Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLIRVNGEAFKLSLESLEEDPFETKETLETLETLIKQTSVVLLAAGESKRFSRAIKKQWLRSHHTPLWLSVYESFKEALDFKEVILVVSELDYVYIQRHYPKIKLVKGGASRQESVRNALKVIDSTYTITSDVARGLANMEALKSLFLTLQQTSHYCIAPYLPCYDTAIYYNEALDREAIKLIQTPQLSHTKTLQSALNQGGFKDESSAILQAFPNSVSYIEGSKDLHKLTTSGDLKFFTPFFNPAKDTFIGMGFDTHAFIKDKPMVLGGVVLDCEFGLKAHSDGDALLHAVIDAILGAIKGGDIGEWFPDNDPKYKNASSKELLKIVLDFSQSIGFELLEMGATIFSEIPKITPYKPAILENLSQLLGLEKSQISLKATTMEKMGFIGKQEGLLVQAHVSMRYKQKL |
3K2X Chain:B ((23-173)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DFRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLG--DADVLLHAITDALFGAAALGDIGRHFSDTDPR---ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K2X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -116837 for 1166 contacts (-100.2/contact) +
2D Compatibility (PS) -15990 + (NN) -8805 + (LL) 19396
1D Compatibility (HY) -7200 + (ID) 2850
Total energy: -132286.0 ( -113.45 by residue)
QMean score : 0.570
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