Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNRNEYNDDSIQVLEGLEAVRKRPAMYIGSTDVRGLHHLVYEIVDNSVDETLAGFGKKIVVTLHEDGSVSVSDEGRGMPVGMHKTGK-STVEVILTVLHAGGKFGQEGGYKTSGGLHGVGSSVVNALSEWLVVTINRDGATYQQKFKDGGKPDG--TLKKIGKSKATGTTIRFKPDPAIFPTTSFNYETLSERLRESAFLLKGMLIELIDERVGMAEAFHFEEGVKNFVEYINEGKDVLHPVASFEGENATIEVEMAFQFNDGYSENILSFVNNVRTRGAGSHESGMKAAMTRIFNDYARRVNLLKEKDKNLEGSDIREGLSAVLSIRVPEKILQFEGQTKEKLGTQEARQAVDAVVAEHLAYFLAENPETSSLLVKKAVKAREAREAARKAREETRNGKKKKRSETLLSGKLTPAQSRNPNKNELYLVEGDSAGGSAKQGRDRRFQAILPLRGKVINTEKAKLQDILKNEEISTIIHTVGAGVGTEFDVEDCNYDKVVIMTDADTDGAHIQVLLLTFFYRYMRPLVEAGKVFIALPPLYKVSRGSGKKEVIEYAWTDEELDSAIQKIGKGYMIQRYKGLGEMNADQLWETTMNPDTRTLIRVRVDDSARAERRVATLMGDKVEPRRQWIEKHVEFSMEDSQNILENENMMVEEAKDI |
4KQV Chain:B ((8-217)) | ---------SIEVLTGLDPVKKRPGMY---TNIENPNHLIQEIIDNSVDEVLAGFASKINITLYEDNSIEVADDGRGMPVDIHPEHKMSGIELIMTKLHSGGK---------------VGVSVVNALSTRLEAEIKRDGNVYHIVFEDGFKTKDLEIIDNVGK-KNTGTKIRFWPNKKYFDDIKVNFKALKNLLEAKAILCKALTIKYSNEIKKEKLTWHFETG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KQV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -75279 for 1458 contacts (-51.6/contact) +
2D Compatibility (PS) -21107 + (NN) -10022 + (LL) 30852
1D Compatibility (HY) -17200 + (ID) 4750
Total energy: -97506.0 ( -66.88 by residue)
QMean score : 0.470
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