Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MASKPQPIAAANWKCNGSESLLVPLIETLNAATFDHDVQCVVAPTFLHIPMTKARLTNPKFQIAAQNAITRSGAFTGEVSLQILKDYGISWVVLGHSERRLYYGETNEIVAEKVAQACAAGFHVIVCVGETNEEREAGRTAAVVLTQLAAVAQKLSKEAWSRVVIAYEPVWAIGTGKVATPQQAQEVHELLRRWVRSKLGTDIAAQLRILYGGSVTAKNARTLYQMRDINGFLVGGASLKPEFVEIIEATK
2Y61 Chain:A ((3-251))
--AKPQPIAAANWKCNGTTASIEKLVQVFNEHTISHDVQCVVAPTFVHIPLVQAKLRNPKYVISAQNAIAKSGAFTGEVSMPILKDIGVHWVILGHSERRTYYGETDEIVAQKVSEACKQGFMVIACIGETLQQREANQTAKVVLSQTSAIAAKLTKDAWNQVVLAYEPVWAIGTGKVATPEQAQEVHLLLRKWVSENIGTDVAAKLRILYGGSVNAANAATLYAKPDINGFLVGGASLKPEFRDIIDATR
General information:
TITO was launched using:
RESULT:
Template:
2Y61.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -187923 for 2154 contacts (-87.2/contact) +
2D Compatibility (PS) -27227 + (NN) -11153 + (LL) 352
1D Compatibility (HY) -28400 + (ID) 8550
Total energy: -262901.0 ( -122.05 by residue)
QMean score : 0.808
(partial model without unconserved sides chains):
PDB file :
Tito_2Y61.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Y61-query.scw
PDB file :
Tito_Scwrl_2Y61.pdb
: