Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQDHLVNETKNIVEVGIDSSIEESYLAYSMSVIIGRALPDARDGLKPVHRRILYAMHELGLTSKVAYKKSARIVGDVIGKYHPHGDTAVYDALVRMAQDFSMRLELVDGQGNFGSIDGDNAAAMRYTEARMTKASEEILRDIDKDTIDFVPNYDDTLKEPDILPSRLPNLLVNGANGIAVGMATSIPPHRIDEIIDALAHVLGNPNAELDKILEFVKGPDFPTGGIIYGKAGIVEAYKTGRGRVKVRAKVHV-EKTKNKEIIVLGEMPFQTNKAKLVEQISDLAREKQIEGISEVRDESD-REGIRVVIELKRDAMSEIVLNHLYKLTTMETTFSIILLAIYNKEPKIFTLLELLRLFLNHRKTIIIRRTIFELEKAKARAHILEGYLIALDNIDEIVRLIKTSPSPEAAKNALIERFSLSEIQSKAILEMRLQRLTGLERDKIKEEYQNLLELIDDLNGILKSEDRLNEVVKTELLEVKEQFSSPRRTEIQESYESIDTEDLIANEPMVVSMSYKGYVKRVDLKAYERQNRGGKGKLSGSTYEDDFIENFFVANTHDILLFITNKGQLYHLKVYKIPEASRIAMGKAIVNLISLAPNEKIMATLSTKDFSDERSLAFFTKNGVVKRTNLSEFGGNRSYSGIRAIVLDEGDELVGAKVVDKNAKHLLIASYLGMFIKFPLEDVREIGRTTRGVMGIRLNENDFVVGAVVISDDSNKLLSVSENGLGKQTLAEAYREQSRGGKGVIGMKLTQKTGNLVSVISVDDENLNLMILTASAKMIRVSIKDIRETGRNASGVKLINTADKVVYVNSCPKEEEPENLETSSVQNLFE |
2XCR Chain:S ((244-724)) | -----------INERNITSEMRESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTPDKSYKKSARIVGDVMGKYHPHGDSSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDGAAAMRFTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNLLANGASGIAVGMATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFPTAGLILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRIVVTEIPFQVNKARMIEKIAELVRDKKIDGITDLRDETSLRTGVRVVIDVRKDANASVILNNLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQKTVVRRRTQYNLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKLSEKQAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETILADEEVLLQLVRDELTEIRDRFGDDRRTEIQL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XCR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -196252 for 3688 contacts (-53.2/contact) +
2D Compatibility (PS) -51161 + (NN) -14781 + (LL) 22556
1D Compatibility (HY) -48800 + (ID) 13350
Total energy: -301788.0 ( -81.83 by residue)
QMean score : 0.458
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