Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPFERLALYDINASIKEGSYVAVIGHTGSGKSTLLQHLNGLLKPTKGQISLGSTVIQAGKKNKDLKKLRKKVGIVFQFPEHQLFEE-TVLKDISFGPMNF-GVKKEDAEQKAREMLQLVGLSEELLDRSPFELSGGQMRRVAIAGVLAMDPEVLVLDEPTAGLDPRGRKEIMDMFYELHQRGNLTTILVTHSMEDAAAYADEMIVMHKGTIQASGSPRDLFLKGEEMAGWGLDLPETIKFQRHLEAALGVRFNEPMLTIEDAAAEIRALFQGEKTL
3C41 Chain:J ((18-226))
--------VLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKA--KDTNLNKVREEVGMVFQ--RFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKA-HAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEG-MTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLF-------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3C41.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102114 for 1633 contacts (-62.5/contact) +
2D Compatibility (PS) -23038 + (NN) -15815 + (LL) 5256
1D Compatibility (HY) -20800 + (ID) 4500
Total energy: -161011.0 ( -98.60 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_3C41.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C41-query.scw
PDB file :
Tito_Scwrl_3C41.pdb
: