Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MITACPRPCAWRSYALGLGLLPLAAQAEFLADSSAHLDLRNFYQLRDYRQHDAPQSQAGNWSQGFVLRLQSGFTGGPLGFGLDATGLLGVKLDSGRGRSNDGTLPFGANSKEPVDDYSHLGLTAKLRYSQTQLQVGILMPQLPVAFRDDVRLLPQTFDGALLTSSEIEGLTLTAGQLWKSRTRESAGSDDMYIMGRDKAHASDEFNLAGATYAFTPRLSA-SYYYGQLKDIYRQHYLGLLHTLPLGEGLSLRSDLRYFDSGEDGAAISGPVDNRNLNAMLTLRAGAHAFGIGVQKMIGNDAFPVLNGYTTPYVANLMAYQTFTRPQEKSWQLRYDYDFAGLGLPGLNLMTRYVQGRDIDRGAGRADD-SEWERNTDLSYVIQSGPLKSVALKWRNITYRSRYGAD-LDENRFIVNYTLKLW |
3SZD Chain:A ((9-396)) | ----------------------------FLEDAKASLTARNFHLHRNF-VG----GKAEEWTQSFILDARSGFTQGSVGFGLDVLGLYSLKLDGG------------------ADDFGRLAVAGKLRVSNSELKIGEWMPVLPILRSDDGRSLPQTFRGGQLSANEIAGLTLYAGQFRGNSPRNDASMQDMSLFGRPAA-TSDRFDFAGGEYRFNGERSLLGLWNAELKDIYRQQYLQLQHSQPLGDWL-LGANLGGFRGRDAGSARAGKLDNRTVSALFSARYGLHTLYLGLQKVSGDDGWMRVNGTSGGTLANDSYNASYDNPGERSWQLRYDFDFVGLGLPGLTFMTRYLHGDHV-RLAGVTDDGSEWGRESELGYTLQSGAFKRLNVRWRNSSQRRDWG--RFDENRLIVSYPLSL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SZD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -46631 for 2866 contacts (-16.3/contact) +
2D Compatibility (PS) -36536 + (NN) 606 + (LL) 2296
1D Compatibility (HY) -26800 + (ID) 8300
Total energy: -115365.0 ( -40.25 by residue)
QMean score : 0.186
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