Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLTKGLGILLASSLVLGLAACGGGSDDKALSTEKITIGTTAGPH-QQIAEEVQKLAKKDGLEIKIKTFDDYNTPNTALNDGDLDANNYQTIPFLEQQKKDKGYKLDVAFKTVAFPMGIYSNDIKDLKNLKKGDKIAVPNDPSNEYRGLKLFEDAGVIKLKDGVEE-KATKKDIAENPLDLEIVELEASQIPAQLDEVAAAAINTNFAMGAGLSINKDAIYHEPTKDNPYPNVFVVRSANKDDEVVKTLEKYYHSDEVKAFIEKEFNGSVVPAF |
3IR1 Chain:E ((1-237)) | ----------------------------------KEIVFGTTVGDFGDMVKEQIQPELEKKGYTVKLVEFTDYVRPNLALAEGELDINVFQHKPYLDDFKKEHNLDITEVFQVPTAPLGLYPGKLKSLEEVKDGSTVSAPNDPSNFARVLVMLDELGWIKLKDGINPLTASKADIAENLKNIKIVELEAAQLPRSRADVDFAVVNGNYAISSGMKLT-EALFQEPS--FAYVNWSAVKTADKDSQWLKDVTEAYNSDAFKAYAHKRFEGYKSPA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IR1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -37993 for 1967 contacts (-19.3/contact) +
2D Compatibility (PS) -25328 + (NN) -12207 + (LL) 1892
1D Compatibility (HY) -16000 + (ID) 4500
Total energy: -94136.0 ( -47.86 by residue)
QMean score : 0.530
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