Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTYQAPDENGFYGKFGGRFVPETLMKAVKELDEAYQASKTDPAFQKELNYYLKEYVGRETPLYFAEQLTAHAGGAKIYLKREDLNHTGAHKINNTIGQALLARQMGKQKVVAETGAGQHGVATATVAALFNMKCTIFMGEEDVKRQSLNVFRMELLGAKVVSVKAGSRTLKDAVNEALRFWVANVEDTHYIMGSVLGPHPFPEIVRDYQSVIGIEARKQHLEKEGKLPDAIVACVGGGSNAMGLFYPFVDDASVQMHGVEAAGHGLETEFHAATISKGEIGILHGAMMDVLQDENGQILEAFSISAGLDYPGIGPEHSFFRDLGRAAYHSVTDDEAVEAFQLLCRTEGIIPALESSHAISYAVKLASKM-RPEESMVVCLSGRGDKDVNQLKERLEGQTND |
3CEP Chain:B ((5-393)) | --------NPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKNYAGRPTALTKCQNITA-GTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKAR--- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3CEP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -130989 for 3869 contacts (-33.9/contact) +
2D Compatibility (PS) -42635 + (NN) -19169 + (LL) 444
1D Compatibility (HY) -34400 + (ID) 10350
Total energy: -237099.0 ( -61.28 by residue)
QMean score : 0.519
|
|
|