Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---------------------MNKEKLFYTIGEVAEELHLEQHVLRFWE-----SQFRQIKPIKRKGRRLYDHKCIEVIKKIKYMLYDKGYTIKGVQKEFDNNIKSSCNFGNLLPQL------IDLRDYLINKINSEKSNEQL----------------------
2B2A Chain:A ((13-191))
MLTRKEDLLTVLKQISALKYVSNLYEFLLATEKIVQTSELDTQFQEFLTTTIIASEQNLVENYKQMTIKQVIDDSIILLGNKQNYVQQIGTTTIGFYVEYRQTLYSS-NFRNLLNIFGEEDFKYFLIDFLVFTKVEQNGYLQVAGVCLNQYFSVQVKQKKWYKNN
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) -19876 for 668 contacts (-29.8/contact) +
2D Compatibility (PS) -10917 + (NN) 2505 + (LL) 56
1D Compatibility (HY) -6400 + (ID) 1050
Total energy: -35682.0 ( -53.42 by residue)
QMean score : 0.228
(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
: