Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNLNLLMKPKTSSKQKKEKTKKREVLPTTLNTLAYQGLFPNGLMQVSPDYFSQSYLLGDVNYQTVGLEEKEAIVEKYSNLINSLDDKTNFQLTIFNKKVNLEQFRKSVLYPLQEDGFDSYREELNRMMDSNLEAGENNFSAVKLISFGKSDQAPKLAYRSLSQIGEYFKSGLSEIEASFTLLTGEERVNNLADMLRGENHLPFTYKDLVLSGQTTKHFIAPTSISFKHKNHIEIDNRLLQIVYVRDYGMELGDKFIRELMQSDLEVVISLHAKGSTKSEAMKKLRTKKTLMESQKIGEQQKMARSGIYLDKVGHALESNIDEAEDLLKTMTQTGDKLFDTVFLIGFFADNEEQLKQSLDIIKQVAGSNDLIIDNLTYMQEAALNSLLPFGKNCLEGVSRSLLTSNIAVNSPWTSVDLQDAGGKFYGINQISSNIITIDRGKLNTPSGLILGTSGSGKGMATKHEIISTKLKEADKDTEIIIVDPENEYSVSGQAFGGEIIDIAPDSRTFLNVLDLSDDNLDEDPVKVKSEFLLSWIGKLLDRKMDGREKSIIDRVTRLTYKHFEEPSLVEWVFVLSQQPEQEARDLALDMELYVEGSLDIFSHKTTIQTDSHFLIYNVKKLGDELKQIALMVIFDQIWNRVVKNQKLGKKTWIYFDEMQLLLLDQF---ASDFFFKLWSRVRKYGATPTGITQNVETLLLDANGRRIIANSEFMILLKQAKSDREELVHMLGLSKELEKYLVNPEKGAGLIKAGSTVVPFRNKIPHQTKLFDIMSTDPDKMRT |
2R2A Chain:A ((86-152)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NIGSIVIVDEAQDVWPARSAGSKIPENVQWLNTHRHQGIDIFVLTQGPKLLD-----QNLRTLVRKHYHIASNKMGMRTLLEWKICADDPVKMASSAFSSIYTLDKKVYDLYES---------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2R2A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -26556 for 365 contacts (-72.8/contact) +
2D Compatibility (PS) -6691 + (NN) 2572 + (LL) 45232
1D Compatibility (HY) 0 + (ID) 400
Total energy: 14157.0 ( 38.79 by residue)
QMean score : 0.278
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