Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIKSQKEYLERIEYLNTLSHHYYNLDEPIVSDAVYDELYQELKAYEEENPNRIQANSPTQKVGATA-TNEFSKNPHLMRMWSLDDVFNQNELRAWLQRILKVYP-NASFVCSPKLDGVSLNLLYQHGKLISATTRGNGLEGELVTNNAKHIANIPHSIA------YNGEIEIRGEVIISKEDFDALNKERLNANEPLFANPRNAASGSLRQLDSNITKKRKLQFIPWGVGKHSL-HFLRFKECLDFIVSLGFSAIQYLSLNKNHQEIEENYHTLIREREGFFALLDGMVIVVDELDIQKELGYTQKSPKFACAYKFPALEKHTKIVGVINQVGRSGAITPVALLEPVEIAGAMVNRATLHNYSEIEKKNIMLNDRVVVIRSGDVIPKIIKPLESYRDGSQQKIMRPKVCPICSHELLCEEIFTYCQNLNCPARLKESLIHFASKDALNIQGLGDKVIEQLFEEKLIFNALDLYALKLEDLMRLDKFKIKKAQNLLDAIQKSKNPPLWRLINALGIEHIGKGASKTLAKYGLNVLEKSEAEFLEMEGFGVEMAHSLVNFYASNQEFIRSLFELLNPKSSDTAEEKQKSSSVFSDKTIVLTGTLSKPRQEYAQMLENLGAKIASSVSAKTDFLIAGENAGSKLALAQKHGVSVLNEEELLKRLKELD |
1ZAU Chain:A ((12-328)) | --EVLRQWQALAEEVREHQFRYYVRDAPIISDAEFDELLRRLEALEEQHPELRTPDSPTQLVGGAGFATDFEPVDHLERMLSLDNAFTADELAAWAGRIHAEVGDAAHYLCELKIDGVALSLVYREGRLTRASTRGDGRTGEDVTLNARTIADVPERLTPGDDYPVPEVLEVRGEVFFRLDDFQALNASLVEEGKAPFANPRNSAAGSLRQKDPAVTARRRLRMICHGLGHVEGFRPATLHQAYLALRAWGLPVSEHTTLATDLAGVRERIDYWGEHRHEVDHEIDGVVVKVDEVALQRRLGSTSRAPRWAIAYKYPPE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ZAU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -112608 for 2390 contacts (-47.1/contact) +
2D Compatibility (PS) -31441 + (NN) -43 + (LL) 26532
1D Compatibility (HY) -16400 + (ID) 5550
Total energy: -139510.0 ( -58.37 by residue)
QMean score : 0.353
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