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Results for submission 1H, 13C and 15N resonance assignment of 6aJL2(R25G), a highly fibrillogenic lamdaVI light chain variable domain..

BMRB ID: 15276

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Graph for 1H, 13C and 15N resonance assignment of 6aJL2(R25G), a highly fibrillogenic lamdaVI light chain variable domain.

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_0009_206_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0009_206_0001.pdb 1.1426
S_0014_334_0001.pdb 1.0055
S_0009_135_0001.pdb 1.1177
S_0017_33_0001.pdb 1.3059
S_0001_160_0001.pdb 1.3444
S_0016_209_0001.pdb 0.9032
S_0001_22_0001.pdb 1.1150
S_0020_337_0001.pdb 1.2576
S_0024_327_0001.pdb 0.9222
S_0025_281_0001.pdb 1.2770
Averaged Ca-rmsd 1.139 +/- 0.158

RMSD against lowest energy structure for residues 1-111

Structure Score
S_0009_206_0001.pdb 1.1467
S_0014_334_0001.pdb 1.0095
S_0009_135_0001.pdb 1.1217
S_0017_33_0001.pdb 1.3116
S_0001_160_0001.pdb 1.3500
S_0016_209_0001.pdb 0.9030
S_0001_22_0001.pdb 1.1174
S_0020_337_0001.pdb 1.2577
S_0024_327_0001.pdb 0.9208
S_0025_281_0001.pdb 1.2826
Averaged Ca-rmsd 1.142 +/- 0.160

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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