Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Results for submission Full Length Leader Protease of Foot and Mouth Disease Virus C51A Mutant.

BMRB ID: 15277

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Graph for Full Length Leader Protease of Foot and Mouth Disease Virus C51A Mutant

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_02803

RMSD against lowest energy structure for all residues

Structure Score
S_02803.pdb 4.0350
S_09060.pdb 3.4303
S_02651.pdb 3.8362
S_01266.pdb 2.3448
S_04955.pdb 3.7700
S_04774.pdb 2.5553
S_03927.pdb 2.7483
S_01834.pdb 2.6532
S_06237.pdb 2.9406
S_09385.pdb 2.6643
Averaged Ca-rmsd 3.098 +/- 0.613

RMSD against lowest energy structure for residues 1-157

Structure Score
S_02803.pdb 1.1621
S_09060.pdb 0.9422
S_02651.pdb 1.2427
S_01266.pdb 0.8690
S_04955.pdb 0.7555
S_04774.pdb 0.9228
S_03927.pdb 1.0976
S_01834.pdb 0.8148
S_06237.pdb 0.6861
S_09385.pdb 0.8556
Averaged Ca-rmsd 0.935 +/- 0.180

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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