Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGKHLVEKMEIFKGNSKREIHKKIQLVTNEPYKITDERVTKLGIFKKQYEVTAVIMSEVAIADGRMDFQETFQKSVVKTRPKTDDLLKKEKLLEMLAAGAELAQSTPLLEERKTQEEELSSMRLELAALNRELAVKMREEREQNSDFVKFLKGRGISDTYVADFMQAGRKQFKQVE----TAHLDDITDWFVPYLSGKLAVEDSF---DLSGHRIISLIGQTGVGKTTTLVKLGWQLLKQNRTVGFITTDTFRSGAVEQFQGYADKLDVELIVATS---PAEL-EEAVQYMTYVNCVDHILIDTVGRNYLA--EESVSEISAYTDVVHPDLTCFTFSSGMKSADVMTILPKLA-EIPIDGFIITKMDETTRIGDLYTVMQETNLPVLYMTDGQNITENIFRPKSRWLAERFVGTDRRQVVE |
| 3KL4 Chain:A ((25-315)) | --------------------------------------------------------------------------------------------------------------------------------------------DEFIKDLQKSLISSDVNVKLVFSLTAKIKERLNKEKPPSVLERKEWFISIVYDELSKLFGGDKEPNVNPTKLPFIIMLVGVQGSGKTTTAGKLAYFYKKRGYKVGLVAADVYRPAAYDQLLQLGNQIGVQVYGEPNNQNPIEIAKKGVDIFV-KNKMDIIIVDTAGRHGYGEETKLLEEMKEMYDVLKPDDVILVIDASIGQK-AYDLASRFHQASPIGSVIITKMDGTAKGGGALSAVVATGATIKFIGTGEKI-DELETFNAKRFVSRILGMG------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KL4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146099 for 2108 contacts (-69.3/contact) +
2D Compatibility (PS) -27495 + (NN) -7815 + (LL) 13696
1D Compatibility (HY) -15200 + (ID) 2850
Total energy: -185763.0 ( -88.12 by residue)
QMean score : 0.536
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