Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKKICIAIDGPAAAGKSTVAKIVAKKLRFVYIDTGAMYRAVTYIALKNNIAYEDEKAIAALLQKT--VIRFEPGEVQQVFVGSENVTEVIRSIEVTNHVSIVAAHPSIREALQERQQVFA-TEGGIVMDGRDIGTAVLPNAELKIFLLASVEERAERRYKENMAKGFTGDLDQLKKEIEERDHLDYTRTHSPLKKADDAIEVDTTSMSIDQVANKILSLAELKINN
4DIE Chain:A ((4-219))
---SMVVAVDGPSGTGKSSVAKELARQLGASYLDTGAMYRIVTLWVLRAGVDLTDPAAIAAATDQVPMSVSSDP-DAQTALLAGEDVSVPIRGNEVTGAVSAVSAVPAVRERLVRQQRELAESSGAVVVEGRDIGTVVLPDADVKIYLTASAQARAQRRNAQN-----------VLADVQRRDHLDSTR----LRPAEDALEVDTSDMTQEQVVAHLLDL-------
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) -127761 for 1535 contacts (-83.2/contact) +
2D Compatibility (PS) -21663 + (NN) -11038 + (LL) 1012
1D Compatibility (HY) -12800 + (ID) 4450
Total energy: -176700.0 ( -115.11 by residue)
QMean score : 0.642
(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
: