Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLSAAVVAIDGPAGTGKSSVSRRLARELGARFLDTGAMYRIVTLAVLRAGADPSDIAAVETIASTVQMSLGYDPDGDSCYLAGEDVSVEIRGDAVTRAVSAVSSVPAVRTRLVELQRTMAEGPGSIVVEGRDIGTVVFPDAPVKIFLTASAETRARRRNAQNVAAGLADDYDGVLADVRRRDHLDSTRAVSPLQAAGDAVIVDTSDMTEAEVVAHLLELVTRRSEAVR
3AKE Chain:A ((1-207))
----MRGIVTIDGPSASGKSSVARRVAAALGVPYLSSGLLYRAAAFLALRAGVDPGDEEGLLALLEGLGVRLLAQAEGNRVLADGEDLTSFLHTPEVDRVVSAVARLPGVRAWVNRRLKE---VPPPFVAEGRDMGTAVFPEAAHKFYLTASPEVRAWRRARERPQ-----AYEEVLRDLLRRDERD------QSAPAPDALVLDTGGMTLDEVVAWVLAHIR-------
General information:
TITO was launched using:
RESULT:
Template:
3AKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114431 for 1706 contacts (-67.1/contact) +
2D Compatibility (PS) -22275 + (NN) -12420 + (LL) 2272
1D Compatibility (HY) -12800 + (ID) 4100
Total energy: -163754.0 ( -95.99 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_3AKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AKE-query.scw
PDB file :
Tito_Scwrl_3AKE.pdb
: