Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNRNEYNDDSIQVLEGLEAVRKRPAMYIGSTD-VRGLHHLVYEIVDNSVDETLAGFGKKIVVTLHEDGSVSVSDEGRGMPVGMH-KTGKSTVEVILTVLHAGGKFGQEGGYKTSGGLHGVGSSVVNALSEWLVVTINRDGATYQQKFKDGGKPDGTLKKIGKSKATGTTIRFKPDPAIFP-TTSFNYETLSERLRESAFLLKGMLIELIDERVGMAEAFHFEEGVKNFVEYINEGKDVLHPVASFEGENATIEVEMAFQFNDGYSENILSFVNNVRTRGAGSHESGMKAAMTRIFNDYARRVNLLKEKDKNLEGSDIREGLSAVLSIRVPEKILQFEGQTKEKLGTQEARQAVDAVVAEHLAYFLAENPETSSLLVKKAVKAREAREAARKAREETRNGKKKKRSETLLSGKLTPAQSRNPNKNELYLVEGDSAGGSAKQGRDRRFQAILPLRGKVINTEKAKLQDILKNEEISTIIHTVGAGVGTEFDVEDCNYDKVVIMTDADTDGAHIQVLLLTFFYRYMRPLVEAGKVFIALPPLYKVSRGSGKKEVIEYAWTDEELDSAIQKIGKGYMIQRYKGLGEMNADQLWETTMNPDTRTLIRVRVDDSARAERRVATLMGDKVEPRRQWIEKHVEFSMEDSQNILENENMMVEEAKDI |
3G7E Chain:A ((1-203)) | ---------------GLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKF-DDNSYKVSGGLHGVGVSVVNALSQKLELVIQREGKIHRQIYEH-GVPQAPLAVTGETEKTGTMVRFWPSLETFTNVTEFEYEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFH------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3G7E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -72551 for 1607 contacts (-45.1/contact) +
2D Compatibility (PS) -22072 + (NN) -13635 + (LL) 31744
1D Compatibility (HY) -14800 + (ID) 5550
Total energy: -96864.0 ( -60.28 by residue)
QMean score : 0.549
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