Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADIPYGTDYPDAPWIDRDGHVLIDDGGKPTQVHRGQARIAYRLAERYQDKLLHVAGIGWHSWDGRRWAADDRGEAKRAVLAELRQALSDSLNDKELRADVRKCESASGVAGVLDLAAALVPFAATVADLDSDPHLLNVANGTLDLHTL-------KLRPHAPADRITKICRGAYQSDTESPLWQAFLTRVLPDEGVRGFVQRLAGVGLLGTVREHVLAILIGVGANGKSVFDKAIRYALGDYACTAEPDLFMHRENAHPTGEMDLRGVRWVAVSESEKDRRLAESTIKRLTGGDTIRARKMRQDFVEFTPSHTPLLITNHLPRVPGDD-------TAIWRRIRVVPFEVVIPADEQDRELDARLQLEADSILSWAVAGWSDYQRIGLSQPDAVLAATSNYREDSDTIKRFIDDECVTSSPVLKATTTHLFEAWQRWRVQEGVPEISRKAFGQSLDTHGYPVTDKARDGRWRAGIAVRGADDFDD |
1U0J Chain:A ((23-256)) | --------------------------------------------------------------------------------------------------------------------------------DQASYISFNAASNSRSQIKAALDNAGKIMSLTKTAPDYLVGQQPV--EDISSNRIYKILELNGYDPQYAASVFLGWATK----KFGKRNTIWLFGPATTGKTNIAEAIAHTVPFYGCVNWT--------NENFPFNDCVDKMVIWWEE-GKMTAKVVESAKAILGGSKVRV------SAQIDPTPVIVTSNTNMCAVIDGNSTTFEHQQPLQDRMFKFELTRRLDHD-----FGKVTKQEVKDFFRWAKDHVVE------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1U0J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -53147 for 1656 contacts (-32.1/contact) +
2D Compatibility (PS) -22627 + (NN) -6555 + (LL) 15804
1D Compatibility (HY) -2800 + (ID) 1350
Total energy: -70675.0 ( -42.68 by residue)
QMean score : 0.283
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