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SuperPose
SuperPose is a freely available web server designed to perform both pairwise and multiple protein structure superpositions.〔 The “Structural superposition” term refers to the rotations and translations performed on one structure to make it match or align with another structure or structures. Structural superposition can be quantified either in terms of similarity or difference measures. The optimal superposition is the one in which the similarity measure is maximized (the former case) or the difference measure (the later case) is minimized. The “SuperPose” web server uses “RMSD” or Root-Mean-Square Deviation as a difference measure to find the optimal pairwise or multiple protein structure superposition. After an initial sequence and secondary structure (in case of low sequence identity) alignment, SuperPose generates a Difference Distance (DD) matrix from the equivalent C-alpha atoms of two molecules. The sequence/structure alignment and DD matrix analysis information is then fed into a modified quaternion eigenvalue algorithm to rapidly perform the structural superposition and calculate the RMSD between aligned regions of two macromolecules. ==Input/Output== The SuperPose web server requires PDB formatted files (of two or more protein structures to be superimposed) or their PDB accession numbers as input. SuperPose can handle both X-ray and NMR structures. NMR structures often consist of 20-30 near-identical structures that need to be superimposed on each other to create a multistructure “blurogram”. For a superposition of two or more structures, SuperPose generates sequence alignments, structure alignments, PDB (Protein Data Bank) coordinates and RMSD statistics, as well as difference distance plots and images (both static and interactive) of the superimposed molecules.〔 All superimposed structure images can be reformatted as wireframe or ribbon, colour or greyscale, stereo or mono using the Output Options menu. The background colour of the images can also be toggled from black to white.
抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)』 ■ウィキペディアで「SuperPose」の詳細全文を読む
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