Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKALVKTREGHGNLELLDKEVATPLDDKVKIKVHYAGICGTDIHTYEGHYK----VNFPVTLGHEFSGEIVEVGADVKDFKVGDRVTSETTFYVCNECEYCKSKDYNLCNHRKGIGT-QVDGVFTNYVIAREESLHHIPDEVSYQSAAMTEPLACAHHGVSKIQVNSGDVAVVMGPGPIGLLVAQVLKSKGATVVVTGLDNDKVRLDKAEALHMDYVVN--LQQT---DLKTYINGITDGYGADVVVECSGAVPAARQGLDIIRKKGFYSQIGIFKDAEIPFDMEKVIQKEITVVGSRSQKPADWEPSLQLMADGLVNAEALVTKIYDISKWDEAYQHLKSG-E-GIKALLKPLDLDENEGEN |
| 1E3J Chain:A ((5-350)) | NLSAVLY--KQNDLRLEQRPIPEPKEDEVLLQMAYVGICGSDVHYYEHGRIADFIVKDPMVIGHEASGTVVKVGKNVKHLKKGDRVAVEPG-VPCRRCQFCKEGKYNLCPDLTFCATPPDDGNLARYYVHAADFCHKLPDNVSLEEGALLEPLSVGVHACRRAGVQLGTTVLVIGAGPIGLVSVLAAKAYGAF-VVC-TARSPRRLEVAKNCGADVTLVVDPAKEEESSIIERIRSAI-GDLPNVTIDCSGNEKCITIGINITRTGGTLMLVGMGSQ-MVTVPLVNACAREIDIKSVFR-YCNDYPIALEMVASGRCNVKQLVTHSFKLEQTVDAFEAARKKADNTIKVMISCR--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E3J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157035 for 3018 contacts (-52.0/contact) +
2D Compatibility (PS) -35796 + (NN) -7580 + (LL) 548
1D Compatibility (HY) -19200 + (ID) 4850
Total energy: -223913.0 ( -74.19 by residue)
QMean score : 0.510
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