Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNRNEYNDDSIQVLEGLEAVRKRPAMYIGSTDVRGLHHLVYEIVDNSVDETLAGFGKKIVVTLHEDGSVSVSDEGRGMPVGMHKTGKSTVEVILTVLHAGGKFGQEGGYKTSGGLHGVGSSVVNALSEWLVVTINRDGATYQQKFKDGGKPDGTLKKIG---KSKATGTTIRFKPDPAIFPTTSFNYETLSERLRESAFLLKGMLIELIDERVGMAEAFHFEEGVKNFVEYINEGKDVLHPVASFEGENATIEVEMAFQFNDGYSENILSFVNNVRTRGAGSHESGMKAAMTRIFNDYARRVNLLKEKDKNLEGSDIREGLSAVLSIRVPEKILQFEGQTKEKLGTQEARQAVDAVVAEHLAYFLAENPETSSLLVKKAVKAREAREAARKAREETRNGKKKKRSETLLSGKLTPAQSRNPNKNELYLVEGDSAGGSAKQGRDRRFQAILPLRGKVINTEKAKLQDILKNEEISTIIHTVGAGVGTEFDVEDCNYDKVVIMTDADTDGAHIQVLLLTFFYRYMRPLVEAGKVFIALPPLYKVSRGSGKKEVIEYAWTDEELDSAIQKIGKGYMIQRYKGLGEMNADQLWETTMNPDTRTLIRVRVDDSARAERRVATLMGDKVEPRRQWIEKHVEFSMEDSQNILENENMMVEEAKDI |
5BOD Chain:A ((17-225)) | -----------QVLEGLDAVRKRPGMYIGSTDGAGLHHLVWEIVDNAVDEALSGFGDRIDVTINKDGSLTVQDHGRGMPTGMHAMGIPTVEVIFTILHAG-------------------SSVVNALSSWLEVEITRDGAVYKQRFENGGKPVTTLKKIGTALKSK-TGTKVTFMPDATIFSTTDFKYNTISERLNESAFLLKNVTLSLTDKRTDEAIEFHYE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5BOD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -81370 for 1491 contacts (-54.6/contact) +
2D Compatibility (PS) -20689 + (NN) -10705 + (LL) 31040
1D Compatibility (HY) -19200 + (ID) 6350
Total energy: -107274.0 ( -71.95 by residue)
QMean score : 0.547
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