Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIILMGLPGAGKGTQASEIVKKFPIPHISTGDMFRKAIKEETELGKEAKSYMDRGELVPDEVTVGIVKERISEDDAKKGFLLDGFPRTIEQAEALNNIMSELDRNIDAVINIEVPEEELMNRLTGRRICESCGTTYHLVFNPPKVEGICDIDGGKLYQREDDNPETVANRLSVNIKQSKPILDFYDQKGVLKN-----IDGSKDISDVTKDVIDILDHL
3X2S Chain:A ((1-213))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDCGKLVTDELVIALVKERIAQEDSRNGFLLDGFPRTIPQADA----MKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLCEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKIL---
General information:
TITO was launched using:
RESULT:
Template:
3X2S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48353 for 1648 contacts (-29.3/contact) +
2D Compatibility (PS) -22330 + (NN) -9971 + (LL) 364
1D Compatibility (HY) -17200 + (ID) 5200
Total energy: -102690.0 ( -62.31 by residue)
QMean score : 0.405
(partial model without unconserved sides chains):
PDB file :
Tito_3X2S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3X2S-query.scw
PDB file :
Tito_Scwrl_3X2S.pdb
: