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PCA scores plot for CDK2. Monomeric chains are coloured blue and protein bound chains red. (a) backbone conformation using curvature and torsion. The variance explained by PC1 is 45% and 51% by PC1 and PC2 combined. (b) side-chain conformation using the position of a terminal atom in Cartesian coordinates after transformation of the residue to a reference origin (see Methods). PC1 explains 24% and PC1 plus PC2 explains 35% of the variance. Labels show the PDB codes of outliers.
