Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPTAAPRWILHVDLDQFLASVELLRHPELAGLPVIVGGNGDPTEPRKVVTCASYEARAYGVRAGMPLRTAARRCPEATFLPSNPAAYNAASEEVVALLRDLGYPVEVWGWDEAYLAVAPGTPD--DPIEVAEEIRKVILSQTGLSCSIGISDNKQRAKIATGLAKPAGIYQLTDANWMAIMGDRTVEALWGVGPKTTKRLAKLGINTVYQLAHTDSGLLMSTFGPRTALWLLLAKGGGDTEVSAQAWVPRSRSHAVTFPRDLTCRSEMESAVTELAQRTLNEVVASSRTVTRVAVTVRTATFYTRTKIRKLQAPSTDPDVITAAARHVLDLFELDRPVRLLGVRLELA |
2BQR Chain:A ((9-232)) | --------VLFVDFDYFYAQVEEVLNPSLKGKPVVVCVFSGRFEDSGAVATANYEARKFGVKAGIPIVEAKKILPNAVYLPMRKEVYQQVSSRIMNLLREYSEKIEIASIDEAYLDISDKVRDYREAYNLGLEIKNKILEKEKITVTVGISKNKVFAKIAADMAKPNGIKVIDDEEVKRLIRELDIADVPGIGNITAEKLKKLGINKLVDTLSIEFDKLKGMIGEAKAKYLI-------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BQR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148764 for 1726 contacts (-86.2/contact) +
2D Compatibility (PS) -24316 + (NN) -14263 + (LL) 10004
1D Compatibility (HY) -19200 + (ID) 3750
Total energy: -200289.0 ( -116.04 by residue)
QMean score : 0.534
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