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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 SOLUTION STRUCTURE.

BMRB ID: 15053

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Graph for HPRP-173-195 SOLUTION STRUCTURE

Lowest energy structure: S_04635

RMSD against lowest energy structure for all residues

StructureScore
S_04635.pdb1.0083
S_02739.pdb1.3170
S_05398.pdb0.7512
S_00190.pdb0.5634
S_01688.pdb0.9844
S_09144.pdb0.8559
S_03776.pdb0.7675
S_05916.pdb1.2719
S_01121.pdb0.9327
S_07782.pdb0.7968
Averaged Ca-rmsd0.925 +/- 0.234

RMSD against lowest energy structure for residues 1-23

StructureScore
S_04635.pdb0.6841
S_02739.pdb0.4197
S_05398.pdb0.5248
S_00190.pdb0.4933
S_01688.pdb0.9101
S_09144.pdb0.6100
S_03776.pdb0.5320
S_05916.pdb0.3283
S_01121.pdb0.7222
S_07782.pdb0.5529
Averaged Ca-rmsd0.578 +/- 0.164

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