Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKVHVFDHPLIQHKLSYIRDVNTGTKEFRELVDEVGMLMAYEVTRDLELQDVDIETPVTKMTAKRLAGKKLAIVPILRAGLGMTDGILSLVPAARVGHIGLYRDPETLKAVEYFAKLPQDITERQIIVVDPMLATGASAIEAITSLKKRGAKNIRFMCLIAAPEGVEKMHEAHPDVDIYIAALDEKLNDKAYITPGLGDAGDRLFGTK
1I5E Chain:B ((2-209))
-GKVYVFDHPLIQHKLTYIRDKNTGTKEFRELVDEVATLMAFEITRDLPLEEVEIETPVSKARAKVIAGKKLGVIPILRAGIGMVDGILKLIPAAKVGHIGLYRDPQTLKPVEYYVKLPSDVEERDFIIVDPMLATGGSAVAAIDALKKRGAKSIKFMCLIAAPEGVKAVETAHPDVDIYIAALDERLNDHGYIVPGLGDAGDRLFGTK
General information:
TITO was launched using:
RESULT:
Template:
1I5E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170625 for 1628 contacts (-104.8/contact) +
2D Compatibility (PS) -22189 + (NN) -3714 + (LL) 208
1D Compatibility (HY) -27200 + (ID) 7850
Total energy: -231370.0 ( -142.12 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_1I5E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1I5E-query.scw
PDB file :
Tito_Scwrl_1I5E.pdb
: