Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTSSPVTPSAVDDAPDWPAAFVRRYLDAGHWQDQSFAEALATSAARHPRRIALCDDDQRLSYADLLQRCRRLAAGLRQAGLAHGDTVVLHLPNGIAFVETCFALFQLGVRPVLALPAHRQHEISGFCRFAEAKAYIGAERIDGFDPRPMAREL---LASGACRMALIHGEAEAPLQALAPLYQADALEDCAARAEDIACFQLSGGTTGTPKLIPRRHREYLYNVRASAEVCGFDEHTVYLTGLPMAHNFTLCCPGVIGTLLASGRVVVSQRADPEHCFALIARERVTHTALVPPLAMLWLDAQESRRADLSSLRLLQVGGSRLGSSAAQRVEPVLGCQLQQVLGMAEGLICYTRLDDPPERVLHTQGRPLSPDDEVRVVDAEGREVGPGEVGELTVRGPYTIRGYYRLPEHNAKAFSADGFYRTGDRVSRDKDGYLVVEGRDKDQINRGGEKIAAEEVENLLIAHPQVHDATVVAMPDSLLGERTCAFVIPRQPAPSALKLKQYLHACGLAAFKVPDRIELVPAFPQTGIGKISKKDLRERLRRELEARA |
| 3U17 Chain:A ((13-439)) | ----------------WSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAIICGERQLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFALLKAGVVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLHDVNLSPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSG--TGTPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSPGALGVLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAAQYKDQIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTRLDDSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCGYYQSPEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIK----------------------------------------------------------------------------------------------------------- |
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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) -299558 for 3703 contacts (-80.9/contact) +
2D Compatibility (PS) -45860 + (NN) -21681 + (LL) 8236
1D Compatibility (HY) -32400 + (ID) 8800
Total energy: -400063.0 ( -108.04 by residue)
QMean score : 0.515
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