Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVILLGAPGAGKGTQARFITEKFGIPQISTGDMLRAAVKAGSPLGQQVKGVMDSGGLVSDDIIIALIKERITEADCAKGFLFDGFPRTIPQAEALK----DAGVTIDHVVEIAVDDEEIVSRIAGRRVHPASGRVYHTEHNPPKVAGKDDVTGEELIQREDDKEETVRHRLSVYHSQTKPLVDFYQKLSAAEGTPKYHSIAGVGSVEQITAKVLSALS
1S3G Chain:A ((1-186))
MNIVLMGLPGAGKGTQADRIVEKYGTPHISTGDMFRAAIQEGTELGVKAKSFMDQGALVPDEVTIGIVRERLSKSDCDNGFLLDGFPRTVPQAEALDQLLADMGRKIEHVLNIQVEKEELIARLTGRRICKVCGTSYHLLFNPPQVEGKCDKDGGELYQRADDNPDTVTNRLEVNMNQTAPLLAFY---------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1S3G.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65532 for 1337 contacts (-49.0/contact) +
2D Compatibility (PS) -19945 + (NN) -11649 + (LL) 2316
1D Compatibility (HY) -16000 + (ID) 4850
Total energy: -115660.0 ( -86.51 by residue)
QMean score : 0.466
(partial model without unconserved sides chains):
PDB file :
Tito_1S3G.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S3G-query.scw
PDB file :
Tito_Scwrl_1S3G.pdb
: