Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFFKQFYDNHLSQASYLVGCQRTGEAIIIDPVRDLSKYIEVADSEGLTITQATETHIHADFASGIRDVAKRLNANIYVSGEGEDALGYKNMPSKTQFVKHGDIIQVGNVKLEVLHTPGHTPESISFLLTDLGGGSSVPMGLFSGDFIFVGDIGRPDLLEKSVQIKGSTEISAKQMYESVQNIKNLPDYVQIWPGHGAGSPCGKALGAIPISTIGYEKINNWAFNEIDETKFIESLTSNQPAPPHHFAQMKQVNQFGMNLYQSYDVYPSLDNKRVAFDLRSKEAFHGGHTKGTINIPYNKNFINQIGWYLDFEKDIDLIGDKSTVEKAKHTLQLIGFDKVAGYRLPKSGISTQSVHSADMTGKEEHVLDVRNDEEWNNGHLDQAVNIPHGKLLNENIPFNKEDKIYVHCQSGVRSSIAVGILESKGFENVVNIREGYQDFPESLK |
3R2U Chain:D ((25-370)) | MFFKQFYDKHLSQASYLIGCQKTGEAMIIDPIRDLSSYIRVADEEGLTITHAAETHIHADFASGIRDVAIKLNANIYVSGESDDTLGYKNMPNHTHFVQHNDDIYVGNIKLKVLHTPGHTPESISFLLTDEGAGAQVPMGLFSGDFIFVGDIGRPDL--------GSSEIGAKQMFKSIESIKDLPDYIQIWPGHGAGS---KSLGAIPTSTLGYEKQTNWAFSENNEATFIDKLISDQPAPPHHFAQMKKINQFGMNLYQPYTVYPATNTNRLTFDLRSKEAYHGGHIEGTINIPYDKNFINQIGWYLNYDQEINLIGDYHLVSKATHTLQLIGYDDIAGYQLPQ-------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R2U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -142672 for 2867 contacts (-49.8/contact) +
2D Compatibility (PS) -36284 + (NN) -15390 + (LL) 5588
1D Compatibility (HY) -40400 + (ID) 12650
Total energy: -241808.0 ( -84.34 by residue)
QMean score : 0.535
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