Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTYQAPDENGFYGKFGGRFVPETLMKAVKELDEAYQASKTDPAFQKELNYYLKEYVGRETPLYFAEQLTAHAGGAKIYLKREDLNHTGAHKINNTIGQALLARQMGKQKVVAETGAGQHGVATATVAALFNMKCTIFMGEEDVKRQSLNVFRMELLGAKVVSVKAGSRTLKDAVNEALRFWVANVEDTHYIMGSVLGPHPFPEIVRDYQSVIGIEARKQHLEKEGKLPDAIVACVGGGSNAMGLFYPFVDDASVQMHGVEAAGHGLETEFHAATISKGEIGILHGAMMDVLQDENGQILEAFSISAGLDYPGIGPEHSFFRDLGRAAYHSVTDDEAVEAFQLLCRTEGIIPALESSHAISYAVKLASKM-RPEESMVVCLSGRGDKDVNQLKERLEGQTND |
2CLL Chain:B ((5-393)) | --------NPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKNYAGRPTALTKCQNITA-GTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKAR--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CLL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -137293 for 3805 contacts (-36.1/contact) +
2D Compatibility (PS) -42602 + (NN) -18251 + (LL) 444
1D Compatibility (HY) -34400 + (ID) 10350
Total energy: -242452.0 ( -63.72 by residue)
QMean score : 0.531
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