Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILTELVEPYTEYQPLWEPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
3R1I Chain:B ((22-276))
MSVLDLFDLSGKRALITGASTGIGKKVALAYAEAGAQVAVAARHSDALQVVADEIAGVGGKALPIRCDVTQPDQVRGMLDQMTGELGGIDIAVCNAGIVSVQAMLDMPLEEFQRIQDTNVTGVFLTAQAAARAMVDQGLGGTIITTASMSGHIINIPQQVSHYCTSKAAVVHLTKAMAVELAPHQIRVNSVSPGYIRT--------YHALWEPKIPLGRMGRPEELTGLYLYLASAASSYMTGSDIVIDGGYTCP
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) -183193 for 2152 contacts (-85.1/contact) +
2D Compatibility (PS) -27134 + (NN) -16006 + (LL) 684
1D Compatibility (HY) -31200 + (ID) 10200
Total energy: -267049.0 ( -124.09 by residue)
QMean score : 0.530
(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
: