Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLTRVSVTAVRNLHPVTLSPSPRINILYGDNGSGKTSVLEAIHLLGLARSFRSARLQPVIQYEEAACTVFGQVMLANGIASNLGISRERQGEFTIRIDGQNARSAAQLAETLPLQLINPDSFRLLEGAPKIRRQFLDWGVFHVEPRFLPVWQRLQKALRQRNSWLRHGKLDPASQAAWDRELSLASDEIDAYRRSYIQALKPVFEETLAELVSLDDLTLSYYRGWDKDRDLLEVLASSLLRDQQMGHTQAGPQRADLRIRLAGHNAAEILSRGQQKLVVCALRIAQGHLINRAKRGQCVYLVDDLPSELDEQHRMALCRLLEDLGCQVFITCVDPQLLKDGWRTDTPVSMFHVEHGKVSQTTTIGSEA |
3QKT Chain:B ((1-47)) | MKLERVTVKNFRSHSDTVVEFKEGINLIIGQNGSGKSSLLDAI-LVGLYWPLRIKDIKKDEFTKVGARDTYIDLIFEKDGTKYRITRRFLKGYSSGEIHAMKRLVGNEWKHVTEPSSKAISAFMEKLIPYNIFLNAIYIRQGQIDAILESDEAREKVVREVLNTEELIEKVKKYKALAREAALSKIGELASEIFAEFTEGKYSEVVVRAEENKVRLFVVWEGKERPLTFLSGGERIALGLAFRLAMSLYLAGEISLLILDEPTPYLDEERRRKLITIMERYLKKIPQVILVSHDEELKDAADHVIRISLENGSSKVEVVS------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3QKT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -18000 for 236 contacts (-76.3/contact) +
2D Compatibility (PS) -5082 + (NN) -1295 + (LL) 4080
1D Compatibility (HY) -5600 + (ID) 1050
Total energy: -26947.0 ( -114.18 by residue)
QMean score : 0.532
|
|
|