Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEEFLNTHNASILLSAANKSHYPQDDLPEVALAGRSNVGKSSFINTLLGRKNLARTSSKPGKTQLLNFYNIDDKLRFVDVPGYGYAKVSKTERAKWGKMIEEYLVTRDNLRVVVSLVDFRHDPSADDIQIYEFLKYYEIPVIIVATKADKIPRGKWNKHESSIKKK-LNFDKKDHFIVFSSVDRTGLD---ESWDTILSEL
1PUI Chain:A ((11-198))
------------FVMSAPDIRHLPSDTGIEVAFAGRSNAGKSSALNTLTNQ-------------QLINLFEVADGKRLVDLPGYG------EMKRKWQRALGEYLEKRQSLQGLVVLMDIRHPLKDLDQQMIEWAVDSNIAVLVLLTKADKLASGARKAQLNMVREAVLAFNGDVQVETFSSLKKQGVDKLRQKLDTWFS--
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) -84352 for 1266 contacts (-66.6/contact) +
2D Compatibility (PS) -17938 + (NN) -7838 + (LL) 1996
1D Compatibility (HY) -12400 + (ID) 3200
Total energy: -123732.0 ( -97.73 by residue)
QMean score : 0.480
(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
: