Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVILLGAPGAGKGTQARFITEKFGIPQISTGDMLRAAVKAGSPLGQQVKGVMDSGGLVSDDIIIALIKERITEADCAKGFLFDGFPRTIPQAEALKDAGVTIDHVVEIAVDDEEIVSRIAGRRVHPASGRVYHTEHNPPKVAGKDDVTGEELIQREDDKEETVRHRLSVYHSQTKPLVDFYQKLSAAEGTPKYHSIAGVGSVEQITAKVLSALS
3HPR Chain:A ((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) -75802 for 1695 contacts (-44.7/contact) +
2D Compatibility (PS) -23634 + (NN) -15397 + (LL) 148
1D Compatibility (HY) -20800 + (ID) 6700
Total energy: -142185.0 ( -83.88 by residue)
QMean score : 0.565
(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
: