Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILT----ELVEPYTEY--QPL------WEPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
1GEG Chain:D ((3-252))
-----------KVALVTGAGQGIGKAIALRLVKDGFAVAIADYNDATAKAVASEINQAGGHAVAVKVDVSDRDQVFAAVEQARKTLGGFDVIVNNAGVAPSTPIESITPEIVDKVYNINVKGVIWGIQAAVEAFKKEGHGGKIINACSQAGHVGN--PELAVYSSSKFAVRGLTQTAARDLAPLGITVNGYCPGIVKTPMWAEIDRQVSEAAGKPLGYGTAEFAKRITLGRLSEPEDVAACVSYLASPDSDYMTGQSLLIDGG----
General information:
TITO was launched using:
RESULT:
Template:
1GEG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -165263 for 2100 contacts (-78.7/contact) +
2D Compatibility (PS) -25748 + (NN) -11604 + (LL) 864
1D Compatibility (HY) -15200 + (ID) 5200
Total energy: -222151.0 ( -105.79 by residue)
QMean score : 0.565
(partial model without unconserved sides chains):
PDB file :
Tito_1GEG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GEG-query.scw
PDB file :
Tito_Scwrl_1GEG.pdb
: