Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNLNLLMKPKTSSKQKKEKTKKREVLPTTLNTLAYQGLFPNGLMQVSPDYFSQSYLLGDVNYQTVGLEEKEAIVEKYSNLINSLDDKTNFQLTIFNKKVNLEQFRKSVLYPLQEDGFDSYREELNRMMDSNLEAGENNFSAVKLISFGKSDQAPKLAYRSLSQIGEYFKSGLSEIEASFTLLTGEERVNNLADMLRGENHLPFTYKDLVLSGQTTKHFIAPTSISFKHKNHIEIDNRLLQIVYVRDYGMELGDKFIRELMQSDLEVVISLHAKGSTKSEAMKKLRT-KKTLME--SQKIGEQQKMARSGIYLDKVGHALESN---IDEAEDLLKTMTQTGDKLFDTVFLIGFFADNEEQLKQSLDIIKQVAGSNDLIIDNLTYMQEAALNSLLPFGKNCLEGVSRSLLTSNIAVNSPWTSVDLQDAGGKFYGINQISSNIITIDRGKLNTPSGLILGTSGSGKGMATKHEIISTKLKEADKDTEIIIVDPENEYSVSGQAFGGEIIDIAPDSRTFLNVLDLSDDNLDEDPVKVKSEFLLSWIGKLLDRKMDGREKSIIDRVTRLTYKHFEEPSLVEWVFVLSQQPEQEARDLALDMELYVEGSLDIFSHKTTIQTDSHFLIYNVKKLGDELKQIALMVIFDQIWNRVVKNQKLGKKTWIYFDEMQLLLLDQFASDFFFKLWSRVRKYGATPTGITQNVETLLLDANGRRIIANSEFMILLKQAKSDREELVHMLGLSKELEKYLVNPEKGAGLIKAGSTVVPFRNKIPHQTKLFDIMSTDPDKMRT |
3CE2 Chain:A ((11-610)) | -------------------QVRPRSEISPQD-CWDITPLYL------NRKAWKADLDS---------FGLKSPTWPALQATQYQLDNSESLLSLLTTLFSIERKLNKLYVYAHLTHDQDITNQEGIADLKSITHLHTLFAEETSW-------VQPALTSLSESLIAQHLSAP-----------CLAPYRFYLEKIFRLSIHTGTPGEEKILASAFTPLEVASKAFSSLSDSEIPFG----QATDSEGNSHPLSHALASLYMQST-----DRELRKTSYLAQCERYHSYRHTFANLLNGKIQAHVFYAKNKRYNSCLQAALYHNNIPTTVYTNLIDIVKKNSSLITKYFSIKQRCLNLKDF--HFYDVYAPLSQEKKY---TFQEAVDLIYTSLSPLGTEYIDTLKQGLTTQGW--------VDKYENLNKRSG---------AYSSGCYDSHPYVLLNYTGTLYDVSVIAHEGGHSMHSYFSRKH-------------QPFHDAQYPIFLAEIASTLNEMLLMDSMLKESDSKEEKITILTRCLDTIFSTL------------------FRQVLFASFEYDIHHAAEH----------------------------------------GVPLTEEYLSSTYKNL-QNEFYGEIITFDVLSNIEWARI---PHFYYNFY------VYQYATGIIAALCFLEKILNNEDN----ALNSYLNFLKSGGSD----------------------FPLEILKKSGLDMGTVEPIQKAFCFIEKKIQELSSLI- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CE2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 41477 for 4674 contacts (8.9/contact) +
2D Compatibility (PS) -61261 + (NN) -12780 + (LL) 15212
1D Compatibility (HY) -13600 + (ID) 3850
Total energy: -34802.0 ( -7.45 by residue)
QMean score : 0.217
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