Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEPSIVLIGIVGTGAMGQGIAQLAACAGLSVLLYDSRQGVALQAREQIATVLARQVERGRLEAEAVERAMGNLRVVEDLRVLGGCQLVIEAIVENLEAKQALFRQLEEVVGDEAILASNTSSLSVTAIASACRDPGRIAGLHFFNPVPLMRLVEVIEGLATRTGIAERLCALVATFGHQAVRATDSPGFIVNHAGRAFGTEALRILGEGVAPVAAIDEVLREGAGFRMGPFELFDLVGLDVSLPVMESIYRQYYEEPRYRPHPLLRQMLAAGRLGRKSGQGFYRYDGAGQVPVAAPAVAPGAALPPVWLGVDDEHDRAPLLMLLQRLGAEVESGERPSGAPLCLLAPLGADVSAAARRFAVDPTRSLAIDVLSDLERHRCLMACPATRAELQQAARTLFARDGVGVTLIRDSAGFIVQRTLASIVNLACDIAQQGIASVEHIDLAVRLGLGYPLGPLEWGDRLGAGRVLRILERLHALSGDPRYRPSPWLRRRAQLGLSLRQPDSPLAS |
4KUG Chain:C ((6-280)) | ----------VLGAGTMGAGIVQAFAAKGCEVIVRDIKEEFVDRGIATITKSLSKLVAKEKITEADKEEILSRISGTTDMKLAADCDLVVEAAIENMKIKKEIFAELDGICKPETILASNTSSLSITEVASATKRADKVIGMHFFNPAPVMKLVEVIRGAATSQETFDAVKEMSESIGKTPVEVAEAPGFVVNRILIPMINEATFILQEGVAKEEDIDAAMKLGANHPMGPLALGDLIGLDVCLAIMDVLYNE-TGDTKYRASSLLRKYVRAGWLGRKTGKGFYDY-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KUG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -206383 for 2276 contacts (-90.7/contact) +
2D Compatibility (PS) -30468 + (NN) -17018 + (LL) 15424
1D Compatibility (HY) -22000 + (ID) 5250
Total energy: -265695.0 ( -116.74 by residue)
QMean score : 0.499
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