Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIKSQKEYLERIEYLNTLSHHYYNLDEPIVSDAVYDELYQELKAYEEENPNRIQANSPTQKVGATATNEFSKNPHLMRMWSLDDVFNQNELRAWLQRILK-VYPNASFVCSPKLDGVSLNLLYQHGKLISATTRGNGLEGELVTNNAKHIANIPHSIAYNGEIEIRGEVIISKEDFDALNKERLNANEPLFANPRNAASGSLRQLDSNITKKRKLQFIPWGVGKHSLHFLRFK-ECLDFIVSLGFSAIQYLSLNKNHQEIE---ENYHTLIREREGFFALLDGMVIVVDELDIQKELGYTQKSPKFACAYKFPALEKHTKIVGVINQVGRSGAITPVALLEPVEIAGAMVNRATLHNYSEIEKKNIMLNDRVVVIRSGDVIPKIIKPLESYRDGSQQKIMRPKVCPICSHELLCEEIFTYCQNLNCPARLKESLIHFASKDALNIQGLGDKVIEQLFEEKLIFNALDLYALKLEDLMRLDKFKIKKAQNLLDAIQKSKNPPLWRLINALGIEHIGKGASKTLAKYGLNVLEKSEAEFLEMEGFGVEMAHSLVNFYASNQEFIRSLFELLNPKSSDTAEEKQKSSSVFSDKTIVLTGTLSKPRQEYAQMLENLGAKIASSVSAKTDFLIAGENAGSKLALAQKHGVSVLNEEELLKRLKELD |
3BA9 Chain:A ((22-317)) | --------------LNQYSHEYYVKDQPSVEDYVYDRLYKELVDIETEFPDLITPDSPTQRVGGKVLSGFEKAPHDIPMYSLNDGFSKEDIFAFDERVRKAIGKPVAYCCELKIDGLAISLRYENGVFVRGATRGDGTVGENITENLRTVRSVPMRLTEPISVEVRGECYMPKQSFVALNEEREENGQDIFANPRNAAAGSLRQLDTKIVAKRNLNTFLYTVADFGPMKAKTQFEALEELSAIGFRTNPERQLCQSIDEVWAYIEEYH---EKRSTLPYEIDGIVIKVNEFALQDELGFTVKAPRWAIAYKFP------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BA9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -110757 for 2251 contacts (-49.2/contact) +
2D Compatibility (PS) -30451 + (NN) -5799 + (LL) 28480
1D Compatibility (HY) -19200 + (ID) 5750
Total energy: -143477.0 ( -63.74 by residue)
QMean score : 0.410
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