Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKKICIAIDGPAAAGKSTVAKIVAKKLRFVYIDTGAMYRAVTYIALKNNIAYEDEKAIAALLQKT--VIRFEPGEVQQVFVGSENVTEVIRSIEVTNHVSIVAAHPSIREALQERQQVFA-TEGGIVMDGRDIGTAVLPNAELKIFLLASVEERAERRYKENMAKGFTGDLDQLKKEIEERDHLDYTRTHSPLKKADDAIEVDTTSMSIDQVANKILSLAELKINN
4DIE Chain:B ((4-219))
---SMVVAVDGPSGTGKSSVAKELARQLGASYLDTGAMYRIVTLWVLRAGVDLTDPAAIAAATDQVPMSVSSDP-DAQTALLAGEDVSVPIRGNEVTGAVSAVSAVPAVRERLVRQQRELAESSGAVVVEGRDIGTVVLPDADVKIYLTASAQARAQRRN-------------------QRRDHLDSTRAVSPLRPAEDALEVDTSDMTQEQVVAHLLDL-------
General information:
TITO was launched using:
RESULT:
Template:
4DIE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120816 for 1518 contacts (-79.6/contact) +
2D Compatibility (PS) -21179 + (NN) -11396 + (LL) 1784
1D Compatibility (HY) -12000 + (ID) 4500
Total energy: -168107.0 ( -110.74 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_4DIE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DIE-query.scw
PDB file :
Tito_Scwrl_4DIE.pdb
: