Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAELKLEHIKKTYDNNNTVVKDFNLHITDKEFIVFVGPSGCGKSTTLRMVAGLESITSGDFYIDGERMNDVEPKNRDIAMVFQNYALYPHMTVFENMAFGLKLRKVNKKEIEQKVNEAAEILGLTEYLGRKPKALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVQMRTEILKLHKRLNTTTIYVTHDQTEALTMASRIVVLKDGDIMQVGTPREIYDAPNCIFVAQFIGSPAMNML-NATVEMDG----LKVGTHHFKLHNKKFEKLKAAGYLDKEIILGIRAED--IHEEPIFIQTSPETQFESEVVVSELLGSEIMVHSTFQGMELISKL-DSRTQVMTNDKITLAFDMNKCHFFDEKTGNRIV |
2YYZ Chain:A ((2-359)) | -PSIRVVNLKK-YFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIPPKYREVGMVFQNYALYPHMTVFENIAFPLRARRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSPKNMFVASFIGNPPTNFLRDFSVSVENKQTILKRDDVIIKLPEPVDVKL-------KEVVVGIRPEHCRISRERV------ENSIPGVVYVVEPLGRDIIVNVKTEKGEIIKVFGDTGKAPQPGENVFLVPDLRKIHLFNPETEETIL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YYZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -203007 for 2731 contacts (-74.3/contact) +
2D Compatibility (PS) -38065 + (NN) -9070 + (LL) 972
1D Compatibility (HY) -37200 + (ID) 8100
Total energy: -294470.0 ( -107.82 by residue)
QMean score : 0.526
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