Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKYEHIAKQLNAFIHQSNFKPGDKLPNVTQLKERYQVSKSTIIKALGLLEQDGLIYQAQGSGIYVRNIADANRINVFKTNGFSKSLGEHRMTSKVLVFKEMATPPKSVQDELQLNADDTVYYLERLRFVDDDVLCIEYSYYHKEIVKYLNDDIAKGSIFDYLESNMKLRIGFSDIFFNVDKLTSSEASLLQLSTGEPCLRYHQTFYTMTGKPFDSSDIVFHYRHAQFYIPSKK
2OOI Chain:B ((1-161))
------------------------------------------------------------------------NRINVFKTNGFSKSLG--RMTSKVLVFKEMATPPKSVQDELQLNAD-TVYYLERLRFVDDDVLCIEYSYYHKEIVKYLNDDIAKGSIFDYLESNMKLRIGFSDIFFNVDKLTSSEASLLQLSTGEPCLRYHQTFYTMTGKPFDSSDIVFHYRHAQFYIPSK-
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) -104139 for 1179 contacts (-88.3/contact) +
2D Compatibility (PS) -16803 + (NN) 710 + (LL) 5444
1D Compatibility (HY) -25200 + (ID) 7900
Total energy: -147888.0 ( -125.44 by residue)
QMean score : 0.499
(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
: