Supplementary Figure 8: Docking analysis and structural models of luciferase.

(a) Docking analysis, shown are the Rosetta energy score and the number of satisfied restraints for the models generated by the docking analysis, (b) Manual solution of the luciferase dimer, (c) Best (highest number of satisfied restraints) docking model of the luciferase dimer, (d) Dimer model of luciferase in the alternative conformation where luciferase is bound to the nucleotide analog DLSA (based on PDB ID 4G36) (e) Dimer model of luciferase in the alternative conformation where luciferase was stalled in a secondary conformation using a cysteine cross-linking approach (based on PDB ID 4G37).