Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------MTKQNNRMTIYYKEENLKKYEALKSFFEADEH----ISSMTTSATFLFLVDICYQLFIESNSGQSYSERLKQFLNSKNSDVEELKNKVKLVSRQLDQLLYL---------ELTNFHALT----KGNDFDIQDLESVHSRFDPM-QHELIARIDDIIKEDVARGQAMKHSH |
2HRA Chain:A ((19-198)) | MPSTLTINGKAPIVAYAELIAARIVNALAPNSIAIKLVDDKKAPAAKLDDATEDVFNKITSKFAAIFDNGDKEQVAKWVNLAQKELVIKNFAKLSQSLETLDSQLNLRTFILGGLKYSAADVACWGALRSNGMCGSIIKNKVDVNVSRWYTLLEMDPIFGEAHDFLSKSLLELKKSANVG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HRA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -12743 for 1035 contacts (-12.3/contact) +
2D Compatibility (PS) -15380 + (NN) 1670 + (LL) 0
1D Compatibility (HY) -400 + (ID) 750
Total energy: -27603.0 ( -26.67 by residue)
QMean score : 0.284
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