Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-----------MPARSAEDVITSLIEFVNK-RKVTITREEMLKIAQLVR---IKLSNDEIEHYSKELTMLDWIHDILLRVNTKDVSPIRYGSIDKDIHVRDDVV----NFQSMKEE-------------ILSNTKSEHGYFVVPKVIND----------------
2B2A Chain:A ((13-191))
MLTRKEDLLTVLKQISALKYVSNLYEFLLATEKIVQTSELDTQFQEFLTTTIIASEQNLVENY-KQMTIKQVIDDSIILLGNKQNYVQQIGTTTIGFYVEYRQTLYSSNFRNLLNIFGEEDFKYFLIDFLVFTKVEQNGYLQVAGVCLNQYFSVQVKQKKWYKNN
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) -14025 for 660 contacts (-21.2/contact) +
2D Compatibility (PS) -11967 + (NN) -3388 + (LL) -28
1D Compatibility (HY) -8400 + (ID) 1200
Total energy: -39008.0 ( -59.10 by residue)
QMean score : 0.312
(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
: