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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 HPRP-173-195-D178N SOLUTION STRUCTURE.

BMRB ID: 15052

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Graph for HPRP-173-195-D178N SOLUTION STRUCTURE

Lowest energy structure: S_06111

RMSD against lowest energy structure for all residues

StructureScore
S_06111.pdb3.0847
S_08482.pdb0.4614
S_09941.pdb0.4738
S_05258.pdb0.7664
S_09044.pdb0.8415
S_07770.pdb0.4719
S_09881.pdb0.5298
S_02395.pdb0.5268
S_05590.pdb0.4850
S_02515.pdb0.4535
Averaged Ca-rmsd0.809 +/- 0.811

RMSD against lowest energy structure for residues 1-23

StructureScore
S_06111.pdb2.6156
S_08482.pdb0.3991
S_09941.pdb0.3710
S_05258.pdb0.6964
S_09044.pdb0.8009
S_07770.pdb0.3771
S_09881.pdb0.5024
S_02395.pdb0.4988
S_05590.pdb0.3759
S_02515.pdb0.3777
Averaged Ca-rmsd0.701 +/- 0.689

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