Biological Magnetic Resonance Data Bank

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 a novel lectin-like peptide from Odorrana grahami.

BMRB ID: 15302

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Graph for a novel lectin-like peptide from Odorrana grahami

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_05719

RMSD against lowest energy structure for all residues

Structure Score
S_05719.pdb 2.3845
S_06889.pdb 1.1006
S_04181.pdb 4.7823
S_08620.pdb 1.1127
S_02256.pdb 1.1235
S_02569.pdb 1.1943
S_06528.pdb 1.1653
S_09189.pdb 1.2515
S_03248.pdb 1.8134
S_05985.pdb 1.0484
Averaged Ca-rmsd 1.698 +/- 1.164

RMSD against lowest energy structure for residues 1-17

Structure Score
S_05719.pdb 2.4101
S_06889.pdb 1.0966
S_04181.pdb 4.3335
S_08620.pdb 1.1180
S_02256.pdb 1.1293
S_02569.pdb 1.2082
S_06528.pdb 1.1683
S_09189.pdb 1.2182
S_03248.pdb 1.7928
S_05985.pdb 0.9757
Averaged Ca-rmsd 1.645 +/- 1.040

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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