Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKYFLDTADVSEIRRLNRLGIVDGVTTNPTIISREGR-DFKEVINEICQIVDGPVSAEVTGLTCDEMVTEAREIAKWSPNVVVKIPMTEEGLAAVSQLSKEGIKTNVTLIFTVAQGLSAMKAGATFISPFVGRLEDIGTDAYALIRDLRHIIDFYGFQSEIIAASIRGLAHVEGVAKCGAHIATIPDKTFASLFTHPLTDKGIETFLKDWDSFKKK
3R8R Chain:A ((1-212))
MLFFVDTANIDEIREANELGILAGVTTNPSLVAKEANVSFHDRLREITDVVKGSVSAEVISLKAEEMIEEGKELAKIAPNITVKIPMTSDGLKAVRALTDLGIKTNVTLIFNANQALLAARAGATYVSPFLGRLDDIGHNGLDLISEVKQIFDIHGLDTQIIAASIRHPQHVTEAALRGAHIGTMPLKVIHALTKHPLTDKGIEQFLADWNK----
General information:
TITO was launched using:
RESULT:
Template:
3R8R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152951 for 1711 contacts (-89.4/contact) +
2D Compatibility (PS) -23079 + (NN) -5125 + (LL) 324
1D Compatibility (HY) -20800 + (ID) 5550
Total energy: -207181.0 ( -121.09 by residue)
QMean score : 0.593
(partial model without unconserved sides chains):
PDB file :
Tito_3R8R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R8R-query.scw
PDB file :
Tito_Scwrl_3R8R.pdb
: