Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNRDQSDLHIDELLADPFGGNIEIPGSEAVKAEKEQVRLVDVLPEENKEKAIQLAGQIDHKNMQSIVLYGSQAQSKLLNFSHDMINHVQKKDVGEIGEILGELMKKLEQVNPDDLQSKKKGFLARMFGRVS--------SSLQEVLSKYQKTSVQIDRISLKLEHSKNALISDNKLLEQLYEKNKEYFAALNVYIAAGELKLEELK--------------TKTIPELKQ---------QAESSDHNQMAVQEVNDLIQ---------FADRLDKRVHDLLLSRQITIQSAPQIRLIQNTNQALAEKIQSSIVTAIPLWKNQVAIALTLLRQRNAVDAQQKVSDTTNELLLKNAELLKTNTIETARANERGLVDIDTLKKVQESLISTLEETLTIQEEGRIKRRQAEEELMMMEGDLKQKLITIKER-------- |
| 2XUB Chain:A ((1-532)) | MTQAEIKL-CSLLLQEHFGEIVEKIGVHLIRTGSQPLRVIAHDTGTSLDQVKKALCVLVQHNLVSYQVHKRGVVEYEAQCSRVLRMLRYPRYIYTTKTLYSDTGELIVEELLLNGKLTMSAVVKKVADRLTETMEDGKTMDYAEVSNTFVRLADTHFVQRCPSVDGIYWQANLDRFHQHFRDQAIVSAVANRMDQTSSEIVRTMLRMSEITTSSSAPFTQPLSSNEIFRSLPVGYNISKQVLDQYLTLLADDPLEFVGKSGDSGGGMYVINLHKALASLATATLESVVQERFGSRCARIFRLVLQKEQKQVEDFAMIPAKEAKDMLYKMLSENFMVNILSAARMLLHRCYKSIANLIERRQFETKENKRLLEKSQRVEAIIASMQLQEIEEMITAPERQQLETLKRNVNKLDASEIQVDETIFLLESYIECTMK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XUB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 90506 for 2772 contacts (32.7/contact) +
2D Compatibility (PS) -41470 + (NN) -16137 + (LL) 44
1D Compatibility (HY) 400 + (ID) 1700
Total energy: 31643.0 ( 11.42 by residue)
QMean score : 0.218
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