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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

This run appears to have converged (based on the residues marked non-flexible). That means that the results may be a meaningful prediction of the real structure. Please validate the structure against your experimental data.

Lowest energy structure: S_07018

RMSD against lowest energy structure for all residues

Structure Score
S_07018.pdb 1.6764
S_01534.pdb 0.1780
S_08954.pdb 0.2017
S_01993.pdb 0.2073
S_01175.pdb 0.2091
S_02434.pdb 0.2029
S_04272.pdb 0.2099
S_07004.pdb 0.2284
S_05989.pdb 0.1773
S_08797.pdb 0.1777
Averaged Ca-rmsd 0.347 +/- 0.467

RMSD against lowest energy structure for residues 1-16

Structure Score
S_07018.pdb 0.8374
S_01534.pdb 0.0863
S_08954.pdb 0.1308
S_01993.pdb 0.1331
S_01175.pdb 0.1260
S_02434.pdb 0.1317
S_04272.pdb 0.1250
S_07004.pdb 0.1458
S_05989.pdb 0.0513
S_08797.pdb 0.0530
Averaged Ca-rmsd 0.182 +/- 0.233

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

The flexible tails of this protein were automatically trimmed by the server. This means that the results you see might not have the same residue sequence as the data you submitted.

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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

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