Figure 1
Pie charts showing the results from testing our SAD data set (406 structures). The pie chart on the left shows the results from the first pass where models from ColabFold and AlphaFold were run in MR with minimal modification (pLDDT ≥ 70 and conversion of pLDDT to predicted B factor); 356 of the 406 structures (87.7%) were solved in this first pass. The pie chart on the right shows the results from the second pass where various MR strategies were used on 50 cases that we had been unable to solve in the first pass. A further 38 cases were solved, bringing the total to 394/406 (97%). |