Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPFERLALYDINASIKEGSYVAVIGHTGSGKSTLLQHLNGLLKPTKGQISLGSTVIQAGK-----KNKDLKKLR-KKVGIVFQFPEHQL---------FEETVLKDISFGPMNFGVKKEDAE--QKAREMLQLVGLSEE-LLDRSPFELSGGQMRRVAIAGVLAMDPEVLVLDEPTAGLDPRGRKEIMDMFYELHQRGNLTTILVTHSMEDAAAYADEMIVMHKGTIQASGSPRDLFLKGEEMAGWGLDLPETIKFQRHLEAALGVRFNEPMLTIEDAAAEIRALFQGEKTL
4FWI Chain:B ((27-253))
------------ISLDILENSVTAIVGESASGKSTIIEAMTKTLPPN-GRI-LSGRVLYKGKDLLTMREEELRKIRWKEIALVPQAAQQSLNPTMKVIEHFKDTV--------EAHGVRWSHSELIEKASEKLRMVRLNPEAVLNSYPLQLSGGMKQRVLIALALLLDPVVLILDEPTSALDVLTQAHIIQLLKELKKMLKITLIFVTHDIAVAAELADKVAVIYGGNLVEYNSTFQIF-------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4FWI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100634 for 1413 contacts (-71.2/contact) +
2D Compatibility (PS) -22216 + (NN) -15860 + (LL) 5808
1D Compatibility (HY) -18000 + (ID) 3850
Total energy: -154752.0 ( -109.52 by residue)
QMean score : 0.543
(partial model without unconserved sides chains):
PDB file :
Tito_4FWI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4FWI-query.scw
PDB file :
Tito_Scwrl_4FWI.pdb
: