Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEPSIVLIGIVGTGAMGQGIAQLAACAGLSVLLYDSRQGVALQAREQIATVLARQVERGRLEA-----EAVERAMGNLRVVEDL-RVLGGCQLVIEAIVENLEAKQALFRQLEEVVGDEAILASNTSSLSVTAIASACRDPGRIAGLHFFNPVPLMRLVEVIEGLATRTGIAERLCALVATFGHQAVRATDSPGFIVNHAGRAFGTEALRILGEGVAPVAAIDEVLREGAGFRMGPFELFDLVGLDVSLPVMESIYRQYYEEPRYRPHPLLRQMLAAGRLGRKSGQGFYRYDGAGQVPVAAPAVAPGAALPPVWLGVDDEHDRAPLLMLLQRLGAEVESGERPSGAPLCLLAPLGADVSAAARRFAVDPTRSLAIDVLSDLERHRCLMACPATRAELQQAARTLFARDGVGVTLIRDSAGFIVQRTLASIVNLACDIAQQGIASVEHIDLAVRLGLGYPLGPLEWGDRLGAGRVLRILERLHALSGDPRYRPSPWLRRRAQLGLSLRQPDSPLAS |
3HDH Chain:A ((18-301)) | --------VTVIGGGLMGAGIAQVAAATGHTVVLVDQTEDILAKSKKGIEESLRKVAKKKFAENPKAGDEFVEKTLSSISTSTDAASVVHSTDLVVEAIVENLKVKSELFKRLDKFAAEHTIFASNTSSLQITSLANATTRQDRFAGLHFFNPVPLMKLVEVVKTPMTSQKTLESLVDFSKTLGKHPVSCKDTPGFIVNRLLVPYLIEAVRLYERGDASKEDIDTAMKLGAGYPMGPFELLDYVGLDTTKFIIDGWHEMDSQNPLFQPSPAMNKLVAENKFGKKTGEGFYKY-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HDH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -216433 for 2247 contacts (-96.3/contact) +
2D Compatibility (PS) -30761 + (NN) -16051 + (LL) 15300
1D Compatibility (HY) -21200 + (ID) 5400
Total energy: -274545.0 ( -122.18 by residue)
QMean score : 0.440
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