Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKRIINNVFAREILDSRGYPTVEVEIELCDGATGRASVPSGASTGKLEALELRDQDEKRYCGKGVLKAVKAVNGVIANAIIGMDAADQSTIDKALIELDGTRNKSKLGANATLGVSLASAKAAANSFKMPLYRYLGGEQANVMPFPLINIINGGVHADNKLDFQEFMILPIGAEAFSEAIRMSAEVFHNLRSILRKRGYSTNVGDEGGFAPNIESTEEALDLIVHAIESASYSTQNHFALGLDVASSTFYKNKIYKFA------NKELTSEELVEYYYNLVEKYPITSMEDAMSEDDYEGWKLLTAKLGSKVQLVGDDLFVTNCELIRKGIEEKMANAVLIKPNQIGTLTETFTAIGMTKSGGYKAVISHRSGETEDTTISHIAIASNCGQIKTGSLSRSDRLAKYNELIRIEGTLERNAKYYYGLAWTS |
1W6T Chain:A ((11-440)) | --MSIITDVYAREVLDSRGNPTLEVEVYTESGAFGRGMVPSG---GEHEAVELRDGDKSRYGGLGTQKAVDNVNNIIAEAIIGYDVRDQQAIDRAMIALDGTPNKGKLGANAILGVSIAVARAAADYLEIPLYSYLGGFNTKVLPTPMMNIINGGSHSDAPIAFQEFMILPVGAPTFKEALRYGAEIFHALKKILKSRGLETAVGDEGGFAPRFEGTEDGVETILAAIEAAGYVPGKDVFLGFDCASSEFYDRKVYDYTKFEGEGAAVRTSAEQIDYLEELVNKYPIITIEDGMDENDWDGWKALTERLGKKVQLVGDDFFVTNTDYLARGIQEGAANSILIKVNQIGTLTETFEAIEMAKEAGYTAVVSHRSGETEDSTIADIAVATNAGQIKTGSLSRTDRIAKYNQLLRIEDQLGEVAEYRGLKSFYN |
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General information:
TITO was launched using:
| RESULT:
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Template: 1W6T.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -189527 for 3997 contacts (-47.4/contact) +
2D Compatibility (PS) -45010 + (NN) -17774 + (LL) 428
1D Compatibility (HY) -39600 + (ID) 12150
Total energy: -303633.0 ( -75.97 by residue)
QMean score : 0.468
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