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 PV-3C.

BMRB ID: 15222

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Graph for PV-3C

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_0005_576_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0005_576_0001.pdb 1.0867
S_0008_242_0001.pdb 0.9662
S_0009_308_0001.pdb 0.9066
S_0013_227_0001.pdb 1.1899
S_0013_337_0001.pdb 1.2582
S_0006_440_0001.pdb 1.2339
S_0014_562_0001.pdb 1.1219
S_0001_234_0001.pdb 1.1604
S_0008_516_0001.pdb 1.2573
S_0010_348_0001.pdb 1.4407
Averaged Ca-rmsd 1.162 +/- 0.154

RMSD against lowest energy structure for residues 1-175

Structure Score
S_0005_576_0001.pdb 0.9926
S_0008_242_0001.pdb 0.6198
S_0009_308_0001.pdb 0.7293
S_0013_227_0001.pdb 0.9231
S_0013_337_0001.pdb 1.1748
S_0006_440_0001.pdb 1.0553
S_0014_562_0001.pdb 1.0356
S_0001_234_0001.pdb 0.9979
S_0008_516_0001.pdb 1.0848
S_0010_348_0001.pdb 0.8303
Averaged Ca-rmsd 0.944 +/- 0.171

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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