Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAAEMDWDKTVGAAEDVRRIFEHIPAILVGLEGPDHRFVAVNAAYRGFSPLLDTVGQPAREVYPELEGQQIYEMLDRVYQTGEPQSGSEWRLQTDYDGSGVEERYFDFVVTPRRRADGSIEGVQLIVDDVTSRVRARQAAEARVEELSERYRNVRDSATVMQQALLAASVPVVPGADIAAEYLVAAEDTAAGGDWFDALALGDRLVLVVGDVVGHGVEAAAVMSQLRTALRMQISAGYTVVEALEAVDRFHKQVPGSKSATMCVGSLDFTSGEFQYCTAGHPPPLLVTADASARYVEPTGAGPLGSGTGFPVRSEVLNIGDAILFYTDGLIERPGRPLEASTAEFADLAASIASGSGGFVLDAPARPIDRLCSDTLELLLRSTGYNDDVTLLAMQRRAPTPPLHITLDATINAARTVRAQLREWLAEIGADHSDIADIVHAISEFVENAVEHGYATDVSKGIVVAAALAGDGNVRASVIDRGQWKDHRDGARGRGRGLAMAEALVSEARIMHGAGGTTATLTHRLSRPARFVTDTMVRRAAFQQTIDSEFVSLVESGRIVVRGDVDSTTAATLDRQIAVESRS-GIAPVTIDLSAVTHLGSAGVGALAAACDRARKQGTECVLVAPPGSPAHHVLSLVQLPVVGADTEDIFAQE |
| 1TH8 Chain:B ((12-109)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVLIVRLSGELDHHTAEELREQVTDVLENRAIRHIVLNLGQLTFMDSSGLGVILGRYKQIKNVGGQMVVCAVSPA-VKRLFDMSGLFKIIRVEADEQFA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1TH8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -57431 for 692 contacts (-83.0/contact) +
2D Compatibility (PS) -10375 + (NN) -3314 + (LL) 37764
1D Compatibility (HY) -6800 + (ID) 850
Total energy: -41006.0 ( -59.26 by residue)
QMean score : 0.517
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