Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLIRIGTRGSSLAIAQALEAKQKLLDLFSSLSVEIIKIKTSGDKYANANLAEIGGKGLFIKEIETELIKSNIDMAVHSLKDVPAFFSKDLTIPCILERLSPYDTFISNKY---KSLKSLPQQAIIATSSIRRKVQLLNFRPDLNIVPLRGNVTTRLQN----QSFDGIILAEAGLIRLKKDYLITEVLSPKTMLSAVGQGAICIQCRKNDIKIIDLLEKINNNKSFIRVKSERSFMKTVNGSCFTPLAALAKYVSENVLHLYCMLA--DKKNIYFTERTS-----------------------------FVEDAEKMGMDAGLELKSKCL |
| 3ECR Chain:A ((22-349)) | RVIRVGTRKSQLARIQTDSVVATLKASYPGLQFEIIAM-------------------LFTKELEHALEKNEVDLVVHSLKDLPTVLPPGFTIGAICKRENPHDAVVFHPKFVGKTLETLPEKSVVGTSSLRRAAQLQRKFPHLEFRSIRGNLNTRLRKLDEQQEFSAIILATAGLQRMGWHNRVGQILHPEECMYAVGQGALGVEVRAKDQDILDLVGVLHDPETLLRCIAERAFLRHLE--CSVPVAVHTAMKD-GQLYLTGGVWSLDGSDSIQETMQATIHVPAQHEDGPEDDPQLVGITARNIPRGPQLAAQNLGISLANLLLSKGA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ECR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136741 for 2169 contacts (-63.0/contact) +
2D Compatibility (PS) -29607 + (NN) -15633 + (LL) 204
1D Compatibility (HY) -16800 + (ID) 4600
Total energy: -203177.0 ( -93.67 by residue)
QMean score : 0.417
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