Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIILMGLPGAGKGTQASEIVKKFPIPHISTGDMFRKAIKEETELGKEAKSYMDRGELVPDEVTVGIVKERISEDDAKKGFLLDGFPRTIEQAEALNNIMSELDRNIDAVINIEVPEEELMNRLTGRRICESCGTTYHLVFNPPKVEGICDIDGGKLYQREDDNPETVANRLSVNIKQSKPILDFYDQKGVLKN-----IDGSKDISDVTKDVIDILDHL
3HPQ Chain:B ((1-213))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADA----MKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKIL---
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) -51966 for 1621 contacts (-32.1/contact) +
2D Compatibility (PS) -22468 + (NN) -11403 + (LL) 364
1D Compatibility (HY) -17200 + (ID) 5200
Total energy: -107873.0 ( -66.55 by residue)
QMean score : 0.470
(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
: