Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYDFKVKLSSERERVEDLFEYEGCKVGRGTYGHVYKAKRKDGKDDKDYALKQIEGTGISMSACREIALLRELKHPNVISLQKVFLSHADRKVWLLFDYAEHDLWHIIKFHRASKANKKPVQLPRGMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQEDIKTSNPYHHDQLDRIFNVMGFPADKDWEDIKKMPEHSTLMKDFRRNTYTNCSLIKYMEKHKVKPDSKAFHLLQKLLTMDPIKRITSEQAMQDPYFLEDPLPTSDVFAGCQIPYPKREFLTEEEPDDKGDKKNQQQQQGNNHTNGTGHPGNQDSSHTQGPPLKKVRVVPPTTTSGGLIMTSDYQRSNPHAAYPNPGPSTSQPQSSMGYSATSQQPPQYSHQTHRY |
4BGQ Chain:A ((18-303)) | ------------------------GVVGEGAYGVVLKCRHKE--THEIVAIKKFK---VKETTLRELKMLRTLKQENIVELKEAFRR--RGKLYLVFEYVEKNMLELLEE--------MPNGVPPEKVKSYIYQLIKAIHWCHKNDIVHRDIKPENLLISH----NDVLKLCDFGFARNLSE-------------TRWYRSPELLLG-APYGKSVDMWSVGCILGELSDGQPLFPGESE---------IDQLFTIQKVLGPLPSEQMKLFYSNPRFHGL--RFPAVNHPQSLERRYL----GILNSVLLDLMKNLLKLDPADRYLTEQCLNHPTFQTQRL---------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BGQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154935 for 2049 contacts (-75.6/contact) +
2D Compatibility (PS) -28635 + (NN) -11896 + (LL) 5428
1D Compatibility (HY) -24000 + (ID) 4600
Total energy: -218638.0 ( -106.70 by residue)
QMean score : 0.474
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