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A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Results for submission Proton chemical shifts of mytilin.

BMRB ID: 15140

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Graph for Proton chemical shifts of mytilin

Lowest energy structure: S_09707

RMSD against lowest energy structure for all residues

StructureScore
S_09707.pdb4.1860
S_00476.pdb2.7591
S_07107.pdb2.4855
S_03541.pdb1.5672
S_00153.pdb1.6610
S_02350.pdb2.2459
S_00226.pdb1.6340
S_00383.pdb2.0641
S_08052.pdb3.4125
S_01371.pdb3.4137
Averaged Ca-rmsd2.543 +/- 0.891

RMSD against lowest energy structure for residues 1-34

StructureScore
S_09707.pdb3.9126
S_00476.pdb2.7900
S_07107.pdb2.1824
S_03541.pdb1.5646
S_00153.pdb1.5825
S_02350.pdb2.2200
S_00226.pdb1.5735
S_00383.pdb1.8965
S_08052.pdb3.2056
S_01371.pdb3.4139
Averaged Ca-rmsd2.434 +/- 0.849

This entry was calculated with Rosetta version 3.5 and version 3.2 of the CS-Rosetta Toolbox.

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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