Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKVLVVDDEPVARNELIYLLNKYDSNLVIAEAHDMATALAILLRETFDVALLDIHLRDDSGLQLAEYINKMPKPPLLIFATAYDQYAIQAFEHDARDYLLKPYDFDRLKQAMDRVKGALSTSTIIESVTSGPLFKQQYPLTVEDRIYLVSADDILLIEAMQGKLIIQTPDKNYEIDGSLQQWQDKLPSSQFVRVHRSYIVNINAIKTIEPWFNQTLQLHLCNKITVPVSRANVKPLKQMLGIST
3D6W Chain:A ((4-109))
----------------------------------------------------------------------------------------------------------------------------------------VVTLKTTDGWIPVPFSKVMYLEAKDKKTYVNAEELTGTHKYSLQEFEYLLPKDSFIRCHRSFIVNVNHIKAIYPDTHSTFLLSMDNGERVPVSQSYASYFRKLLGF--
General information:
TITO was launched using:
RESULT:
Template:
3D6W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89159 for 750 contacts (-118.9/contact) +
2D Compatibility (PS) -11390 + (NN) -1711 + (LL) 11188
1D Compatibility (HY) -8400 + (ID) 1650
Total energy: -101122.0 ( -134.83 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_3D6W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3D6W-query.scw
PDB file :
Tito_Scwrl_3D6W.pdb
: