Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGNRGVVYLGPGKVEVQNIPYPKMQDPQGRQIDHGVILRVVSTNICGSDQHMVRGRTTAPEGLVLGHEITGEVVEIGRGVETMKIGDLVSVPFNVACGHCRTCKEQHTGVCLTVNPARAGGAYGYVDMGGWVGGQAEYVLVPYADFNLLKLPNREAAMEKIRDLTCLSDILPTGYHGAVTAGVGPGSTVYIAGAGPVGLAAAASARLLGAAVVIVGDVNPTRLAHAKKQGFEIADLSKDTPLHEQIAALLGEPEVDCAVDAVGFEARGHGHSGSQQEAPATVLNSLMGITRVAGKIGIPGLYVTEDPGAVDAAAKHGALSIRFGLGWAKSHSFHTGQTPVMKYNRQLMQAIMWDRIKIADIVGVEVITLDDAPKGYGEFDAGVPKKFVIDPHNLFRAA |
1KOL Chain:B ((2-397)) | --GNRGVVYLGSGKVEVQKIDYPKMQDPRGKKIEHGVILKVVSTNICGSDQHMVRGRTTAQVGLVLGHEITGEVIEKGRDVENLQIGDLVSVPFNVACGRCRSCKEMHTGVCLTVNPARAGGAYGYVDMGDWTGGQAEYVLVPYADFNLLKLPDRDKAMEKIRDLTCLSDILPTGYHGAVTAGVGPGSTVYVAGAGPVGLAAAASARLLGAAVVIVGDLNPARLAHAKAQGFEIADLSLDTPLHEQIAALLGEPEVDCAVDAVGFEARGHGHEGAKHEAPATVLNSLMQVTRVAGKIGIPGLYVTEDPGAVDAAAKIGSLSIRFGLGWAKSHSFHTGQTPVMKYNRALMQAIMWDRINIAEVVGVQVISLDDAPRGYGEFDAGVPKKFVIDPHKTFSA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KOL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -249704 for 3728 contacts (-67.0/contact) +
2D Compatibility (PS) -42308 + (NN) -16018 + (LL) 324
1D Compatibility (HY) -50800 + (ID) 17450
Total energy: -375956.0 ( -100.85 by residue)
QMean score : 0.774
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