Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVRRITLNSNFMFGASDIKSLPNESAPEIAFAGRSNVGKSSLINLLINSKKAARVSSKPGCTRQINFYSMYNDKFRLVDLPGYGCSHASKDETIQYLGLVEYYLIHRRNLRRVFVLIDSKVRLKEIDKDFIYWLTYNNINFDVVLTKIDKVDRENLDAIIESTRKWINNESVSIRQISVRVKYEMTKVRDEFFKFTR
1PUI Chain:A ((11-150))
----------FVMSAPDIRHLPSDTGIEVAFAGRSNAGKSSALNTLTNQ-------------QLINLFEVADGK-RLVDLPGYG------EMKRKWQRALGEYLEKRQSLQGLVVLMDIRHPLKDLDQQMIEWAVDSNIAVLVLLTKADKLASGARKAQLNMVREAVLAFNGDVQVETFSSLKKQGVDKLRQKLDTW
General information:
TITO was launched using:
RESULT:
Template:
1PUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83119 for 867 contacts (-95.9/contact) +
2D Compatibility (PS) -12849 + (NN) -4227 + (LL) 1740
1D Compatibility (HY) -9200 + (ID) 2650
Total energy: -110305.0 ( -127.23 by residue)
QMean score : 0.421
(partial model without unconserved sides chains):
PDB file :
Tito_1PUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PUI-query.scw
PDB file :
Tito_Scwrl_1PUI.pdb
: