TALOS-N results from PACSY-ALIGN

PACSY-ALIGN runs TALOS-N for your inputs to find ordered regions to eliminate not likely regions to see NOEs in the NOESY assignment generation. RCI S2 values provided by TALOS-N is used, and residues with S2 value below 0.7 will not be considered to calculate close contact with other residues. Other TALOS-N results are provided as well, and also PACSY-ALIGN generates angle constraints from TALOS-N results in PONDEROSA/CYANA and XPLOR formats.

* Files in the TALOS-N result directory

stable_rci.tab

Text file format for stable structural regions. 'S' indicates stable residue. The sequence index matches with text index (starts from zero).

talos.aco

Angle constraints in CYANA/PONDEROSA format.

talos.tbl

Angle constraints in Xplor format.

talos_in.tab

Talos input file generated from your NMR-STAR 3.1 file.

talos_out.tls

Talos output for dihedral angles.

talos_outABP.tab

Artificial neural network predicted 2D Phi/Psi distribution map

talos_outAdjCS.tab

Secondary chemical shift table.

talos_outAll.tab

Comprehensive format including everything TALOS-N offers.

talos_outChi1.tab

Chi1 conformation prediction table.

talos_outS2.tab

Order parameter (S2) from random coil index method.

For the detailed information, visit here.