Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTSSPVTPSAVDDAPDWPAAFVRRYLDAGHWQDQSFAEALATSAARHPRRIALCDDDQRLSYADLLQRCRRLAAGLRQAGLAHGDTVVLHLPNGIAFVETCFALFQLGVRPVLALPAHRQHEISGFCRFAEAKAYIGAERIDGFDPRPMAREL---LASGACRMALIHGEAEAPLQALAPLYQADALEDCAARAEDIACFQLSGGTTGTPKLIPRRHREYLYNVRASAEVCGFDEHTVYLTGLPMAHNFTLCCPGVIGTLLASGRVVVSQRADPEHCFALIARERVTHTALVPPLAMLWLDAQESRRADLSSLRLLQVGGSRLGSSAAQRVEPVLGCQLQQVLGMAEGLICYTRLDDPPERVLHTQGRPLSPDDEVRVVDAEGREVGPGEVGELTVRGPYTIRGYYRLPEHNAKAFSADGFYRTGDRVSRDKDGYLVVEGRDKDQINRGGEKIAAEEVENLLIAHPQVHDATVVAMPDSLLGERTCAFVIPRQPAPSALKLKQYLHACGLAAFKVPDRIELVPAFPQTGIGKISKKDLRERLRRELEARA |
3U17 Chain:B ((13-440)) | ----------------WSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAIICGERQLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFALLKAGVVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLHDVNLSPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSGGSTGTPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSPGALGVLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAAQYKDQIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTRLDDSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCGYYQSPEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIKD---------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3U17.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -301065 for 3751 contacts (-80.3/contact) +
2D Compatibility (PS) -46204 + (NN) -24031 + (LL) 8432
1D Compatibility (HY) -32400 + (ID) 8900
Total energy: -404168.0 ( -107.75 by residue)
QMean score : 0.477
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