Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNKIGFLAVFALVISSQIGSGIFMLPISLAPYSTYSLISWAISGFGAVSLALVFATLCAKFPETGGPHVYVKHAFGP---TAAFFVGWTYWVISWVSTTALIVVG-VGYLTPFLHEEIKNIHLFL-ELLLFTIITLINLRGVATAGRVEFLLTVIKIAVLLAIPVMALFFFN-----RNNFIISKEMSSLTISQILARSTLLTLWCFVGVELATAPAGSVNNPAKTIPRAVVLGTICVAIIYF------INNFAIMGLING--NDLANSRAPYVDAIKIMFSGNW-HLIISIVAFVFCVGSLNAWVLSSGQVAFGLAKDRLMPQLFAKRNEHGSPFWGITTSSSGTAILLILTSNNNFAQQITSIIDFSVVSFLFVYLACSLAFLKVVIKERNYHKLLTGSIATTFCCWVILETSINTLLIASLFTTSGIPLYLFWYRRASAQ |
3GIA Chain:A ((44-315)) | ---------------------------------------TFILSGIYALLVAYSYTKLGAKIVSNAGPIAFIHKAIGDNIITGALSI--LLW-MSYVISIALFAKGFAGYFLPLINAPINTFNIAITEIGIVAFFTALNFFGSKAVGRAEFFIVLVKLLIL------GLFIFAGLITIHPSYVI-PDLAPSAVSGMIFASAIFFL-SYMGFGVITNASEHIENPKKNVPRAIFISILIVMFVYVGVAISAIGNLPIDELIKASENALAVAAKPFL--------GNLGFLLISIGALFSISSAMNATIYGGANVAYSLAKDGELPEFFERKVWFKSTEGLYITSALGVLFALLFNMEGVASITSAVFMVIYLFVILSHYILIDEVGGRKEIVIFSFIVVLGVFLLLLYYQWITNRFVFYGIIATFIGVLIFEIIYRKVTKRTFSN |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GIA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173490 for 1783 contacts (-97.3/contact) +
2D Compatibility (PS) -25958 + (NN) -8865 + (LL) 5020
1D Compatibility (HY) -31600 + (ID) 3800
Total energy: -238693.0 ( -133.87 by residue)
QMean score : 0.200
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