Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA
2AO2 Chain:C ((1-165))
----------------------------------GTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA
General information:
TITO was launched using:
RESULT:
Template:
2AO2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45589 for 1230 contacts (-37.1/contact) +
2D Compatibility (PS) -17904 + (NN) -12005 + (LL) 2732
1D Compatibility (HY) -18000 + (ID) 8250
Total energy: -99016.0 ( -80.50 by residue)
QMean score : 0.612
(partial model without unconserved sides chains):
PDB file :
Tito_2AO2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AO2-query.scw
PDB file :
Tito_Scwrl_2AO2.pdb
: