Fig 1.
Results of REDCRAFT structure calculation (in red) compared to X-ray crystal structures (in blue) and, where applicable, traditional NMR structures (in green) for A) GB1, B) GB3, C) Rubredoxin, D) ChR145, and E) SR10.
Table 1.
Results for REDCRAFT’s structure calculation using experimental RDCs.
Fig 2.
Results for PF2048.1 (in red) A) before energy minimization and B) after energy minimization are shown superimposed to the traditional NOE structure generated without RDCs (in blue) and with RDCs (in yellow).
Table 2.
Results from structure calculation of PF2048.1 using 228 RDCs and secondary structure restraints are shown.
Fig 3.
Results of REDCRAFT structure calculation (in red) compared to the reference structure (in green) A) ChR145, B) LpG1496 and C) Enzyme 1 from E. coli.
Table 3.
Structure determinations of larger proteins by REDCRAFT using synthetic RDCs.
Fig 4.
RDC and NOE fitness of 5000 decoy structures generated randomly from a known structure versus their BB-RMSD to the actual structure.
Table 4.
List of protein targets with their respective X-ray and NMR reference structures, RDCs used and the average BB-RMSD between the NMR and X-ray structures.
Table 5.
List of protein targets used in the synthetic study of large proteins.