

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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