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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 ta0956.

BMRB ID: 15039

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Graph for solution structure of ta0956

Lowest energy structure: S_00809

RMSD against lowest energy structure for all residues

StructureScore
S_00809.pdb2.9500
S_02389.pdb2.6866
S_03678.pdb2.8886
S_01449.pdb1.2940
S_04539.pdb2.0168
S_08161.pdb1.9746
S_05808.pdb1.6217
S_03710.pdb3.0098
S_03786.pdb1.9002
S_04251.pdb3.1208
Averaged Ca-rmsd2.346 +/- 0.658

RMSD against lowest energy structure for residues 1-54, 57-110

StructureScore
S_00809.pdb2.8226
S_02389.pdb2.6405
S_03678.pdb2.7345
S_01449.pdb1.2482
S_04539.pdb1.9986
S_08161.pdb1.9086
S_05808.pdb1.5841
S_03710.pdb2.9363
S_03786.pdb1.9064
S_04251.pdb3.0354
Averaged Ca-rmsd2.282 +/- 0.627

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