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Results for submission Backbone and Side Chain 1H, 13C, 15N Chemical Shift Assignments for Sporulation Phosphotransferase F Mutant I90A.

BMRB ID: 15009

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Graph for Backbone and Side Chain 1H, 13C, 15N Chemical Shift Assignments for Sporulation Phosphotransferase F Mutant I90A

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_02645

RMSD against lowest energy structure for all residues

Structure Score
S_02645.pdb 6.0634
S_09103.pdb 4.1328
S_09042.pdb 2.8772
S_00001.pdb 3.4412
S_00512.pdb 6.8486
S_07157.pdb 6.3325
S_00823.pdb 3.4914
S_00302.pdb 2.9160
S_09055.pdb 5.5830
S_05269.pdb 3.4642
Averaged Ca-rmsd 4.515 +/- 1.527

RMSD against lowest energy structure for residues 1-123

Structure Score
S_02645.pdb 1.3466
S_09103.pdb 1.6282
S_09042.pdb 1.1566
S_00001.pdb 1.5214
S_00512.pdb 1.5535
S_07157.pdb 1.7315
S_00823.pdb 1.2012
S_00302.pdb 1.1605
S_09055.pdb 1.7234
S_05269.pdb 1.3722
Averaged Ca-rmsd 1.440 +/- 0.223

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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