Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVILLGAPGAGKGTQARFITEKFGIPQISTGDMLRAAVKAGSPLGQQVKGVMDSGGLVSDDIIIALIKERITEADCAKGFLFDGFPRTIPQAEALKDAGVTIDHVVEIAVDDEEIVSRIAGRRVHPASGRVYHTEHNPPKVAGKDDVTGEELIQREDDKEETVRHRLSVYHSQTKPLVDFYQKLSAAEGTPKYHSIAGVGSVEQITAKVLSALS
3HPQ Chain:A ((1-213))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSK-EAEAGNTKYAKVDGTKPVAEVRADLEKIL-
General information:
TITO was launched using:
RESULT:
Template:
3HPQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81579 for 1692 contacts (-48.2/contact) +
2D Compatibility (PS) -23651 + (NN) -15136 + (LL) 148
1D Compatibility (HY) -21600 + (ID) 6750
Total energy: -148568.0 ( -87.81 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_3HPQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HPQ-query.scw
PDB file :
Tito_Scwrl_3HPQ.pdb
: