Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MITKFPDQWQDKLTQRQFDDLTDIQNKLFQAITDGDNILGISPTGTGKTLAYLFPTLLKLQPKKSQ-QLLILAPNSELAGQIFDVTKEWAEPLGLTAQLFLSGSSQKRQIERLKKGPEILIGTAGRVFELVKLKKIKMMNINTIVLDEFDELLGDSQYHFVDNIINRVPRDQQMIYISATNKLDNSKLA----DNTITIDLSDQ-KLDTIKHYYITVDKRERTDLLRK-FSNIPDFRGLVFFNSLSDLGACEERLQFNRASAVSLASDINIKFRKVILEKFKNHDISLLLGTDLVARGIDIDNLEYVINFDIARDKETYTHRSGRTGRMGKEGCVITFVTHKEELKQLKKYATVAELVLHNQKLHLK |
| 1S2M Chain:A ((66-387)) | -----------------FEKPSPIQEEAIPVAITGRDILARAKNGTGKTAAFVIPTLEKVKPKLNKIQALIMVPTRELALQTSQVVRTLGKHCGISCMVTTGGTNLRDDILRLNETVHILVGTPGRVLDLASRKVADLSDCSLFIMDEADKMLSRDFKTIIEQILSFLPPTHQSLLFSATFPLTVKEFMVKHLHKPYEINLMEELTLKGITQYYAFVEERQKLHCLNTLFSKLQINQAIIFCNSTNRVELLAKKITDLGYSCYYSHARMKQQERNKVFHEFRQGKVRTLVCSDLLTRGIDIQAVNVVINFDFPKTAETYLHRIGRSGRFGHLGLAINLINWNDRFNLYKIEQELGTEIAAIPATIDK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1S2M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -196243 for 2524 contacts (-77.8/contact) +
2D Compatibility (PS) -33977 + (NN) -18199 + (LL) 1396
1D Compatibility (HY) -23600 + (ID) 4700
Total energy: -275323.0 ( -109.08 by residue)
QMean score : 0.545
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