Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIKNFQNNNDWSELLVSVRRVTTVTKGGRRFSFSILVVVGDEKGRVGCGMGKHAEVAEARIKAVNAAKKSMIRVYLREGRTLHHDIKAKFCSGEIVLRAARAGTGIIAGGAIRSVFEVLGIKDVVAKSTRSNNPHNVICAVFKAFDNMLSPRQVASKRGKKISEVVGNR
4AQY Chain:E ((4-141))
----------DFEEKMILIRRTARMQAGGRRFRFGALVVVGDRQGRVGLGFGKAPEVPLAVQKAGYYARRNMVEVPLQNG-TIPHEIEVEFGASKIVLKPAAPGTGVIAGAVPRAILELAGVTDILTKELGSRNPINIAYATMEALRQLRTKADVERLRKG---------
General information:
TITO was launched using:
RESULT:
Template:
4AQY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112429 for 1104 contacts (-101.8/contact) +
2D Compatibility (PS) -14978 + (NN) -6001 + (LL) 1160
1D Compatibility (HY) -10800 + (ID) 2900
Total energy: -145948.0 ( -132.20 by residue)
QMean score : 0.486
(partial model without unconserved sides chains):
PDB file :
Tito_4AQY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AQY-query.scw
PDB file :
Tito_Scwrl_4AQY.pdb
: