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 SOLUTION STRUCTURE.

BMRB ID: 15053

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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_04635

RMSD against lowest energy structure for all residues

Structure Score
S_04635.pdb 1.0083
S_02739.pdb 1.3170
S_05398.pdb 0.7512
S_00190.pdb 0.5634
S_01688.pdb 0.9844
S_09144.pdb 0.8559
S_03776.pdb 0.7675
S_05916.pdb 1.2719
S_01121.pdb 0.9327
S_07782.pdb 0.7968
Averaged Ca-rmsd 0.925 +/- 0.234

RMSD against lowest energy structure for residues 1-23

Structure Score
S_04635.pdb 0.6841
S_02739.pdb 0.4197
S_05398.pdb 0.5248
S_00190.pdb 0.4933
S_01688.pdb 0.9101
S_09144.pdb 0.6100
S_03776.pdb 0.5320
S_05916.pdb 0.3283
S_01121.pdb 0.7222
S_07782.pdb 0.5529
Averaged Ca-rmsd 0.578 +/- 0.164

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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