Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTEQFLKDNFSLEGKVALITGASYGIGFSIATAFARAGATIVFNDIKQELVDKGISAYKKLGIKAHGYVCDVTDEDGINEMVDKISQDVGVIDILVNNAGIIKRTPMLEMSAADFRQVIDIDLNAPFIVSKAVLPGMIQKGHGKIINICSMMSELGRETVAAYAAAKGGLKMLTKNIASEYGSANIQCNGIGPGYIATPQTAPLRERQDDGSRHPFDQFIIAKTPAARWGEAEDLGAPAIFLASDASNFINGHILYVDGGILAYIGKQPQ
4IBO Chain:D ((16-271))
MSNQII---FDLGGRTALVTGSSRGLGRAMAEGLAVAGARILINGTDPSRVAQTVQEFRNVGHDAEAVAFDVTSESEIIEAFARLDEQGIDVDILVNNAGIQFRKPMIELETADWQRVIDTNLTSAFMIGREAAKRMIPRGYGKIVNIGSLTSELARATVAPYTVAKGGIKMLTRAMAAEWAQYGIQANAIGPGYMLTDMNQALIDNPE------FDAWVKARTPAKRWGKPQELVGTAVFLSASASDYVNGQIIYVDGGMLSVL-----
General information:
TITO was launched using:
RESULT:
Template:
4IBO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159476 for 2164 contacts (-73.7/contact) +
2D Compatibility (PS) -26815 + (NN) -2578 + (LL) -372
1D Compatibility (HY) -22800 + (ID) 5450
Total energy: -217491.0 ( -100.50 by residue)
QMean score : 0.557
(partial model without unconserved sides chains):
PDB file :
Tito_4IBO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IBO-query.scw
PDB file :
Tito_Scwrl_4IBO.pdb
: