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Figure 6
Likelihood-guided occupancy refinement for PDB entry 2hh6 solved by molecular replacement with CASP7 model T0283TS020_2. (a) The structure 2hh6 (reference copy, ribbon representation, colour ramp from blue to red from the N-terminus to the C-terminus), the N-terminal helix of a symmetry-related copy of 2hh6 (worm representation, colour ramp as for the reference copy) and the result of likelihood-guided occupancy refinement of the placed model showing occupancies per residue ranging from 1 (black) to 0 (purple). The regions where 2hh6 and the model diverge are the regions where the refined occupancies are close to 0 (the model is shown in purple), and conversely where they coincide the refined occupancies are close to 1 (the model is shown in black). The window size for occupancy refinement was five residues, determined by the optimal-target-ΔeLLG. This figure was produced with CCP4mg (McNicholas et al., 2011BB21). (b) The difference between the LLGI for the placed model T0283TS020_2 before and after removing five residues centred on each residue along the chain (blue line). The RSCC per residue is shown between the placed model T0283TS020_2 and the `true' map (see text; orange line) and between the placed model T0283TS020_2 and the `model' map (see text; dotted green line). The RSCC of the model to the `true' map is better predicted by the change in LLGI (orange line versus blue line) than by the RSCC to the `model' map (orange line versus dotted green line).

Journal logoSTRUCTURAL
ISSN: 2059-7983
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