Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLALLVLVTVALASAHHGGEHFEGEKVFRVNVEDENHINIIRELASTT--QIDFWKPDSVTQIKPHSTVDFRVKAEDTVTVENVLKQNELQYKVLISNLRNVVEAQFDSR-------VRATGHSYEKYNKWETIEAWTQQVATENPALISRSVIGTTFEGRAIYLLKVGKAGQNKPAIFMDCGFHAREWISPAFCQWFVREAVRTYGREIQVTELLDKLDFYVLPVLNIDGYIYTWTKSRFWRKTRSTHTGSSCIGTDPNRNFDAGWCEIGASRNPCDETYCGPAAESEKETKALADFIRNKLSSIKAYLTIHSYSQMMIYPYSYAYKLGENNAELNALAKATVKELASLHGTKYTYGPGATTIYPAAGGSDDWAYDQGIRYSFTFELRDTGRYGFLLPESQIRATCEETFLAIKYVASYVLEHLY |
1PCA Chain:A ((2-403)) | ------------------KEDFVGHQVLRISVDDEAQVQKVKELEDLEHLQLDFWRGPA----RPGFPIDVRVPFPSIQAVKVFLEAHGIRYTIMIEDVQLLLDEEQEQMFASQGRARTTSTFNYATYHTLEEIYDFMDILVAEHPALVSKLQIGRSYEGRPIYVLKFSTGGSNRPAIWIDSGIHSREWITQASGVWFAKKITENYGQNSSFTAILDSMDIFLEIVTNPNGFAFTHSDNRLWRKTRSKASGSLCVGSDSNRNWDAGFGGAGASSSPCAETYHGKYPNSEVEVKSITDFVKNN-GNIKAFISIHSYSQLLLYPYGYKTQSPADKSELNQIAKSAVAALKSLYGTSYKYGSIITVIYQASGGVIDWTYNQGIKYSFSFELRDTGRRGFLLPASQIIPTAQETWLALLTIMEHTLNNS- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PCA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176626 for 3485 contacts (-50.7/contact) +
2D Compatibility (PS) -42816 + (NN) -21499 + (LL) 3016
1D Compatibility (HY) -31600 + (ID) 8150
Total energy: -277675.0 ( -79.68 by residue)
QMean score : 0.772
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