Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNRNEYNDDSIQVLEGLEAVRKRPAMYIGSTD-VRGLHHLVYEIVDNSVDETLAGFGKKIVVTLHEDGSVSVSDEGRGMPVGMH-KTGKSTVEVILTVLHAGGKFGQEGGYKTSGGLHGVGSSVVNALSEWLVVTINRDGATYQQKFKDGGKPDGTLKKIGKSKATGTTIRFKPDPAIFP-TTSFNYETLSERLRESAFLLKGMLIELIDERVGMAEAFHFEEGVKNFVEYINEGKDVLHPVASFEGENATIEVEMAFQFNDGYSENILSFVNNVRTRGAGSHESGMKAAMTRIFNDYARRVNLLKEKDKNLEGSDIREGLSAVLSIRVPEKILQFEGQTKEKLGTQEARQAVDAVVAEHLAYFLAENPETSSLLVKKAVKAREAREAARKAREETRNGKKKKRSETLLSGKLTPAQSRNPNKNELYLVEGDSAGGSAKQGRDRRFQAILPLRGKVINTEKAKLQDILKNEEISTIIHTVGAGVGTEFDVEDCNYDKVVIMTDADTDGAHIQVLLLTFFYRYMRPLVEAGKVFIALPPLYKVSRGSGKKEVIEYAWTDEELDSAIQKIGKGYMIQRYKGLGEMNADQLWETTMNPDTRTLIRVRVDDSARAERRVATLMGDKVEPRRQWIEKHVEFSMEDSQNILENENMMVEEAKDI |
4DUH Chain:B ((12-217)) | ------------VLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKF-------------GVGVSVVNALSQKLELVIQREGKIHRQIYEH-GVPQAPLAVTGETEKTGTMVRFWPSLETFTNVTEFEYEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFH------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DUH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -71500 for 1521 contacts (-47.0/contact) +
2D Compatibility (PS) -20970 + (NN) -10832 + (LL) 31208
1D Compatibility (HY) -14800 + (ID) 5300
Total energy: -92194.0 ( -60.61 by residue)
QMean score : 0.509
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