Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDYDFKAKLAAERERVEDLFEYEGCKVGRGTYGHVYKARRKDGKDEKEYALKQIEGTGISMSACREIALLRELKHPNVIALQKVFLSHSDRKVWLLFDYAEHDLWHIIKFHRASKANKKPMQLPRSMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLT-SEPIFHCRQEDIKTSNPFHHDQLDRIFSVMGFPADKDWEDIRKMPEYPTLQKDFRRTTYAN-SSLIKYMEKHKVKPDSKVFLLLQKLLTMDPTKRITSEQALQDPYFQEDPLPTLDVFAGCQIPYPKREFLNEDDPEEKGDKNQQQQQNQHQQPTAPPQQAAAPPQAPPPQQNSTQTNGTAGGAGAGVGGTGAGLQHSQDSSLNQVPPNKKPRLGPSGANSGGPVMPSDYQHSSSRLNYQSSVQGSSQSQSTLGYSSSSQQSSQYHPSHQAHRY |
| 4AU8 Chain:A ((11-293)) | -----------------------LEKIGEGTYGTVFKAKNRE--THEIVALKRV-----PSSALREICLLKELKHKNIVRLHDVLH-----KLTLVFEFCDQDLKKYFDSC-----N---GDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINR----NGELKLADFGLARAFGIPVR-----SAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDV---------DDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPM------YPATTSLV----NVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDF-------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AU8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179608 for 2168 contacts (-82.8/contact) +
2D Compatibility (PS) -28196 + (NN) -11525 + (LL) 6600
1D Compatibility (HY) -27600 + (ID) 5700
Total energy: -246029.0 ( -113.48 by residue)
QMean score : 0.273
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