Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIEKSQACHDSLLDSVGQTPMVQLHQLFP--KHEVFAKLEYMNPGGSMKDRPAKYIIEHGIKHGLITENTHLIESTSGNLGIALAMIAKIKGLKLTCVVDPKISPTNLKIIKSYGANVEMVEEP-DAHGGYLMTRIAKVQELLATIDDAYWI-NQYANELNWQSHYHGAGTEIVETIKQPIDYFVAPVSTTGSIMGMSRKIKEGHPNAQIVAVDAKGSV-IFGDKPINRELPGIGASRVPEILNRSEINQVIHVDDYQSALGCRKLIDYEGIFAGGSTGSIIAAIEQLITSIE-EGATIVTILPDRGDRYLDLVYSDTWLEKMKSRQGVKSE |
2Q3B Chain:A ((4-303)) | -----MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSG-----AIAKAEELAKT-DQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYL--------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2Q3B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130426 for 2617 contacts (-49.8/contact) +
2D Compatibility (PS) -31905 + (NN) -9758 + (LL) 2568
1D Compatibility (HY) -17200 + (ID) 4800
Total energy: -191521.0 ( -73.18 by residue)
QMean score : 0.513
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