Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPQDMSQFLQVFFEETEEHLATLELLLIGLDLDRPDSETLHGIFRAAHSIKGSSGMFGFDDITAVTHELETLLDRIRCGQMHLRPDMISSFLEARDVLQRLLDAHRSGRPDPGVPLLETVERLRGWLRVPEQEAAEEGFGLFDDAPARETADDDAFGFFDEGPGAPERAAAPEAFGLFDEAPGAPAASEAFGLFDEAPGSPPAEERAFGLFDGAPGSPAAPSAPAQAVAAPARGAVAPVRGDGESGSIRVSVEKIDSLINLVGELVITQAMLGQLGEQLDPSRHERLQHALAQLEHNTRDLQESVMSIRMLPINFIFSRFPRLVRDTATRLGKQVELHLHGEHTELDKSVIEKLSDPLTHIVRNSIDHGIETPAERLAAGKPASGTVKLAASHQGGSVVVEVSDDGRGLSRPRILAKARERNLPVH---DGMSDAEVWQLVFMPGFSTAETVTELSGRGVGMDVVKRNIGAMGGRIDIDSAPGMGTRIGIRLPLTLAILDGLIVAVEAVNYVIPLTYIVESLQARSDDVRGLGGEDNAMIRVRGEYLPLFSLHELLRIGGEAPAPEQGIVVILESEGRSFALQVDELVGQQQVVIKSLEQNFRRVEGIAGATIMGDGSVALILDVDALPRLAAREDTADERH |
2CH4 Chain:A ((1-320)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSHMVPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLHLLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGIDKEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSTKEKVSEVSGRGVGMDVVKNVVESLNGSISIESEKDKGTKVTIRLPLTLAIIQALLVKVNNLVYAIPIANIDTILSISKEDIQRVQD--RDVIVIRGEVIPVYRLWEVLQIEHK-EELEEMEAVIVRVGNRKYGIVVDDLLGQDDIVIKSLGKVFSEVKEFSGAAILGDGSIALIINVSGIV------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CH4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -213293 for 2371 contacts (-90.0/contact) +
2D Compatibility (PS) -33307 + (NN) -4292 + (LL) 19184
1D Compatibility (HY) -38400 + (ID) 6850
Total energy: -276958.0 ( -116.81 by residue)
QMean score : 0.404
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