Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MITKFPDQWQDKLTQRQFDDLTDIQNKLFQAITDGDNILGISPTGTGKTLAYLFPTLLKLQPKKSQ-QLLILAPNSELAGQIFDVTKEWAEPLGLTAQLFLSGSSQKRQIERLKKGPEILIGTAGRVFELVKLKKIKMMNINTIVLDEFDELLGDSQYHFVDNIINRVPRDQQMIYISATNKLDNSKLADNTI----TIDLSDQ-KLDTIKHYYITVDKRERTDLLRK-FSNIPDFRGLVFFNSLSDLGACEERLQFNRASAVSLASDINIKFRKVILEKFKNHDISLLLGTDLVARGIDIDNLEYVINFDIARDKETYTHRSGRTGRMGKEGCVITFVTHKEELKQLKKYATVAELVLHNQKLHLK |
| 4BRU Chain:A ((21-342)) | -----------------FEKPSPIQEEAIPVAITGRDILARAKNGTGKTAAFVIPTLEKVKPKLNKIQALIMVPTRELALQTSQVVRTLGKHCGISCMVTTGGTNLRDDILRLNETVHILVGTPGRVLDLASRKVADLSDCSLFIMDEADKMLSRDFKTIIEQILSFLPPTHQSLLFSATFPLTVDEFMDKHLHKPYEINLMEELTLKGITQYYAFVEERQKLHCLNTLFSKLQINQAIIFCNSTNRVELLAKKITDLGYSCYYSHARMKQQERNKVFHEFRQGKVRTLVCSDLLTRGIDIQAVNVVINFDFPKTAETYLHRIGRSGRFGHLGLAINLINWNDRFNLYKIEQELGTEIAAIPATIDK |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -194458 for 2436 contacts (-79.8/contact) +
2D Compatibility (PS) -33619 + (NN) -12874 + (LL) 1396
1D Compatibility (HY) -23600 + (ID) 4750
Total energy: -267905.0 ( -109.98 by residue)
QMean score : 0.550
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