Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILTELVEPYTEYQPLWEPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
3R1I Chain:A ((23-276))
-SVLDLFDLSGKRALITGASTGIGKKVALAYAEAGAQVAVAARHSDALQVVADEIAGVGGKALPIRCDVTQPDQVRGMLDQMTGELGGIDIAVCNAGIVSVQAMLDMPLEEFQRIQDTNVTGVFLTAQAAARAMVDQGLGGTIITTASMSGHIINIPQQVSHYCTSKAAVVHLTKAMAVELAPHQIRVNSVSPGYIRTELVEPLADYHALWEPKIPLGRMGRPEELTGLYLYLASAASSYMTGSDIVIDGGYTCP
General information:
TITO was launched using:
RESULT:
Template:
3R1I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -187362 for 2240 contacts (-83.6/contact) +
2D Compatibility (PS) -27799 + (NN) -14070 + (LL) 208
1D Compatibility (HY) -32000 + (ID) 10400
Total energy: -271423.0 ( -121.17 by residue)
QMean score : 0.587
(partial model without unconserved sides chains):
PDB file :
Tito_3R1I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R1I-query.scw
PDB file :
Tito_Scwrl_3R1I.pdb
: