Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKRIINNVFAREILDSRGYPTVEVEIELCDGATGRASVPSGASTGKLEALELRDQDEKRYCGKGVLKAVKAVNGVIANAIIGMDAADQSTIDKALIELDGTRNKSKLGANATLGVSLASAKAAANSFKMPLYRYLGGEQANVMPFPLINIINGGVHADNKLDFQEFMILPIGAEAFSEAIRMSAEVFHNLRSILRKRGYSTNVGDEGGFAPNIESTEEALDLIVHAIESASYSTQNHFALGLDVASSTFYKNKIY--KFANKELTSEELVEYYYNLVEKYPITSMEDAMSEDDYEGWKLLTAKLGSKVQLVGDDLFVTNCELIRKGIEEKMANAVLIKPNQIGTLTETFTAIGMTKSGGYKAVISHRSGETEDTTISHIAIASNCGQIKTGSLSRSDRLAKYNELIRIEGTLERNAKYYYGLAWTS |
4YWS Chain:B ((4-418)) | ----LIEAIVAREVLDSRGNPTIEVDVRLESGDVGRAIVPSG----------LRDGDKSRYNGKGVLKAVQAVNEDIAEALIGFDAADQIALDQELIALDGTPNKSKLGANAILGVSLAAAKAAAAAFGLPLYRYLGGVYAHVLPVPMMNIMNGGQHAT---DFQEFMIMPVGAESFREGLRWGAEIYHMLKKVIHDR--------EGGFAPSL-TNDAPLQLIMEAIEKAGYRPGEQIVIALDPATTEIF----YHLK-EGR--SSAEMVDYWVDLVNRYPIISLEDGLAEDDWEGWALL-AKLGDRVQLVGDDFLVTNVQRLQRAIEAKAANSILIKLNQIGSLTETLSAIQLAQRSGWTAVVSHRSG-SEDVTIADLVVATNAGQIKTGAPA-TDRIAKYNQLLRIEEELGSAARYAGRSAFKV |
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General information:
TITO was launched using:
| RESULT:
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Template: 4YWS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -206555 for 3356 contacts (-61.5/contact) +
2D Compatibility (PS) -41046 + (NN) -15941 + (LL) 2180
1D Compatibility (HY) -42800 + (ID) 10950
Total energy: -315112.0 ( -93.90 by residue)
QMean score : 0.496
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