Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPSRNILVINCGSSSIKFALVNEAHSLFPLHGLAERLGSRDAVLRWKR-GGDSDSLMIPNADHRAALAQLLP-MVQNAAG-----GKLHGIGHRVVHGGELFTHATRIDDRVVEAIRATAPLAPLHNPANLQGIEAAMTLFPKLPHVAVFDTAFHQSLPEHAYRYALPEALYREHGVRRYGFHGTSHRYVSHRAAEMAGLAVGDSSWLSAHLGNGSSTCAIVNGQSLDTSMGLTPLEGLVMGTRSGDVDPNLHSHLARTLGWSLERIDSMLNNESGLLGLSDLSNDMRTLEQEREQGHPGAALAIEVFCYRLAKSLAAMSCALPQLDGVIFTGGIGENSPLVRAKTAAHLRLFDLRLDQEANARCVRGVAGPIQAA-GHPRVLVIPTNEERQIALDTLALLD |
1TUU Chain:A ((2-397)) | ----KVLVINAGSSSLKYQLIDMTNESALAVGLCERIGIDNSIITQKKFDGKKLEKLTDLPTHKDALEEVVKALTDDEFGVIKDMGEINAVGHRVVHGGEKFTTSALYDEGVEKAIKDCFELAPLHNPPNMMGISACAEIMPGTPMVIVFDTAFHQTMPPYAYMYALPYDLYEKHGVRKYGFHGTSHKYVAERAALMLGKPAEETKIITCHLGNGSSITAVEGGKSVETSMGFTPLEGLAMGTRCGSIDPAIVPFLMEKEGLTTREIDTLMNKKSGVLGVSGLSNDFRDLDEAASKGNRKAELALEIFAYKVKKFIGEYSAVLNGADAVVFTAGIGENSASIRKRILTGLDGIGIKIDDEKNK--IRGQEIDISTPDAKVRVFVIPTNEELAIARETKEIVE |
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General information:
TITO was launched using:
| RESULT:
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Template: 1TUU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191504 for 3377 contacts (-56.7/contact) +
2D Compatibility (PS) -42177 + (NN) -17422 + (LL) 296
1D Compatibility (HY) -28000 + (ID) 8500
Total energy: -287307.0 ( -85.08 by residue)
QMean score : 0.504
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