Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPFERLALYDINASIKEGSYVAVIGHTGSGKSTLLQHLNGLLKPTKGQISLGSTVIQAGKKNKDLKKLRKKVGIVFQFPEHQLFEE-TVLKDISFGPMNF-GVKKEDAEQKAREMLQLVGLSEELLDRSPFELSGGQMRRVAIAGVLAMDPEVLVLDEPTAGLDPRGRKEIMDMFYELHQRGNLTTILVTHSMEDAAAYADEMIVMHKGTIQASGSPRDLFLKGEEMAGWGLDLPETIKFQRHLEAALGVRFNEPMLTIEDAAAEIRALFQGEKTL
2OUK Chain:B ((39-247))
--------VLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKA--KDTNLNKVREEVGMVFQ--RFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKA-HAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEG-MTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLF-------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2OUK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108652 for 1649 contacts (-65.9/contact) +
2D Compatibility (PS) -23293 + (NN) -17797 + (LL) 5256
1D Compatibility (HY) -20800 + (ID) 4500
Total energy: -169786.0 ( -102.96 by residue)
QMean score : 0.578
(partial model without unconserved sides chains):
PDB file :
Tito_2OUK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OUK-query.scw
PDB file :
Tito_Scwrl_2OUK.pdb
: