Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKGQVIQVMGPVVDVKFEGGNLPEIYNALVIEYKSDAEEAPTSQLTLEVAIQLGDDVVRTIAMASTDGVQRGMEVIDTGSPITVPVGTVTLGRVFNVLGNTIDLDEPLPSDIKRNKIHREAPTFDQLATTTEILETGIKVVDLLAPYLKGGKIGLFGGAGVGKTVLIQELIHNIAQEHGGISVFAGVGERTREGNDLYFEMKDSGVIE-----KTAMVFGQMNEPPGARMRVALTGLTIAEYFRDEEHQDVLLFIDNIFRFTQAGSEVSALLGRMPSAVGYQPTLATEMGQLQERITSTNVGSVTSIQAIYVPADDYTDPAPATTFAHLDATTNLERKLTEQGIYPAVDPLASTSRALSPDIVGEEHYAVATEVQRLLQRYKELQDIIAILGMDELSDEDKQSVSRARRVQFFLSQNFHVAEQFTGQKGSYVPVKETVKGFKDLLAGKYDHIPEDAFRSVGRIEDVLEKAKDMGVEV |
4B2Q Chain:D ((6-468)) | ---GKVTAVIGAIVDVHFEQSELPAILNALEIK-------TPQGKLVLEVAQHLGENTVRTIAMDGTEGLVRGEKVLDTGGPISVPVGRETLGRIINVIGEPIDERGPIKSKL-RKPIHADPPSFAEQSTSAEILETGIKVVDLLAPYARGGKIGLFGGAGVGKTVFIQELINNIAKAHGGFSVFTGVGERTREGNDLYREMKETGVINLEGESKVALVFGQMNEPPGARARVALTGLTIAEYFRDEEGQDVLLFIDNIFRFTQAGSEVSALLGRIPSAVGYQPTLATDMGLLQERITTTKKGSVTSVQAVYVPADDLTDPAPATTFAHLDATTVLSRGISELGIYPAVDPLDSKSRLLDAAVVGQEHYDVASKVQETLQTYKSLQDIIAILGMDELSEQDKLTVERARKIQRFLSQPFAVAEVFTGIPGKLVRLKDTVASFKAVLEGKYDNIPEHAFYMVGGIEDVVAKAEKL---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4B2Q.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -199586 for 3915 contacts (-51.0/contact) +
2D Compatibility (PS) -49488 + (NN) -17644 + (LL) 1028
1D Compatibility (HY) -50800 + (ID) 15950
Total energy: -332440.0 ( -84.91 by residue)
QMean score : 0.484
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