Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEENITNVQENASDYNEDQIQVLEGLEAVRKRPGMYIGSTSQRGLHHLVWEIVDNAIDEALAGFCTEIEITIEADNSITVRDNGRGIPTGINEKIGRPTVEVIFTVLHAGGKFGGGGYKVSGGLHGVGASVVNALSTSLEVYVHREGQKYYQRFER-GDVVMDMEEQGET--DYRGTIVHFTPDPQIFTETTEFDFDTLRTRTRELAFLNRGLTISIEDKREEHKVRKDFHYEGGIRSYVEHLNKAKDVIHEPPIYLEGERDDIMVEISMQYNTGFSSNIISFANNIHTYEGGTHESGFKTALTRVINDYARRNKLFKDSDDNLSGEDVREGLTAIISIKHPDPQFEGQTKTKLGNSEARSITDKLFSEALNKFMMENPDVAKKIVEKGVVASRARLAAKRAREVARKSSGLEISSLPGKLADCSSRNPEISELYIVEGDSAGGSAKQGRDRLFQAILPIRGKILNVEKARLDRILANEEIRTIFTAMGTGFGGDFDVSKSRYHKLIIMTDADVDGAHIRTLLLTLFYRYMRPLLDAGYIYIAQPPLYQIKHGKQIEYVYSDGQLEDYLASLDGDTKYSIQRYKGLGEMNPEQLWDTTMNPEHRTLLQVNIKDAIDADETFEMLMGDRVEPRRKFIEDNAQYVKNLDV |
4MBC Chain:A ((17-225)) | ---------------------QVLEGLDAVRKRPGMYIGSTDGAGLHHLVWEIVDNAVDEALSGFGDRIDVTINKDGSLTVQDHGRGMPTGMH-AMGIPTVEVIFTILHA-----------------VGSSVVNALSSWLEVEITRDGAVYKQRFENGGKPVTTLKKIGTALKSKTGTKVTFMPDATIFS-TTDFKYNTISERLNESAFLLKNVTLSLTDKRTDEAI--EFHYE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MBC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -89041 for 1506 contacts (-59.1/contact) +
2D Compatibility (PS) -20263 + (NN) -6719 + (LL) 26696
1D Compatibility (HY) -19200 + (ID) 5600
Total energy: -114127.0 ( -75.78 by residue)
QMean score : 0.563
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