Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNSAANIRSFELALLFLLVFVAVYFVYLAVRDFKMSKNIRLLNWKVRDLIAGNYSDSILIQGDADLVELGESLNDLSDVFRMAHDNLEQEKNRLASILTYMTDGVLATDRSGKIVMINETAQQQFNLAYDEALSMNIVDMLGSGSPYSFQDLVSKTPEVVLNRRDENGEFVTLRIRFALNRRESGFISGLVAVSHDATEQEKEERERRLFVSNVSHELRTPLTSVKSYLEALDEGALNEEVAPSFIKVSLDETNRMMRMISDLLSLSRIDNEVTHLDVEMTNFTAFMTSILNRFDQIRNQKTVTGKVYEIVRDYPLKSIWVEIDTDKMTQVIDNILNNAVKYSPDGGKITVNLRTTKTQMILSISDQGLGIPKKDLPLIFDRFYRVDKARSRQQGGTGLGLSIAKEIVKQHKGFIWAKSEYGKGSTFTIVLPYDKDAVTYEEWEDVED |
4I5S Chain:A ((37-432)) | -----------------------------------NNNQVKQLNAKVRSLITGHYTDKLKVEDNSDLSELVNNVNDLSEVFRLTHENLAQEKNRLTSILSYMTDGVLATDRSGKITVINDMAQKQLNVTREQALECNILDILDDDS-YTYNDLITKTPEIVLTRRDEYDEFITLRIRFALNRRESGFISGLIAVLHDATEQEKEERERRLFVSNVSHELRTPLTSVKSYLEALDDGALTESVAPSFIKVSLDETNRMMRMITDLLSLSR-----SHLDVELTNFTAFMNYILDRFDQIQSQQS-T----EIIRDYPDKSVWIEIDTDKMTQVIDNILNNAIKYSPDGGKVTITMQTTDTQLILSISDQGLGIPKKDLPLIFDRFYRVDKAR-------GLGLAIAKEIVKQHKGFIWANSEEGEGSTFTIVLP---------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4I5S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -103223 for 2698 contacts (-38.3/contact) +
2D Compatibility (PS) -40225 + (NN) -14398 + (LL) 5676
1D Compatibility (HY) -47200 + (ID) 14450
Total energy: -213820.0 ( -79.25 by residue)
QMean score : 0.409
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