Windex Algorithms


The Windex operator process the value of particular indices, such procedure corresponds to a modification of an index value for a given residue according to its environment or neighbors. After the application of this operator the indices are actualized and the rest of the procedures (groups and aggregation_operators) use the updated residue indices. In addition there are five operators:

AutoCorrelation

Where, L? are the index values of residues i and j and k is a topological distance cutoff

Gravitational

Where, L? are the index values of residues i and j and k is a topological distance cutoff and n is the number of residues in the chain

Kier Hall

Where, A is the number of segments, n? is the number of residues in a sub-segment, m is the maximum number of residue of a segment, Lj? is the index value of the residue j in the segment ?.

ElectroTopological State

where, Ii is the intrinsic state (index) of the ith residue and DIi is the field effect on the ith residue calculated as perturbation of the Ii of ith residue by all other residues in the protein, dij is the topological distance between the ith and the jth residue, and n is the number of residues.

Ivanciuc-Balaban

Where, the summation goes over all pairs of residues but only pairs of adjacent residues are accounted for by means of the elements aij of the adjacency matrix, and n is the number of residues. The exponent 2 dues to the use of the exponent -1/2. Here the factor (n-1) represents the numbers of virtual bonds among residues.