Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MASKPQPIAAANWKCNGSESLLVPLIETLNAATFDHDVQCVVAPTFLHIPMTKARLTNPKFQIAAQNAITRSGAFTGEVSLQILKDYGISWVVLGHSERRLYYGETNEIVAEKVAQACAAGFHVIVCVGETNEEREAGRTAAVVLTQLAAVAQKLSKEAWSRVVIAYEPVWAIGTGKVATPQQAQEVHELLRRWVRSKLGTDIAAQLRILYGGSVTAKNARTLYQMRDINGFLVGGASLKPEFVEIIEATK
1QDS Chain:A ((2-251))
-SAKPQPIAAANWKCNGTTASIEKLVQVFNEHTISHDVQCVVAPTFVHIPLVQAKLRNPKYVISAQNAIAKSGAFTGEVSMPILKDIGVHWVILGHSERRTYYGETDEIVAQKVSEACKQGFMVIACIGETLQQREANQTAKVVLSQTSAIAAKLTKDAWNQVVLAYEPVWAIGTGKVATPEQAQEVHLLLRKWVSENIGTDVAAKLRILYGGSVNAANAATLYAKPDINGFLVGGASLKPEFRDIIDATR
General information:
TITO was launched using:
RESULT:
Template:
1QDS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -180574 for 2111 contacts (-85.5/contact) +
2D Compatibility (PS) -27261 + (NN) -11146 + (LL) 208
1D Compatibility (HY) -28400 + (ID) 8550
Total energy: -255723.0 ( -121.14 by residue)
QMean score : 0.837
(partial model without unconserved sides chains):
PDB file :
Tito_1QDS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1QDS-query.scw
PDB file :
Tito_Scwrl_1QDS.pdb
: