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Results for submission Chemical shift assignment of TC-1.

BMRB ID: 15141

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Graph for Chemical shift assignment of TC-1

It appears this run did not converge (based on the residues marked non-flexible). While the best predicted structure is displayed, the lack of convergence means that this structure is unlikely to resemble the actual structure. Furthermore, it is not necessarily representative of the ensemble of structures formed.

Lowest energy structure: S_0013_260_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0013_260_0001.pdb 3.9215
S_0021_270_0001.pdb 4.9724
S_0012_350_0001.pdb 6.2185
S_0003_272_0001.pdb 3.2551
S_0021_139_0001.pdb 4.8573
S_0007_179_0001.pdb 3.6107
S_0011_279_0001.pdb 7.1149
S_0017_311_0001.pdb 3.9660
S_0004_340_0001.pdb 7.1087
S_0002_4_0001.pdb 6.5938
Averaged Ca-rmsd 5.162 +/- 1.487

RMSD against lowest energy structure for residues 27-40

Structure Score
S_0013_260_0001.pdb 3.1014
S_0021_270_0001.pdb 2.4549
S_0012_350_0001.pdb 2.4105
S_0003_272_0001.pdb 3.1058
S_0021_139_0001.pdb 2.4637
S_0007_179_0001.pdb 2.6797
S_0011_279_0001.pdb 2.5390
S_0017_311_0001.pdb 2.5076
S_0004_340_0001.pdb 2.5385
S_0002_4_0001.pdb 2.8902
Averaged Ca-rmsd 2.669 +/- 0.267

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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