Table 6. Comparison of average RMSd values (in Å) calculated in reference to de novo NMR data collected in our lab refined using BSC1 (top value in the cell) or BSC0OL15 (bottom value in cell) force-fields for SEQ2 and SEQ3a.
BSC1 | BSC0 | BSC0OL1 | BSC0OL1+OL4 | BSC0OL15 | CG | C36 | C36pol | |
---|---|---|---|---|---|---|---|---|
SEQ2 | 1.69 | 2.10 | 1.69 | 1.80 | 1.72 | 3.36 | 3.41 | 7.39 |
1.68 | 1.93 | 1.63 | 1.70 | 1.71 | 3.27 | 3.42 | 7.23 | |
SEQ3 | 1.85 | 2.45 | 2.04 | 2.09 | 1.88 | 3.57 | 4.95 | 4.14 |
1.79 | 2.35 | 1.96 | 2.02 | 1.86 | 3.34 | 4.92 | 4.07 |
aNote that the capping base-pairs were not considered in RMSd calculations.