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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 assignment of En-6.

BMRB ID: 15058

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Graph for 1H assignment of En-6

Lowest energy structure: S_01863

RMSD against lowest energy structure for all residues

StructureScore
S_01863.pdb5.5645
S_04896.pdb8.2040
S_06393.pdb5.2482
S_03508.pdb7.6965
S_05519.pdb8.2139
S_07473.pdb9.1097
S_06348.pdb5.5268
S_04328.pdb8.0356
S_03031.pdb7.6230
S_00381.pdb7.1068
Averaged Ca-rmsd7.233 +/- 1.337

RMSD against lowest energy structure for residues 15-34

StructureScore
S_01863.pdb2.1452
S_04896.pdb3.0648
S_06393.pdb2.3734
S_03508.pdb2.2996
S_05519.pdb2.6090
S_07473.pdb2.1347
S_06348.pdb2.4748
S_04328.pdb3.8954
S_03031.pdb2.1396
S_00381.pdb2.2999
Averaged Ca-rmsd2.544 +/- 0.552

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