Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEQKQSKSVAIWLFLCSIMIVLMVGIGGFTRLSKAGLSITEWNPITGAFPPLNERDWLQEKSKYETTPEYKTFNYGMSMEEFRTLYLIEYVHRLFARLTGLIFILPFIYFTLKKRISKKVVIRLSIALSFGVLQAFTGWYMVKSGLVAKPHVSHYMLTLHLLLALVIFALLSYQFFNYQVRQKQTKLKISGSTVHYVGIILILIVVQIIFGAFVAGLNAGLIYNTFPLMGGHIIPKDLFFLQPTWLNIFENRATVQFIHRTLALLILVLTTVLTIKNASVKSVYVMLLSVIIQIILGVVTLLLHIPITIAISHQMFSFILFGSGLCFLCYLRKQN |
2K85 Chain:A ((26-66)) | ----------------------------------------------------HNENWLSVSRKMQASPEYQDYVYLEGTQKAKKLFL-QHIHRLKHE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2K85.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -2317 for 230 contacts (-10.1/contact) +
2D Compatibility (PS) -4406 + (NN) -1489 + (LL) 28348
1D Compatibility (HY) -2800 + (ID) 600
Total energy: 16736.0 ( 72.77 by residue)
QMean score : 0.230
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