Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MANKELKRGLGARHIQMIALGGTIGVGLFMGSASTISWTGPSVLLAYAICGIFIFFIMRAMGEMLYVEPSTGSFATFGHQYIHP-MAGYITAWSNWFQWIIVGMSEIIAVGSYTKYWF----PDLPAWIPGIVAMVILGAANLISVKSFGEFEFWFAMIKIVTIILMIIAGIGIIFFGFGNGGDAIGLSNLWSHGGFFAGGFSGFFFALSLVIAAYQGVELIGITAGEAKDPQNTLRNAIQSIIWRILIFYIGAIFVIVTVYPWDELN-SLGSPFVSTFSKIGITAAAGIINFVVITAAMSGCNSGIFSAGRMLYTLGVNGQAPKFFKKIS-RNGVPLYGTIAVLIGLAVGVVLNYIAPPKIFVYVYSASVLPGMIPWFIILISHIGFRKAKGAALDKHPFKMPFAPFTNYLTIAFLLMVLVGMWFNDDTRISLIVGVIFLALVVISYYVFGIGKRTQANLTKSEQAAE |
3GIA Chain:A ((3-435)) | ----LKNKKLSLWEAVSMAVGVMIGASIFSIFGVGAKIAGRNLPETFILSGIYALLVAYSYTKLGAKIVSNAGPIAFIHKAIGDNIITGALSILLWMSYVISIALFAKGFAGYFLPLINAPINTFNIAITEIGIVAFFTALNFFGSKAVGRAEFFIVLVKLLILGLFIFAGLITIH------------PSYVIPD-LAPSAVSGMIFASAIFFLSYMGFGVITNASEHIENPKKNVPRAIFISILIVMFVYVGVAISAIGNLPIDELIKASENALAVAAKPFLGNLGFLLISIGALFSISSAMNATIYGGANVAYSLAKDGELPEFFERKVWFKSTEGLYITSALGVLFALLF-----NMEGVASITSAVFMVIYL---FVILSHYILIDEVG-----GRKEIVIFSFIVVLGVFLLLLYYQWITN-----RFVFYGIIATFIGVLIFEIIYRKVTKRTFSNNMYVKS- |
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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) -488299 for 3974 contacts (-122.9/contact) +
2D Compatibility (PS) -42578 + (NN) 2849 + (LL) 1096
1D Compatibility (HY) -26800 + (ID) 3550
Total energy: -557282.0 ( -140.23 by residue)
QMean score : 0.350
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