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Interestingly, this is consistent with predictions resulting from profiling the intrinsic disorder propensity of PTP-SL by two distinct methods (FIG. 8A, B), based either on scores derived from missing coordinates in high resolution protein crystals [23], or pairwise energy estimates from the amino acid composition [24].
First, we calculated the arithmetic average over the raw output of four disorder prediction methods: DISOPRED2 (Support Vector Machine based prediction of missing coordinates in X-ray structures), IUPred (prediction of unstructured regions based on pairwise statistical potential), NORSnet (prediction of unstructured loops) and Ucon (specific contact based prediction method).
IUP residues are verified in PDB as missing coordinates in X-ray crystallography data.
In addition, we found many examples in which the disorder indicated by missing coordinates in X-ray crystal structures had been confirmed by other methods.
We removed domains with: discontinuous sequences, missing coordinates in their three-dimensional structures, NMR and low-resolution structures (>2.5 Å), and the short ones (<50 residues).
The disorder types are defined as "loops/coils" (secondary structures that can serve as conditions for structural disorder), "hot loops" (a subset of loops/coils with high mobility and higher disorder propensity) and "rem465" (rentries5 entrins in PDB indicating missing coordinates in X-Ray structure).
Similar(51)
In some extreme cases, this heterogeneity in individual BAC quantity may lead to weak signal intensity for positive probes resulting in missing coordinates.
The addresses were then linked to a register of all official addresses in Denmark, resulting in geographical coordinates for 45,404 of the residential addresses, and missing coordinates for the last 512 (1%) addresses.
For cases with missing coordinates, the structures were rebuilt using CORINA [58].
2. Run MODELLER to generate 500 model candidates for residues with missing coordinates (missing loop region).
Part of the future work will be better handling of residue modification and missing coordinates.
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