Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALKIMIVDDHQLFREGIKRILELEDSFEVVAEAENGKNIVAKVREYKPDIVLMDINMPTVNGLDATEMLVRQFPSIKVIVLTIHDTDEYVTEALRAGAVGYLLKEMDAHELVEAVKIVDNGGAYIHPRVAIKLIREYRHLASTNTSQGVYGYQQPEVKMPLHILTHRECEVLQLLTDGKSNRGIGETLFISEKTVKNHVSSILQKMKVNDRTQAVVTAIKHGWVYIR
3C3W Chain:B ((2-204))
--VKVFLVDDHEVVRRGLVDLLGADPELDVVGEAGSVAEAMARVPAARPDVAVLDVRLPDGNGIELCRDLLSRMPDLRCLILTSYTSDEAMLDAILAGASGYVVKDIKGMELARAVKDVGAGRSLLDNRAAAALMAKLRGAA--------------EKQDPLSGLTDQERTLLGLLSEGLTNKQIADRMFLAEKTVKNYVSRLLAKLGMERRTQAAVFA---------
General information:
TITO was launched using:
RESULT:
Template:
3C3W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129987 for 1570 contacts (-82.8/contact) +
2D Compatibility (PS) -21738 + (NN) -5871 + (LL) 1456
1D Compatibility (HY) -16400 + (ID) 3700
Total energy: -176240.0 ( -112.25 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_3C3W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C3W-query.scw
PDB file :
Tito_Scwrl_3C3W.pdb
: