Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKIYHMILCNSDIMKILAIIKSLPLNDCWLCAGTLRNFIW--NKLSGINETLTSDIDVVFFDKNISYEETVVLEQQLKDNYPQYDWE--LKNEFYMNTHSPNTPKYTSSKDAISKFPEKCTAVGARLDDRNQLELYLPYGEEEILNFIVSPTPYFEEDLLRYNVYLKRVDKKKWNNIWPRLTIIKK-
2B2A Chain:A ((13-191))
------MLTRKEDLLTVLKQISALK------YVSNLYEFLLATEKIVQ-----TSELDTQFQEFLTTT--IIASEQNLVENYKQMTIKQVIDDSIILLGNKQNYVQQIGTTTIGFYVEYR-----QTLYSSNFRNLLNIFGEEDFKYFLIDFLVFTKVEQNGYLQVAGVCLNQYFSVQVKQKKWYKNN
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) -20508 for 1085 contacts (-18.9/contact) +
2D Compatibility (PS) -16862 + (NN) -7347 + (LL) 2008
1D Compatibility (HY) -8000 + (ID) 1400
Total energy: -52109.0 ( -48.03 by residue)
QMean score : 0.169
(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
: