Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPTAAPRWILHVDLDQFLASVELLRHPELAGLPVIVGGNGDPTEPRKVVTCASYEARAYGVRAGMPLRTAARRCPEATFLPSNPAAYNAASEEVVALLRDLGYPVEVWGWDEAYLAVAPGTPD--DPIEVAEEIRKVILSQTGLSCSIGISDNKQRAKIATGLAKPAGIYQLTDANWMAIMGDRTVEALWGVGPKTTKRLAKLGINTVYQLAHTDSGLLMSTFGPRTALWLLLAKGGGDTEVSAQAWVPRSRSHAVTFPRDLTCRSEMESAVTELAQRTLNEVVASSRTVTRVAVTVRTATFYTRTKIRKLQAPSTDPDVITAAARHVLDLFELDRPVRLLGVRLELA |
2RDJ Chain:A ((3-226)) | --------VLFVDFDYFYAQVEEVLNPSLKGKPVVVCVFSGRFEDSGAVATANYEARKFGVKAGIPIVEAKKILPNAVYLPMRKEVYQQVSSRIMNLLREYSEKIEIASIDEAYLDISDKVRDYREAYNLGLEIKNKILEKEKITVTVGISKNKVFAKIAADMAKPNGIKVIDDEEVKRLIRELDIADVPGIGNITAEKLKKLGINKLVDTLSIEFDKLKGMIGEAKAKYLI-------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2RDJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -149804 for 1731 contacts (-86.5/contact) +
2D Compatibility (PS) -24414 + (NN) -15385 + (LL) 10004
1D Compatibility (HY) -19200 + (ID) 3750
Total energy: -202549.0 ( -117.01 by residue)
QMean score : 0.480
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