Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVILLGAPGAGKGTQARFITEKFGIPQISTGDMLRAAVKAGSPLGQQVKGVMDSGGLVSDDIIIALIKERITEADCAKGFLFDGFPRTIPQAEALKDAGVTIDHVVEIAVDDEEIVSRIAGRRVHPASGRVYHTEHNPPKVAGKDDVTGEELIQREDDKEETVRHRLSVYHSQTKPLVDFYQKLSAAEGTPKYHSIAGVGSVEQITAKVLSALS
3HPR Chain:B ((1-213))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDGTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSK-EAEAGNTKYAKVDGTKPVAEVRADLEKIL-
General information:
TITO was launched using:
RESULT:
Template:
3HPR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79011 for 1696 contacts (-46.6/contact) +
2D Compatibility (PS) -23722 + (NN) -15461 + (LL) 148
1D Compatibility (HY) -20800 + (ID) 6700
Total energy: -145546.0 ( -85.82 by residue)
QMean score : 0.535
(partial model without unconserved sides chains):
PDB file :
Tito_3HPR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HPR-query.scw
PDB file :
Tito_Scwrl_3HPR.pdb
: