Main Panel¶
Options¶
Chain: Choose the molecular system chain to make predictions for
Shift List: Select the shift list to take input chemical shifts from
Max No. of Islands: Select the maximum allowed number of disontinuous prediction islands
Dangle Run: Select a run number to store DANGLE results within
Ensemble: Select the structure ensemble for superimposition of angle values on the GLE plots
Restraint Set: Select the CCPN restraint set to store DANGLE dihedral angle restraints in
Global Likelihood Estimates¶
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Previous: Show GLE plot of angle predictions for previous residue in chain
Next: Show GLE plot of angle predictions for next residue in chain
Dihedral Angle Predictions¶
Table 1 | |
Res Num | Residue number in chain |
Res Type | Residue type code |
No. of Islands | Number of high scoring discontinuous angle predictions |
SS | Predicted secondary structure code |
Phi | Predicted phi dihedral angle (CO-N-CA-CO) (Editable) |
Psi | Predicted psi dihedral angle (N-CA-CO-N) (Editable) |
Phi Upper | Upper bound of phi angle prediction (Editable) |
Phi Lower | Lower bound of phi angle prediction (Editable) |
Psi Upper | Upper bound of psi angle prediction (Editable) |
Psi Lower | Lower bound of phi angle prediction (Editable) |
Chemical Shifts | Chemical shifts used in prediction |
Clear Selected: Remove the predictions for the selected residues
Run Prediction!: Run the DANGLE method to predict dihedral angles and secondary structure
Delete Current Run: Delete the DANGLE results stored under the current run number
Commit Restraints: Store the angle predictions and bounds in a new CCPN dihedral angle restraint list
Commit Secondary Structure: Store the secondary structure predictions in the CCPN project