Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MASKPQPIAAANWKCNGSESLLVPLIETLNAATFDHDVQCVVAPTFLHIPMT-KARLTNPKFQIAAQNAIT-RSGAFTGEVSLQILKDYGISWVVLGHSERRLYYGETNEIVAEKVAQACAAGFHVIVCVGETNEEREAGRTAAVVLTQLAAVAQKLSKEAWSRVVIAYEPVWAIGTGKVATPQQAQEVHELLRRWVRSKLGTDIAAQLRILYGGSVTAKNARTLYQMRDINGFLVGGASLK-PEFVEIIEATK
4MKN Chain:A ((17-264))
--SSAKFFVGGNWKCNGSVANVAKLVDELNAGTIPRGVDVVVAPPFIYIDYVMQHLDR-DKYQLSAQNAWIGGNGAFTGEVSAEQLTDFGVPWVILGHSERRSLFGESNEVVAKKTSHALAAGLGVIACIGETLEQRNSGSVFKVLDAQMDALVDEVKD--WTKVVLAYEPVWAIGTGVVASPEQAQEVHAYLRQYCAKKLGAAVADKLRIIYGGSVSDTNCKDLSKQEDIDGFLVGGASLKGAAFVTICNAA-
General information:
TITO was launched using:
RESULT:
Template:
4MKN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -185199 for 2067 contacts (-89.6/contact) +
2D Compatibility (PS) -27021 + (NN) -12080 + (LL) 584
1D Compatibility (HY) -25200 + (ID) 6200
Total energy: -255116.0 ( -123.42 by residue)
QMean score : 0.793
(partial model without unconserved sides chains):
PDB file :
Tito_4MKN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MKN-query.scw
PDB file :
Tito_Scwrl_4MKN.pdb
: