Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKGDVLEAAPTTTAYHSLMDEYGYEVGKAIGHGSYGSVYEAFYTKQKVMVAVKIISKKKASDDYLNKFLPREIQVMKVLRHKYLINFYRAIESTSRVYIILELAQGGDVLEWIQRYGACSEPLAGKWFSQLTLGIAYLHSKSIVHRDLKLENLLLDKWENVKISDFGFAKMVPSNQPVGCSPSYRQVNCFSHLSQTYCGSFAYACPEILRGLPYNPFLSDTWSMGVILYTLVVAHLPFDDTNLK--KLLRETQKEVTFPANHTISQECKNLILQMLRQ-ATKRATILDIIKDSWVLKFQPEQPTHEIRLLEAMCQLHNTTKQHQSLQITT |
2YEX Chain:A ((8-269)) | -----------------------DWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVD-CP-ENIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNN-------------RERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLK------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YEX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -144741 for 2062 contacts (-70.2/contact) +
2D Compatibility (PS) -26938 + (NN) -5529 + (LL) 3996
1D Compatibility (HY) -16400 + (ID) 4250
Total energy: -193862.0 ( -94.02 by residue)
QMean score : 0.394
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