Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLQRIYLDNNATTRIDPKVKEIMDPFLRDHYGNPSSLHQFGTETHPAIAEALDKLYKGINARDIDDVIITSCATESNNWV-------------LKGVYFDECLKK--GKNHIITTVAEHPAVRSTCNFL-ESLGVEVTYLPINE-HGSITADQVKEAITEKTALVSVMWANNETGLIFPIEEIGAICKE----------KGVLFHTDAVQAIGKIPVDVLKANVDFLSFSAHKFHGPKGIGGLYIRSGVG-LTP----LFHGGEHMNGRRSGTLNVPYIVGMGEAMKLAVEHLDYEKEVVGKLRDKLEEALLKIPDVMVVGDRVH---------RVPNTTLISVRGIEGEAMLWDLNRSNIAASTGSACASEDLEANPVMVAIGASKELAHTAIRLSLSRFNTEAEIDKTIEVFSQAAVRLRNISSSY |
3A9X Chain:A ((18-428)) | --RKVYMDYNATTPLEPEVIQAVTEAMKEAWGNPSSSYVAGRKAKDIINTARASLAKMIGGKP-QDIIFTSGGTESNNLVIHSTVRCFHEQQTLQG---------EGTRPHFITCTVEHDSIRLPLEHLVEDQVAEVTFVPVSKVNGQVEVEDILAAVRPTTCLVTIMLANNETGVIMPISEISRRIKALNQIRAASGLPRVLVHTDAAQALGKRRVDVEDLGVDFLTIVGHKFYGPR-IGALYVR-GVGKLTPLYPMLFGGGQERN-FRPGTENTPMIAGLGKAADLVSENCETYEAHMRDIRDYLEERL-----EAEFGKRIHLNSRFPGVERLPNTCNFSIQGSQLRGYMVLAQCQTLLASVGA------------------PVDVARNAVRLSVGRSTTRAEVDLIVQDLKQAVNQLEGPV--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A9X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155494 for 2940 contacts (-52.9/contact) +
2D Compatibility (PS) -36808 + (NN) -8855 + (LL) 2932
1D Compatibility (HY) -21200 + (ID) 7050
Total energy: -226475.0 ( -77.03 by residue)
QMean score : 0.544
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