Figure 4
The correct residue Lys107 (chain L) of PDB entry 1f8t
(the rotamer on the left) is shown as a blue map calculated using (1) with w = 1. The same residue side chain switched to an incorrect rotamer (right) is shown as a black map calculated using (1) with weights from (3) with δ = 1.5. Both maps are contoured at 1σ. Clearly, the black map is model-biased as it follows the wrong side-chain orientation and otherwise coincides with the correct (blue) map. |