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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 1H, 15N, and 13C chemical shift assignments for CaBP1.

BMRB ID: 15197

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Graph for 1H, 15N, and 13C chemical shift assignments for CaBP1

Lowest energy structure: S_0004_232_0001

RMSD against lowest energy structure for all residues

StructureScore
S_0004_232_0001.pdb8.2797
S_0012_169_0001.pdb8.5287
S_0019_77_0001.pdb7.7374
S_0010_381_0001.pdb10.6272
S_0016_314_0001.pdb9.3387
S_0016_378_0001.pdb12.3272
S_0005_487_0001.pdb9.3922
S_0012_455_0001.pdb9.9930
S_0016_278_0001.pdb9.1762
S_0018_277_0001.pdb8.6934
Averaged Ca-rmsd9.409 +/- 1.323

RMSD against lowest energy structure for residues 88-94, 100-115, 117-117, 119-119

StructureScore
S_0004_232_0001.pdb3.0509
S_0012_169_0001.pdb3.4715
S_0019_77_0001.pdb3.0749
S_0010_381_0001.pdb2.9258
S_0016_314_0001.pdb3.6450
S_0016_378_0001.pdb3.4842
S_0005_487_0001.pdb3.8658
S_0012_455_0001.pdb3.3138
S_0016_278_0001.pdb3.4693
S_0018_277_0001.pdb3.6224
Averaged Ca-rmsd3.392 +/- 0.299

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