Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEEFLNTHNASILLSAANKSHYPQDDLPEVALAGRSNVGKSSFINTLLGRKNLARTSSKPGKTQLLNFYNIDDKLRFVDVPGYGYAKVSKTERAKWGKMIEEYLVTRDNLRVVVSLVDFRHDPSADDIQIYEFLKYYEIPVIIVATKADKIPRGKWNKHESSIKKK-LNFDKKDHFIVFSSVDRTGLD---ESWDTILSEL
1PUI Chain:B ((12-199))
-------------VMSAPDIRHLPSDTGIEVAFAGRSNAGKSSALNTLTN--------------QLINLFEVADGKRLVDLPGY----------RKWQRALGEYLEKRQSLQGLVVLMDIRHPLKDLDQQMIEWAVDSNIAVLVLLTKADKLASGARKAQLNMVREAVLAFNGDVQVETFSSLKKQGVDKLRQKLDTWFSE-
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) -88519 for 1217 contacts (-72.7/contact) +
2D Compatibility (PS) -17401 + (NN) -6858 + (LL) 2280
1D Compatibility (HY) -12000 + (ID) 3200
Total energy: -125698.0 ( -103.29 by residue)
QMean score : 0.544
(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
: