Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSEENITNVQENASDYNEDQIQVLEGLEAVRKRPGMYIGSTSQRGLHHLVWEIVDNAIDEALAGFCTEIEITIEADNSITVRDNGRGIPTGINEKIGRPTVEVIFTVLHAGGKFGGGGYKVSGGLHGVGASVVNALSTSLEVYVHREGQKYYQRFERGDVVMDMEEQGETDYRGTIVHFTPDPQIFTETTEFDFDTLRTRTRELAFLNRGLTISIEDKREEHKVRKD-FHYEGGIRSYVEHLNKAKDVIHEPPIYLEGERDDIMVEISMQYNTGFSSNIISFANNIHTYEGGTHESGFKTALTRVINDYARRNKLFKDSDDNLSGEDVREGLTAIISIKHPDPQFEGQTKTKLGNSEARSITDKLFSEALNKFMMENPDVAKKIVEKGVVASRARLAAKRAREVARKSSGLEISSLPGKLADCSSRNPEISELYIVEGDSAGGSAKQGRDRLFQAILPIRGKILNVEKARLDRILANEEIRTIFTAMGTGFGGDFDVSKSRYHKLIIMTDADVDGAHIRTLLLTLFYRYMRPLLDAGYIYIAQPPLYQIKHGKQIEYVYSDGQLEDYLASLDGDTKYSIQRYKGLGEMNPEQLWDTTMNPEHRTLLQVNIKDAIDADETFEMLMGDRVEPRRKFIEDNAQYVKNLDV |
| 3U2K Chain:A ((2-195)) | ---------------YGAGQIQVLEGLEAVRKRPGMYIGSTSERGLHHLVWEIVDNSIDEALAGYANQIEVVIEKDNWIKVTDNGRGIPVDIQEKMGRPAVEVILT-----------------------SSVVNALSQDLEVYVHRNETIYHQAYKKGVPQFDLKEVGTTDKTGTVIRFKADGEIFTETTVYNYETLQQRIRELAFLNKGIQITLRDERDEENVREDSYHYE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3U2K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -61080 for 1498 contacts (-40.8/contact) +
2D Compatibility (PS) -21038 + (NN) -10612 + (LL) 26536
1D Compatibility (HY) -21200 + (ID) 6150
Total energy: -93544.0 ( -62.45 by residue)
QMean score : 0.544
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