Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKYIVNTSNDPAYNVALEAYAFQKLT--DIDEIFILWINEPAIIIGRHQNTIQ-EINKEFIDKNGIHVVRRLSGGGAVYHDLNNL-NYTIISNNTQEGAFDFQTFSKPVIDTLAKLGVKAEFT-GRNDLEINGQKFAGNAQAYYKGRMMHHGCLLFDVDMSVLGQALKVSKDKIESKGIKSVRARVTNIVDHLSDKITVQEFSDAILAQMKEEYPEMDEYVLSDAELSEIQAMRDNQFATWDWTYGKAPEYTIERGVRYPAGKITTYANVENSTIKSVKIFGDFFGVKPVDDIEKMLEGVRYDYKDVLAALKTVDTSQYFSRMTPEEITKAIVD |
2QHS Chain:A ((23-228)) | FLVEDLGLVPYGEAWAYQKRVHREVVAGNRPPTLLLLEHPRVITLGRKATGENLLFPESWYRENGFELYWVERGGDVTYHGPGQLVGYPIFPVGR-EVRRFLRQIEEAIVRVAAGYGISAYPTPGYAGVWVGEDKLCAIGVAVKEGVSFHGFALNVNTDLNDFTVIV-PC--GLK-------GKGVTSLEKLLGRKVPMEEAKARVVAAFAEVFGLRPV------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2QHS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -77085 for 1629 contacts (-47.3/contact) +
2D Compatibility (PS) -21468 + (NN) -5772 + (LL) 8572
1D Compatibility (HY) -8800 + (ID) 1650
Total energy: -106203.0 ( -65.20 by residue)
QMean score : 0.450
|
|
|