Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKYEHIAKQLNAFIHQSNFKPGDKLPNVTQLKERYQVSKSTIIKALGLLEQDGLIYQAQGSGIYVRNIADANRINVFKTNGFSKSLGEHRMTSKVLVFKEMATPPKSVQDELQLNADDTVYYLERLRFVDDDVLCIEYSYYHKEIVKYLNDDIAKGSIFDYLESNMKLRIGFSDIFFNVDKLTSSEASLLQLSTGEPCLRYHQTFYTMTGKPFDSSDIVFHYRHAQFYIPSKK
2OOI Chain:A ((1-161))
------------------------------------------------------------------------NRINVFKTNGFSKS----RMTSKVLVFKEMATPPKSVQDELQLNADDTVYYLERLRFVDDDVLCIEYSYYHKEIVKYLNDDIAKGSIFDYLESNMKLRIGFSDIFFNVDKLTSSEASLLQLSTGEPCLRYHQTFYTMTGKPFDSSDIVFHYRHAQFYIPSK-
General information:
TITO was launched using:
RESULT:
Template:
2OOI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99187 for 1163 contacts (-85.3/contact) +
2D Compatibility (PS) -16864 + (NN) 473 + (LL) 5524
1D Compatibility (HY) -24800 + (ID) 7850
Total energy: -142704.0 ( -122.70 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_2OOI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OOI-query.scw
PDB file :
Tito_Scwrl_2OOI.pdb
: