Domains

DynDom Description

Program

  Determination of Residues Involved in Interdomain Bending

If one domain is fixed in space with the other rotating, then one will see a rotational transition in the connecting region between the two domains. One can define the residues involved in the interdomain bending to be those at the interdomain boundaries, as found by the clustering algorithm, plus those neighbouring residues whose rotations are outside the main distribution. If the clusters are treated as 3-dimensional normal distributions then bending residues are those that lie outside the ellipsoids of constant probability density that correspond to a significance value P of 0.2.

  Closure and Twist Motion

Axes can be classified into two extreme types: those parallel to the line joining the centres of mass of a pair of domains, and those perpendicular to this line. The former are called twist axes, the latter, closure axes. Any axis can be decomposed into components parallel or perpendicular to this line and a percentage measure of the degree of closure motion can be defined from the square of the projection on the closure axis.

Domains


(Table of Contents)

Program

For further details email : sjh@cmp.uea.ac.uk

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