Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEQFLKDNFSLEGKVALITGASYGIGFSIATAFARAGATIVFNDIKQELVDKGISAYKKLGIKAHGYVCDVTDEDGINEMVDKISQDVGVIDILVNNAGIIKRTPMLEMSAADFRQVIDIDLNAPFIVSKAVLPGMIQKGHGKIINICSMMSELGRETVAAYAAAKGGLKMLTKNIASEYGSANIQCNGIGPGYIATPQTAPLRERQDDGSRHPFDQFIIAKTPAARWGEAEDLGAPAIFLASDASNFINGHILYVDGGILAYIGKQPQ
3CXR Chain:A ((4-269))
---QFSLDQFSLKGKIALVTGASYGIGFAIASAYAKAGATIVFNDINQELVDRGMAAYKAAGINAHGYVCDVTDEDGIQAMVAQIESEVGIIDILVNNAGIIRRVPMIEMTAAQFRQVIDIDLNAPFIVSKAVIPSMIKKGHGKIINICSMMSELGRETVSAYAAAKGGLKMLTKNIASEYGEANIQCNGIGPGYIATPQTAPLREL------HPFDQFIIAKTPAARWGEAEDLMGPAVFLASDASNFVNGHILYVDGGILAYIGKQP-
General information:
TITO was launched using:
RESULT:
Template:
3CXR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170012 for 2178 contacts (-78.1/contact) +
2D Compatibility (PS) -27298 + (NN) -3331 + (LL) 352
1D Compatibility (HY) -35200 + (ID) 11000
Total energy: -246489.0 ( -113.17 by residue)
QMean score : 0.476
(partial model without unconserved sides chains):
PDB file :
Tito_3CXR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CXR-query.scw
PDB file :
Tito_Scwrl_3CXR.pdb
: