Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEEFLNTHNASILLSAANKSHYPQDDLPEVALAGRSNVGKSSFINTLLGRKNLARTSSKPGKTQLLNFYNIDDKLRFVDVPGYGYAKVSKTERAKWGKMIEEYLVTRDNLRVVVSLVDFRHDPSADDIQIYEFLKYYEIPVIIVATKADKIPRGKWNKHESSIKKKLNFDKKDHFIVFSSVDRTGLDESWDTILSEL
3PQC Chain:B ((12-188))
----------------ARTPGDYPPPLKGEVAFVGRSNVGKSSLLNALFNRK-IAFVSKTPGKTRSINFYLVNSKYYFVDLPGYGYAKVSKKERMLWKRLVEDYFKNRWSLQMVFLLVDGRIPPQDSDLMMVEWMKSLNIPFTIVLTKMDKVKMSERAKKLEEHRKVFSKYGEYTIIPTSSVTGEGISELLDLISTLL
General information:
TITO was launched using:
RESULT:
Template:
3PQC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82545 for 1297 contacts (-63.6/contact) +
2D Compatibility (PS) -19277 + (NN) -7192 + (LL) 1368
1D Compatibility (HY) -15200 + (ID) 3800
Total energy: -126646.0 ( -97.65 by residue)
QMean score : 0.587
(partial model without unconserved sides chains):
PDB file :
Tito_3PQC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PQC-query.scw
PDB file :
Tito_Scwrl_3PQC.pdb
: