Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNSFYEMGLPLLLAQALDKNSFSVPTPVQAQAIPLALKGKDILGSAQTGTGKTLAFAIPLIAKLLGEPNASTALVIVPTRELAQQVTNEIGKLLLKNSV-LKIALLIGGEPIFRQLNQLQRRPRIVIGTPGRIIDHIERKTLITNNVSTLVLDEVDRMFDMGFGIQIEGIMKYLPKMRQNLMFSATLPGDIVKLAEKYSNQPERVSVENEATTSVKIKQEIIYASESEKYGKLVTQLYQRKG--SIIVFVRTKQRADQLAYKLRKDNHSALAIHGDLKQRKRKRVINSFRRGHNQIMVATDVASRGLDIPHIQHVINYDAPESQANYIHRTGRTARAGAEGYALSFITSQDKKRLPTLTDKKGELNFDCNVQFKKCSSKKVSRRPSALKIKYGRKKTSTFKKKSTVLEKIY |
2XB2 Chain:A ((39-385)) | --TFDTMGLREDLLRGIYAYGFEKPSAIQQRAIKQIIKGRDVIAQSQSGTGKTATFSISVLQCLDIQVRETQALILAPTRELAVQIQK--GLLALGDYMNVQCHACIGGTNVGEDIRKLDYGQHVVAGTPGRVFDMIRRRSLRTRAIKMLVLDEADEMLNKGFKEQIYDVYRYLPPATQVVLISATLPHEILEMTNKFMTDPIRILVKRDELTLEGIKQFFVAVEREEWKFDTLCDLYDTLTITQAVIFCNTKRKVDWLTEKMREANFTVSSMHGDMPQKERESIMKEFRSGASRVLISTDVWARGLDVPQVSLIINYDLPNNRELYIHRIGRSGRYGRKGVAINFVKNDDIRILRDIEQYYSTQIDEMPMNVADLI---------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XB2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -201319 for 2992 contacts (-67.3/contact) +
2D Compatibility (PS) -37505 + (NN) -18372 + (LL) 2016
1D Compatibility (HY) -27200 + (ID) 6100
Total energy: -288480.0 ( -96.42 by residue)
QMean score : 0.564
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