Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTYQAPDENGFYGKFGGRFVPETLMKAVKELDEAYQASKTDPAFQKELNYYLKEYVGRETPLYFAEQLTAHAGGAKIYLKREDLNHTGAHKINNTIGQALLARQMGKQKVVAETGAGQHGVATATVAALFNMKCTIFMGEEDVKRQSLNVFRMELLGAKVVSVKAGSRTLKDAVNEALRFWVANVEDTHYIMGSVLGPHPFPEIVRDYQSVIGIEARKQHLEKEGKLPDAIVACVGGGSNAMGLFYPFVDDASVQMHGVEAAGHGLETEFHAATISKGEIGILHGAMMDVLQDENGQILEAFSISAGLDYPGIGPEHSFFRDLGRAAYHSVTDDEAVEAFQLLCRTEGIIPALESSHAISYAVKLASKMRPEESMVVCLSGRGDKDVNQLKERLEGQTND |
1WDW Chain:B ((2-379)) | ----------WFGEFGGQYVPETLIEPLKELEKAYKRFKDDEEFNRQLNYYLKTWAGRPTPLYYAKRLTEKIGGAKIYLKREDLVHGGAHKTNNAIGQALLAKFMGKTRLIAETGAGQHGVATAMAGALLGMKVDIYMGAEDVERQKMNVFRMKLLGANVIPVNSGSRTLKDAINEALRDWVATFEYTHYLIGSVVGPHPYPTIVRDFQSVIGREAKAQILEAEGQLPDVIVACVGGGSNAMGIFYPFVNDKKVKLVGVEAGGKGLESGKHSASLNAGQVGVFHGMLSYFLQDEEGQIKPTHSIAPGLDYPGVGPEHAYLKKIQRAEYVTVTDEEALKAFHELSRTEGIIPALESAHAVAYAMKLAKEMSRDEIIIVNLSGRGDKDLD------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WDW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -152353 for 3654 contacts (-41.7/contact) +
2D Compatibility (PS) -41894 + (NN) -20768 + (LL) 940
1D Compatibility (HY) -40800 + (ID) 11850
Total energy: -266725.0 ( -73.00 by residue)
QMean score : 0.513
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