Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNRNEYNDDSIQVLEGLEAVRKRPAMYIGSTDVRGLHHLVYEIVDNSVDETLAGFGKKIVVTLHEDGSVSVSDEGRGMPVGMH-KTGKSTVEVILTVLHAGGKFGQEGGYKTSGGLHGVGSSVVNALSEWLVVTINRDGATYQQKFKDGGKPDGTLKKIGKSKATGTTIRFKPDPAIFP-TTSFNYETLSERLRESAFLLKGMLIELIDERVGMAEAFHFEEGVKNFVEYINEGKDVLHPVASFEGENATIEVEMAFQFNDGYSENILSFVNNVRTRGAGSHESGMKAAMTRIFNDYARRVNLLKEKDKNLEGSDIREGLSAVLSIRVPEKILQFEGQTKEKLGTQEARQAVDAVVAEHLAYFLAENPETSSLLVKKAVKAREAREAARKAREETRNGKKKKRSETLLSGKLTPAQSRNPNKNELYLVEGDSAGGSAKQGRDRRFQAILPLRGKVINTEKAKLQDILKNEEISTIIHTVGAGVGTEFDVEDCNYDKVVIMTDADTDGAHIQVLLLTFFYRYMRPLVEAGKVFIALPPLYKVSRGSGKKEVIEYAWTDEELDSAIQKIGKGYMIQRYKGLGEMNADQLWETTMNPDTRTLIRVRVDDSARAERRVATLMGDKVEPRRQWIEKHVEFSMEDSQNILENENMMVEEAKDI |
4URO Chain:B ((26-217)) | -----------------EAARKRPGMYIGSTSERGLHHLVWEIVDNSIDEALAGYANQIEVVIEKDNWIKVTDNGRGIPVDIQEKMGRPAVEVILTV---------------------VGSSVVNALSQDLEVYVHRNETIYHQAYKK-GVPQFDLKEVGTTDKTGTVIRFKADGEIFTETTVYNYETLQQRIRELAFLNKGIQITLRDER-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4URO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -57146 for 1304 contacts (-43.8/contact) +
2D Compatibility (PS) -18540 + (NN) -9570 + (LL) 32524
1D Compatibility (HY) -16400 + (ID) 5000
Total energy: -74132.0 ( -56.85 by residue)
QMean score : 0.536
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