Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKGDVLEAAPTTTAYHSLMDEYGYEVGKAIGHGSYGSVYEAFYTKQKVMVAVKIISKKKA-SDDYLNKFLPREIQVMKVLRHKYLINFYRAIESTSRVYIILELAQGGDVLEWIQRYGACSEPLAGKWFSQLTLGIAYLHSKSIVHRDLKLENLLLDKWENVKISDFGFAKMVPSNQPVGCSPSYRQVNCFSHLSQTYCGSFAYACPEILRGLPYNPFLSDTWSMGVILYTLVVAHLPFDDTNLKKLLRETQKEVTFPANHTISQECKNLILQMLR-QATKRATILDIIKDSWVLKFQPEQPTHEIRLLEAMCQLHNTTKQHQSLQITT |
3AQV Chain:A ((13-272)) | ------------------------YVLGDTLGVGTFGKVKIGEHQLTGHKVAVKILNRQKIRSLDVVGK-IKREIQNLKLFRHPHIIKLYQVISTPTDFFMVMEYVSGGELFDYICKHGRVEEMEARRLFQQILSAVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGE----------------FL------PNYAAPEVISGRLYAGPEVDIWSCGVILYALLCGTLPFDDEHVPTLFKKIRGGVFYIPEY-LNRSVATLLMHMLQVDPLKRATIKDIREHEW---FKQDLPSYLFPE--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164816 for 1961 contacts (-84.0/contact) +
2D Compatibility (PS) -26799 + (NN) -7945 + (LL) 4448
1D Compatibility (HY) -24400 + (ID) 4450
Total energy: -223962.0 ( -114.21 by residue)
QMean score : 0.459
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