Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MENLAYKLIKVTEAAALAAYKLVGLGDEKKADQVAVDAMRTVLNSMEINGTIVIGEGERDKAPMLYVGEKVGTGNGPEIDIAVDPLEGTTICAHYKQSAMSVLAAAKKGDFLHAPDIYMEKIAIGKDLPIGVVSLKNSVEKNFDNLAQAKKCEVNDLTVTILKRERHNNLILKIRKLGARVKLIDDGDIAA--IVSLINGSHDIYIGIGGAPEGVLAAAALSSIGGQMEGRLIF------DTHQSKE-------RAKILNIDDLEKIYSIKDMVKGESV-FIATGVTSGELVDGVKFGYNICSTSSLIMLHNKVIKLQTIQNLC |
3D1R Chain:A ((6-322)) | ---LAIEFSRVTESAALAGYKWLGRGDKNTADGAAVNAMRIMLNQVNIDGTIVIGEGEIAEAPMLYIGEKVGTGRGDAVDIAVDPIEGTRMTAMGQANALAVLAVGDKGCFLNAPDMYMEKLIVGPGAK-GTIDLNLPLADNLRNVAAALGKPLSELTVTILAKPRHDAVIAEMQQLGVRVFAIPDGDVAASILTCMPDSEVDVLYGIGGAPEGVVSAAVIRALDGDMNGRLLARHDVKGDNE-NRRIGEQELARCKAMGI-EAGKVLRLGDMARSDNVIFSATGITKGDLLEGISRKGNIATTETL-LIRGKS-TIRRIQSIH |
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General information:
TITO was launched using:
| RESULT:
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Template: 3D1R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177800 for 2643 contacts (-67.3/contact) +
2D Compatibility (PS) -32764 + (NN) -14575 + (LL) 888
1D Compatibility (HY) -26000 + (ID) 6850
Total energy: -257101.0 ( -97.28 by residue)
QMean score : 0.567
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