Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLIRVNGEAFKLSLESLEEDPFETKETLETLETLIKQTSVVLLAAGESKRFSRAIKKQWLRSHHTPLWLSVYESFKEALDFKEVILVVSELDYVYIQRHYPKIKLVKGGASRQESVRNALKVIDSTYTITSDVARGLANMEALKSLFLTLQQTSHYCIAPYLPCYDTAIYYNEALDREAIKLIQTPQLSHTKTLQSALNQGGFKDESSAILQAFPNSVSYIEGSKDLHKLTTSGDLKFFTPFFNPAKDTFIGMGFDTHAFIKDKPMVLGGVVLDCEFGLKAHSDGDALLHAVIDAILGAIKGGDIGEWFPDNDPKYKNASSKELLKIVLDFSQSIGFELLEMGATIFSEIPKITPYKPAILENLSQLLGLEKSQISLKATTMEKMGFIGKQEGLLVQAHVSMRYKQKL |
3IKE Chain:B ((6-156)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DFRIGQGYDVHQLVPGRPLIIGGVTIPYERGLL---DADVLLHAITDALFGAAALGDIGRHFSDTDPRF--ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IKE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -119015 for 1167 contacts (-102.0/contact) +
2D Compatibility (PS) -16020 + (NN) -8765 + (LL) 19448
1D Compatibility (HY) -7600 + (ID) 2850
Total energy: -134802.0 ( -115.51 by residue)
QMean score : 0.576
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