Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MASKPQPIAAANWKCNGSESLLVPLIETLNAATFDHDVQCVVAPTFLHIPMTKARLTNPKFQIAAQNAITRSGAFTGEVSLQILKDYGISWVVLGHSERRLYYGETNEIVAEKVAQACAAGFHVIVCVGETNEEREAGRTAAVVLTQLAAVAQKLSKEAWSRVVIAYEPVWAIGTGKVATPQQAQEVHELLRRWVRSKLGTDIAAQLRILYGGSVTAKNARTLYQMRDINGFLVGGASLKPEFVEIIEATK
2VXN Chain:A ((3-251))
--AKPQPIAAANWKCNGTTASIEKLVQVFNEHTISHDVQCVVAPTFVHIPLVQAKLRNPKYVISAQNAIAKSGAFTGEVSMPILKDIGVHWVILGHSERRTYYGETDEIVAQKVSEACKQGFMVIACIGETLQQREANQTAKVVLSQTSAIAAKLTKDAWNQVVLAYEPVWAIGTGKVATPEQAQEVHLLLRKWVSENIGTDVAAKLRILYGGSVNAANAATLYAKPDINGFLVGGASLKPEFRDIIDATR
General information:
TITO was launched using:
RESULT:
Template:
2VXN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -187466 for 2155 contacts (-87.0/contact) +
2D Compatibility (PS) -27108 + (NN) -10623 + (LL) 352
1D Compatibility (HY) -28400 + (ID) 8550
Total energy: -261795.0 ( -121.48 by residue)
QMean score : 0.819
(partial model without unconserved sides chains):
PDB file :
Tito_2VXN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VXN-query.scw
PDB file :
Tito_Scwrl_2VXN.pdb
: