Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKVHVFDHPLIQHKLSYIRDVNTGTKEFRELVDEVGMLMAYEVTRDLELQDVDIETPVTKMTAKRLAGKKLAIVPILRAGLGMTDGILSLVPAARVGHIGLYRDPETLKAVEYFAKLPQDITERQIIVVDPMLATGASAIEAITSLKKRGAKNIR--FMCLIAAPEGVEKMHEAHPDVDIYIAALDEKLNDKAYITPGLGDAGDRLFGTK
1JLS Chain:C ((48-242))
---------------MTIIRDKETPKEEFVFYADRLIRLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAEPKLIYEKLPADIRERWVMLLDPMCATAGSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVDICLNSRYYIVPGIGDFGDRYFGT-
General information:
TITO was launched using:
RESULT:
Template:
1JLS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136072 for 1433 contacts (-95.0/contact) +
2D Compatibility (PS) -20268 + (NN) -2730 + (LL) 1304
1D Compatibility (HY) -14000 + (ID) 3550
Total energy: -175316.0 ( -122.34 by residue)
QMean score : 0.432
(partial model without unconserved sides chains):
PDB file :
Tito_1JLS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JLS-query.scw
PDB file :
Tito_Scwrl_1JLS.pdb
: