Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLRGILPFAHDTLRKVVRSGDYVVDATCGNGHDTLLLAELVGINGHVLGFDIQQLAIDATNTRLENAGVSSQVELVCASHARIPEYTSKPVRAAIFNLGYLPGGDKEITTTADSTLESIGHLMELLEVGGVIILVIYHGHPAGKQEKDAVMTFCEAIPQQDFHVLSYNFINQKNDAPFVIIIEKRKPRQS
3LBY Chain:A ((6-180))
------IELSHDFLSQVLDKNSIAIDATMGNGNDTVFLSHLAK---KVYAFDVQEQALIKTREKLEQLNIKN-VQLILDGHQTINKYVTEPIRAAIFNLGYLPSA--SVITQPATTLTAIKKILERLEIGGRLAIMVYY---GGDKEKDAVLNFVKELDQQHFTVMLYQPLNQINTPPFLVMIEK------
General information:
TITO was launched using:
RESULT:
Template:
3LBY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157147 for 1364 contacts (-115.2/contact) +
2D Compatibility (PS) -18778 + (NN) -7689 + (LL) 444
1D Compatibility (HY) -20400 + (ID) 3450
Total energy: -207020.0 ( -151.77 by residue)
QMean score : 0.638
(partial model without unconserved sides chains):
PDB file :
Tito_3LBY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LBY-query.scw
PDB file :
Tito_Scwrl_3LBY.pdb
: