Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVASKEPIMSQSERRFSFEFFPAKTEAGHEKLLATARNLAGYKPDFFSCTYGAGGSTRDRTLSTVLQLDGEVKVPTAPHLSCVGDSKAELRELLGRYREAGIRRIVALRGDLPSGMGMASGE---LRYANELVDFIRTETGDHFHIEVAAYPEVHPQARSFEDDLANFVRKVKAGASSAITQYFFNADAYFYFVERVAKLGVDIPVVPGIMPITNYSKLARFSDACGAELPRWIRKQLEAYGDDSRSIQAFG-EQVISEMCERLLEGGAPGLHFYTLNQADPSLAIWKNLQLPR
3APY Chain:F ((15-289))
---------------FSFEFFPPKDPEGEEALFRTLEELKAFRPAFVSITYGAMGSTRERSVAWAQRIQSLGLNPLA-HLTVAGQSRKEVAEVLHRFVESGVENLLALRGDPPRGERVFRPHPEGFRYAAELVALIRERYGDRVSVGGAAYPEGHPESESLEADLRHFKAKVEAGLDFAITQLFFNNAHYFGFLERARRAGIGIPILPGIMPVTSYRQLRRFTEVCGASIPGPLLAKLERHQDDPKAVLEIGVEHAVRQVAE-LLEAGVEGVHFYTLNKSPATRMVLERLGLRP
General information:
TITO was launched using:
RESULT:
Template:
3APY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148769 for 2201 contacts (-67.6/contact) +
2D Compatibility (PS) -30204 + (NN) -19071 + (LL) 1284
1D Compatibility (HY) -22400 + (ID) 5950
Total energy: -225110.0 ( -102.28 by residue)
QMean score : 0.604
(partial model without unconserved sides chains):
PDB file :
Tito_3APY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3APY-query.scw
PDB file :
Tito_Scwrl_3APY.pdb
: