Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLDLFDLHGKRALITGASTGIGKRVALAYVEAGAQVAIAARHLDALEKLADEIGTSGGKVVPVCCDVSQHQQVTSMLDQVTAELGGIDIAVCNAGIITVTPMLDMPLEEFQRLQNTNVTGVFLTAQAAAKAMVKQGQGGVIINTASMSGHIINVPQQVSHYCASKAAVIHLTKAMAVELAPHKIRVNSVSPGYILTELVEPYTEYQ-PLWEPKIPLGRLGRPEELAGLYLYLASEASSYMTGSDIVIDGGYTCP
4NBU Chain:C ((11-247))
--------LQDKVAIITGAANGIGLEAARVFMKEGAKVVIA----DFNEAAGKEAVEANPGVVFIRVDVSDRESVHRLVENVAERFGKIDILINNAGITRDSMLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGKGK-IINTSSVTGTYGNVGQ--TNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAMVAEVPEKVIEKMKAQVPMGRLGKPEDIANAYLFLASHESDYVNGHVLHVDGG----
General information:
TITO was launched using:
RESULT:
Template:
4NBU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152443 for 2065 contacts (-73.8/contact) +
2D Compatibility (PS) -25576 + (NN) -11501 + (LL) 1732
1D Compatibility (HY) -16400 + (ID) 4900
Total energy: -209088.0 ( -101.25 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_4NBU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBU-query.scw
PDB file :
Tito_Scwrl_4NBU.pdb
: