Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MARKNAVKDNLEQIQHQSYSE-LQELLS-------------EANSMLADSAAFAGD--KADSARARIGALLEKANDALGKGGSAVAERSRHAVDATESY---IGANPWQTVAIT----TAVGLLAGFLLGRRS------------------------------
2B2A Chain:A ((13-191))
MLTRKEDLLTVLKQISALKYVSNLYEFLLATEKIVQTSELDTQFQEFLTTTIIASEQNLVENYKQMTIKQVIDDSIILLGNKQNYVQQIGTTTIGFYVEYRQTLYSSNFRNLLNIFGEEDFKYFLIDFLVFTKVEQNGYLQVAGVCLNQYFSVQVKQKKWYKNN
General information:
TITO was launched using:
RESULT:
Template:
2B2A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -23602 for 653 contacts (-36.1/contact) +
2D Compatibility (PS) -11369 + (NN) -2859 + (LL) 0
1D Compatibility (HY) -8800 + (ID) 900
Total energy: -47530.0 ( -72.79 by residue)
QMean score : 0.280
(partial model without unconserved sides chains):
PDB file :
Tito_2B2A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B2A-query.scw
PDB file :
Tito_Scwrl_2B2A.pdb
: