Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLYLDGETLTIEDIKSFLQQQSKIEIIDDALERVKKSRAVVERIIENEETVYGITTGFGLFSDVRIDPTQYNELQVNLIRSHACGLGEPFSKEVALVMMILRLNTLLKGHSGATLELVRQLQFFINERIIPIIPQQGSLGASGDLAPLSHLALALIGEGKVLYRGEEKDSDDVLRELNRQPLNLQAKEGLALINGTQAMTAQGVISYIEAEDLGYQSEWIAALTHQSLNGIIDAYRHDVHSVRNFQEQINVAARMRDWLEGSTLTTRQAEI-----------------RVQDAYTLRCIPQIHGASFQVFNYVKQQLEFEMNAANDNPLIFEEANETFVISGGNFHGQPIAFALDHLKLGVSELANVSERRLERLVNPQLNGDLPAFLSPE-PGLQSGAMIMQYAAASLVSENKTLAHPASVDSITSSANQEDHVSMGTTAARHGYQIIENARRVLAIECVIALQAAELKGVEGLSPKTRRKYEEFRSIVPSITHDRQFHKDIEAVAQYLKQSIYQTTACH |
3UNV Chain:A ((32-530)) | ------GKDISLEEIARAARDHQPVTLHDEVVNRVTRSRSILESMVSDERVIYGVNTSMGGFVNYIVPIAKASELQNNLINAVATNVGKYFDDTTVRATMLARIVSLSRGNSAISIVNFKKLIEIYNQGIVPCIPEKGSLGKWSDLGPLAAIALVCTGQWKARYQGEQMSGAMALEKAGISPMELSFKEGLALINGTSAMVGLGVLLYDEVKRLFDTYLTVTSLSIEGLHGKTKPFEPAVHRMKPHQGQLEVATTIWETLADSSLAVNEHEVEKLIAEEMDGLVKASNHQIEDAYSIRCTPQILGPVADTLKNIKQTLTNELNSSNDNPLIDQTTEEVF--HNGHFHGQYVSMAMDHLNIALVTMMNLANRRIDRFMDKSNSNGLPPFLCAENAGLRLGLMGGQFMTASITAESRASCMPMSIQSLSTTGDFQDIVSFGLVAARRVREQLKNLKYVFSFELLCACQAVDIRGTAGLSKRTRALYDKTRTLVPYLEEDKTISDYIESIAQ------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UNV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -67112 for 4295 contacts (-15.6/contact) +
2D Compatibility (PS) -50444 + (NN) -9327 + (LL) 2424
1D Compatibility (HY) 3600 + (ID) 3150
Total energy: -124009.0 ( -28.87 by residue)
QMean score : 0.357
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