Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFSILMAIIQITGIFIAIQILTNKVFSIKEGLVTIAIAMLAFPLFTLVQYWSMIFVLIVFVSALYWKNKNVVVSASITLVVIILLTISDSIVGFILVPGLNFKYDEIFNELLPTLIYCAGMLANLLVFSFLLRKLIEKVNISRFVEHRKYAYIIFSIVALTVLAFYMNIYAGSIAGFDGSVLKINTLIFTGYTILLIVIVTVVINTATNELKVQNQKEQLEQLQDYVTTLESLHREMRVFRHDYVNILSTLVGYIDNNDMPGLKYYFENNIVPINKTIESNNYKISLLQNIHVIELKGLLAVKLIRAQELKIDAILEVVEPI-DKISMDSIDLCKVVGILLDNAVEAALTCE----------NPVIRIAFVKKGDSIIIVFANSLPV-NMPP------------------------IYKIFEEGFSTK-----GEGRGLGLASLREIMKKYSHVALDTKV---TDREVIQELEIM |
1I58 Chain:A ((18-188)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLHLLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGIDKEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSTKEKVSEVSGRGVGMDVVKNVVESLNG-SISIESEKDKGTKVTIRLPL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1I58.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -66399 for 875 contacts (-75.9/contact) +
2D Compatibility (PS) -13531 + (NN) -592 + (LL) 30012
1D Compatibility (HY) -2400 + (ID) 950
Total energy: -53860.0 ( -61.55 by residue)
QMean score : 0.493
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