Resonance Assignment/CARA

Loading a New Template

To start a new structure determination project in CARA you need to load a template. A template is a CARA repository without project that contains definitions for residue types, spectrum type and LUA scripts. You can either load the default template from the templates page of the official CARA web-site, or extract a template from an existing CARA repository.

For detailed instructions see: http://www.cara.ethz.ch/Wiki/ImportingTemplate

CARA Template for GFT spectra BoR54_template.cara: Latest GFT template for BoR54 project

Key modifications are:

• Added linker residue definitions to facilitate treatment of homodimers
• Added definitions of (4,3)D HNNCABCA, (4,3)D CABCA(CO)NHN and (4,3)D HABCAB(CO)NHN
• Added attributes for GFT spectra - used by Lua scripts
• LUA scripts
  • CreateConsensusPeaklist - consensus peaklist from two loaded peak lists
  • CreateSequentialSpinLinks
  • ExportSeqToAutostructure - prepare sequence in Autostructure format
  • ExportToAutoAssign - generate all files for AutoAssign input
  • ExportToCSI - generate CSI input file
  • GFT_aroHCCH_calc - small applet too calculate aromatic side-chain spin in (4,3)D HCCH-COSY
  • GFT_HCCH_calc - small applet too calculate aliphatic side-chain spin in (4,3)D HCCH-COSY
  • GFT_CABCA2CACB - calculate CA and CB from sum and difference shifts
  • ImportCyana2xPeakList - import peaklist in CYANA 2.x format (with multiple assignments)
  • ImportSparkyPeakList - import peaklist in Sparky format (from AutoStructure)
  • ImportFromAutoAssign - read assignments produced by AutoAssign
  • etc...

1. Introduction
2. Spin System Identification in 2D 15N-HSQC and 3D HNNCO
3. Backbone Resonance Assignment
4. Assignment of HA and HB Resonances with (4,3)D GFT HABCAB(CO)NHN
5. Side Chain Assignment
   1. Aliphatic side-chain assignment
   2. Aromatic side-chain assignment
   3. Amide side-chain assignment