Analysis Software

TALOS+

TALOS+ is, as the original program TALOS, a program which predicts torsion angles using information derived from chemical shift, amino acid type, and the area of the Ramachandran map where the residue is likely to reside in. This information is compared to information stored in a large database; currently 200 proteins. The input data for this webserver are the 13CA, 13CB, 13C', 15N, 1HA and 1HN NMR backbone chemical shifts of the query protein, either in TALOS or in BMRB format. Go to the service >>

AnisoFIT

Fitting of Pseudocontact Shifts and Residual Dipolar couplings - The program allows users to fit pseudocontact shift and/or residual dipolar couplings measured for a protein against its structure. The calculation exploits the SIMPLEX minimization algorithm. As extensively documented in the literature, this procedure allows the determination of the magnetic susceptibility tensor anisotropy (for pseudocontact shifts as well as residual dipolar couplings induced by the presence of a paramagnetic metal center) or of the anisotropy of the diffusion tensor (for residual dipolar couplings induced by the presence of orienting media in the protein solution). Go to the service >>

MaxOcc

Maximum Occurrence (MaxOcc) refers to a method for making rigorous numerical assessments about the maximum percent of time that a conformer of a flexible macromolecule can exist and still be compatible with the experimental data. Go to the service >>

iCing

iCing is the webinterface to the NMR structure and data validation software suite CING (Common Interface for NMR structure Generation). Go to the service >>