Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVANLKDLLAEGVSGRGVLVRSDLNVPLDEDGTITDAGRIIASAPTLKALLDADAK-VVVAAHLGRPKDGPDP-TLSLAPVAVALGEQLGRHVQLAGDVVGADALARAEGLTGGDILLLENIRFDKRETSKNDD---DRRALAKQLVE-----LVGTGGVFVSDGFGVVHRKQASVYDIATLLPHYAG-TLVADEMRVLEQLTSSTQRPYAVVLGGSKVSDKLGVIESLATKADSIVIGGGMCFTFLAA-QGFSVGTSLLEDDMIEVCRGLLETYHD---VLRLPVDLVVTEKFAADSPP-QTVDVGAVPNGLMGLDIGPGSIKRFSTLLSNAGTIFWNGPMGVFEFPAYAAGTRGVAEAIVAATGKGAFSVVGGGDSAAAVRAMNIPEGAFSHISTGGGASLEYLEGKTLPGIEVLSREQPTGGVL |
3C39 Chain:B ((6-419)) | --LSNKLTLDKLDVKGKRVVMRVDFNVPM-KNNQITNNQRIKAAVPSIKFCLDNGAKSVVLMSHLGRPDGVPMPDKYSLEPVAVELKSLLGKDVLFLKD------EKACANPAAGSVILLENLRFHVEEEGKGKDASGNKVKAEPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSM--VGVNLPQKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASGIPAGWMGLDCGPESSKKYAEAVTRAKQIVWNGPVGVFEWEAFARGTKALMDEVVKATSRGCITIIGG--------------DKVSHVSTGGGASLELLEGKVLPGVDALSN-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C39.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -254865 for 3305 contacts (-77.1/contact) +
2D Compatibility (PS) -40414 + (NN) -14536 + (LL) 1592
1D Compatibility (HY) -31600 + (ID) 7600
Total energy: -347423.0 ( -105.12 by residue)
QMean score : 0.528
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