Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MWETKFAKEGLTFDDVLLVPAKSDVLPNDVDLSVEMAPSLKLNVPIWSAGMDTITEAKMAIAIARQGGIGVVHKNMSIEQQAEEIEKVKRSESGVIIDPFYLTPDHQVFAAEHLMGKYRISGVPIVNNEKERKLVGILTNRDLRFISDYSTVIKDVMTKENLVTAPVGTTLKQAEQILQKHRIEKLPLVDEAGILKGLITIKDIEKVIEFPNSAKDKHGRLLAAAAVGITNDTFVRVEKLIEAGVDAIVIDTAHGHSAGVINKISEIRQTFKDVVIVAGNVATAEGARALFEVGVDIVKVGIGPGSICTTRVVAGVGVPQITAIYDCATVAREFGKTIIADGGIKYSGDIVKALAAGGNAVMLGSMLAGTDESPGETEIFQGRQFKTYRGMGSLAAMEHGSKDRYFQADAKKLVPEGIEGRVPYKGSVADIIFQLVGGIRSGMGYTGSPDLRHLREEAAFVRMTGAGLRESHPHDIQITKEAPNYSIS |
1VRD Chain:A ((2-457)) | -------KEALTFDDVLLVPQYSEVLPKDVKIDTRLTRQIRINIPLVSAAMDTVTEAALAKALAREGGIGIIHKNLTPDEQARQVSIVKKT----------------------------------------------------------------------------------------------------------------IMSVIEHPNAARDEKGRLLVGAAVGTSPETMERVEKLVKAGVDVIVIDTAHGHSRRVIETLEMIKADYPDLPVVAGNVATPEGTEALIKAGADAVKVGVGPGSICTTRVVAGVGVPQLTAVMECSEVARKYDVPIIADGGIRYSGDIVKALAAGAESVMVGSIFAGTEEAPGETILYQGRKYKAYRGMG-------------------------IEGMVPYKGTVKDVVHQLVGGLRSGMGYIGARTIKELQEKAVFVKIT------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1VRD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -198352 for 2926 contacts (-67.8/contact) +
2D Compatibility (PS) -35063 + (NN) -12142 + (LL) 11740
1D Compatibility (HY) -35200 + (ID) 9550
Total energy: -278567.0 ( -95.20 by residue)
QMean score : 0.535
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