Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGYVINIQAIKKQIELSPQSCGVYQMIGDKDKVLYVGKAKNLKSRLSNYLRYENLSERTKFMLSQVIKVEVLVTENEIDALLLEARLIKSLKPPYNIIFKDGRSYPYIVISKHNYPRIAQYRGKFKKGEFHYYGPFISVAAVKQTMLSLQKTFLLRVCSDQYFASTKRPCIEYQIKRCSAPCVGKITKDDYCQSVKQTRDTLLGRNEKVKKQLSSTMEKCSKEENYELAAIYRDRLKFLEQIQMQSMDFSFEKDADFFGIARKEDLACIGVLSFRNKDNYGSTPYFVENCSDHPDDEILSTFLIKLYNSANIPPAQIYVSDFVTGKEIIEQALHNVTHKPIKALHAKSKKEHNLLKFVYDNSQRSLEQKLTDYKNNLEKFEELSKIFLLPNIPKRVEVYDNSHTSGNQQVGVMVVAGKEGFLKSEYRKFTIKGEILGDDYEMMREVLTRRFSNNTKDVVPDFLLIDGGPGHISVVQNVLNTLNINVPFACMAKGSYRNAGNERFYMPNREDFTLKNDSKVMLYLQSLRNEAHRFAITSHRKKRDKQFFVSPLSKITSIGDKRKNALMSHFGSVENISKASLAEIQNVARISKELAEVILKHVDNKE |
2NRR Chain:A ((344-494)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MEALEELMKLLNMKDFPYRIEGIDISHL---YTVASLVVFEDGFPKKGDYRRYKI------DDYESIRTVVKRRYSKHPL---PNLLFVDGGIGQVNAAIEALKEIGKDCPVVGLATVVFEN-----------REIHLPHDHPVLRLLVQIRDETHRFAVSY-------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2NRR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -73599 for 1092 contacts (-67.4/contact) +
2D Compatibility (PS) -15192 + (NN) -6987 + (LL) 32676
1D Compatibility (HY) -11600 + (ID) 2350
Total energy: -77052.0 ( -70.56 by residue)
QMean score : 0.620
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