Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAAEMDWDKTVGAAEDVRRIFEHIPAILVGLEGPDHRFVAVNAAYRGFSPLLDTVGQPAREVYPELEGQQIYEMLDRVYQTGEPQSGSEWRLQTDYDGSGVEERYFDFVVTPRRRADGSIEGVQLIVDDVTSRVRARQAAEARVEELSERYRNVRDSATVMQQALLAASVPVVPGADIAAEYLVAAEDTAAGGDWFDALALGDRLVLVVGDVVGHGVEAAAVMSQLRTALRMQISAGYTVVEALEAVDRFHKQVPGSKSATMCVGSLDFTSGEFQYCTAGHPPPLLVTADASARYVEPTGAGPLGSGTGFPVRSEVLNIGDAILFYTDGLIERPGRPLEASTAEFADLAASIASGSGGFVLDAPARPIDRLCSDTLELLLRSTGYNDDVTLLAMQRRAPTPPLHITLDATINAARTVRAQLREWLAEIGADHSDIADIVHAISEFVENAVEHGYATDVSKGIVVAAALAGDGNVRASVIDRGQWKDHRDGARGRGRGLAMAEALVSEARIMHGAGGTTATLTHRLSRPARFVTDTMVRRAAFQQTIDSEFVSLVESGRIVVRGDVDSTTAATLDRQIAVESRSGIAPVTIDLSAVTHLGSAGVGALAAACDRARKQGTECVLVAPPGSPAHHVLSLVQLPVVGADTEDIFAQE |
3K3C Chain:A ((3-152)) | MAAEMDWDKTVGAAEDVRRIFEHIPAILVGLEGPDHRFVAVNAAYRGFSPLLDTVGQPAREVYPELEGQQIYEMLDRVYQTGEPQSGSEWRLQTDYDGSGVEERYFDFVVTPRRRADGSIEGVQLIVDDVTSRVRARQAAEARVEELSER----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K3C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -50928 for 951 contacts (-53.6/contact) +
2D Compatibility (PS) -16146 + (NN) -10595 + (LL) 33680
1D Compatibility (HY) -18800 + (ID) 7500
Total energy: -70289.0 ( -73.91 by residue)
QMean score : 0.484
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