Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVASKEPIMSQSERRFSFEFFPAKTEAGHEKLLATARNLAGYKPDFFSCTYGAGGSTRDRTLSTVLQLDGEVKVPTAPHLSCVGDSKAELRELLGRYREAGIRRIVALRGDLPSGMGM-A--SGELRYANELVDFIRTETGDHFHIEVAAYPEVHPQARSFEDDLANFVRKVKAGASSAITQYFFNADAYFYFVERVAKLGVDIPVVPGIMPITNYSKLARFSDACGAELPRWIRKQLEAYGDDSRSIQAFGEQVISEMCERLLEGGAPGLHFYTLNQADPSLAIWKNLQLPR
3APT Chain:A ((10-291))
----------RRGPLFSFEFFPPKDPEGEEALFRTLEELKAFRPAFVSITYGAMGSTRERSVAWAQRIQSL-GLNPLAHLTVAGQSRKEVAEVLHRFVESGVENLLALRGDPPRGERVFRPHPEGFRYAAELVALIRERYGDRVSVGGAAYPEGHPESESLEADLRHFKAKVEAGLDFAITQLFFNNAHYFGFLERARRAGIGIPILPGIMPVTSYRQLRRFTEVCGASIPGPLLAKLERHQDDPKAVLEIGVEHAVRQVAELLEAGVEGVHFYTLNKSPATRMVLERLGLRP
General information:
TITO was launched using:
RESULT:
Template:
3APT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157670 for 2269 contacts (-69.5/contact) +
2D Compatibility (PS) -31105 + (NN) -19940 + (LL) 1120
1D Compatibility (HY) -22800 + (ID) 5750
Total energy: -236145.0 ( -104.07 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_3APT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3APT-query.scw
PDB file :
Tito_Scwrl_3APT.pdb
: