BMRB

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 SAFB2_SAP.

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Graph for SAFB2_SAP

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_00982

RMSD against lowest energy structure for all residues

Structure Score
S_00982.pdb 2.7094
S_02905.pdb 2.3034
S_02193.pdb 3.9650
S_00655.pdb 3.5688
S_00194.pdb 4.2237
S_01371.pdb 3.4396
S_01669.pdb 5.3438
S_01945.pdb 4.0289
S_02266.pdb 4.4362
S_00693.pdb 2.3062
Averaged Ca-rmsd 3.632 +/- 0.978

RMSD against lowest energy structure for residues 10-53

Structure Score
S_00982.pdb 0.6444
S_02905.pdb 0.8153
S_02193.pdb 1.6957
S_00655.pdb 1.1844
S_00194.pdb 0.9366
S_01371.pdb 1.0731
S_01669.pdb 2.4698
S_01945.pdb 1.5580
S_02266.pdb 0.8857
S_00693.pdb 0.9796
Averaged Ca-rmsd 1.224 +/- 0.545

This entry was calculated with Rosetta version 3.8 and version 3.3 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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