Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHATSSDDFSLSSRVALVTGAGRGIGRGIALALARAGADVAVADLDPQVAEETAAAIRSLGRRSLALGVDVSDGDSVRAMVERVATEFGRLDVAVNNAGVISIRKVAELSLADWDRVMNVNARGVFLCCQAELPLMQAQ-RWGRIVNLSSIAGKVGLPDLAHYCASKFAVIGFSNALAKEVARDGVTVNALCPGIVGTGMWRGEDGLSGRWRQAGESEAQSWERHQASLLPQGEAQTVEDMGQLVVYLAC--APHVTGQAIAVDGGFSL
3WYE Chain:B ((3-252))
-------------KVALVTGAGQGIGKAIALRLVKDGFAVAIADYNDATAKAVASEINQAGGHAVAVKVDVSDRDQVFAAVEQARKTLGGFDVIVNNAGIAQIKPLLEVTEEDLKQIYSVNVFSVFFGIQAAVEAFKKEGHGGKIINAASIAAIQGFPILSAYSTTKFAVRGLTQTAARDLAPLGITVNGYCPGIVGTGMWEQIDAELSK-----------------S-IALGRPSVPEDVAGLVSFLASPDSDYMTGQSLLIDGG---
General information:
TITO was launched using:
RESULT:
Template:
3WYE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162558 for 2056 contacts (-79.1/contact) +
2D Compatibility (PS) -24815 + (NN) -6696 + (LL) 2352
1D Compatibility (HY) -17600 + (ID) 4900
Total energy: -214217.0 ( -104.19 by residue)
QMean score : 0.565
(partial model without unconserved sides chains):
PDB file :
Tito_3WYE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WYE-query.scw
PDB file :
Tito_Scwrl_3WYE.pdb
: