Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITV-TPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILTELVEPY---TEYQPLWEPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
3AWD Chain:A ((5-258))
--YMEKLRLDNRVAIVTGGAQNIGLACVTALAEAGARVIIADLDEAMATKAVEDLRMEGHDVSSVVMDVTNTESVQNAVRSVHEQEGRVDILVACAGICISEVKAEDMTDGQWLKQVDINLNGMFRSCQAVGRIMLEQK-QGVIVAIGSMSGLIVNRPQQQAAYNASKAGVHQYIRSLAAEWAPHGIRANAVAPTYIETTLTRFGMEKPELYDAWIAGTPMGRVGQPDEVASVVQFLASDAASLMTGAIVNVDAGFT--
General information:
TITO was launched using:
RESULT:
Template:
3AWD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -176323 for 2210 contacts (-79.8/contact) +
2D Compatibility (PS) -27443 + (NN) -13462 + (LL) 216
1D Compatibility (HY) -13200 + (ID) 4500
Total energy: -234712.0 ( -106.20 by residue)
QMean score : 0.615
(partial model without unconserved sides chains):
PDB file :
Tito_3AWD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AWD-query.scw
PDB file :
Tito_Scwrl_3AWD.pdb
: