Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLETPKVLLKNLQDCKIHFIGIGGIGISGLAKYLKAQGAKISGSDIAISPSVKYLKALGVEINIPHDPKAINHQDVIIHSAIIKEDNTEIQRAKELEIPILSRKDALYSILKDKRVFSVCGAHGKSSITAMLSAICPA---FGAII--GAHSK---------EF---------------------D----------SN-VRESADMSLVFEADESD-S-SFLFSNPFCAIVPNTEPEHLEHYDHDLERFFFAYKYFLDHAQKRVIYKED-PF-LKNYSKDA---I------VLE-KKDIYNIQYILKDGEPYTSFELKNLGAFLVWGLGEHNATNASLAILSALD---ELNLEEIRNNLLNFKGIKKRFDILQKNNLILIDDYAHHPTEIGATLKSARIYANLLNTQEKIIVIWQAHKYSRLMDNLEEFKKCFLEHCDRLIILPVY-SASEVKRDIDLKAHFKHYNPTFIDRVRKKGDFLELLVNDNV---VET-IEKGFVIGFGAGDITYQLRGEM |
3NRS Chain:A ((51-430)) | ----------------------------------------------------------------------------------------------------------------APKIFTVAGTNGKGTTCCTLEAILLAAGLRVGVYSSPHLLRYTERVRIQGQELSEAEHSHSFAQIEAGRGDISLTYFEFGTLSALQLFKQAKLDVVILEVGLGGRLDATNIVDSDVAAITSIALDHTDWLGYDRESIGREKAGVFRGGKPAVVGEPDMPQSIADVAAELGAQLYRRDVAWKFSQ-----------NGWHWQC---GERQLTGLPVPN-VPLANAATALAVLHYSELPLSDEAIRQGLQAA-SLPGRFQVVSE-QPLLILDVAHNPHAARYLVNRLAQV----I--GKVRAVVGMLSDKDIAGTL----ACLSERVDEWYCAPLEGPRGASAGQLA-------------EHLVSA-RQFS-DVETAWRQAMQDADTQDVVIVCGSFHTVAHVMAAL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NRS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -142064 for 2421 contacts (-58.7/contact) +
2D Compatibility (PS) -30993 + (NN) -2054 + (LL) 11552
1D Compatibility (HY) -6800 + (ID) 2200
Total energy: -172559.0 ( -71.28 by residue)
QMean score : 0.341
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