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A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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CS-Rosetta Results Access

Results for submission HPRP180-195 STRUCTURE.

BMRB ID: 15054

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Graph for HPRP180-195 STRUCTURE

Lowest energy structure: S_07018

RMSD against lowest energy structure for all residues

StructureScore
S_07018.pdb1.6764
S_01534.pdb0.1780
S_08954.pdb0.2017
S_01993.pdb0.2073
S_01175.pdb0.2091
S_02434.pdb0.2029
S_04272.pdb0.2099
S_07004.pdb0.2284
S_05989.pdb0.1773
S_08797.pdb0.1777
Averaged Ca-rmsd0.347 +/- 0.467

RMSD against lowest energy structure for residues 1-16

StructureScore
S_07018.pdb0.8374
S_01534.pdb0.0863
S_08954.pdb0.1308
S_01993.pdb0.1331
S_01175.pdb0.1260
S_02434.pdb0.1317
S_04272.pdb0.1250
S_07004.pdb0.1458
S_05989.pdb0.0513
S_08797.pdb0.0530
Averaged Ca-rmsd0.182 +/- 0.233

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