Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNEYKFETIQVHGGHTPDGDTHSRAVPIYQTTSYTFDSPEHAAALFGLQETGNIYTRIMNPTTAVLEERLTLLEGGIGAVATASGMAAITYSILNIAGSGDHIVAAATLYGGTHTLFSHTFKTFGIDVTFVDPNEPENFEKAIKDNTKAVFIETIGNPDINIVDIEKVAKIAHASDIPLIVDNTFATAYLNRPFDFGADIVVYSATKFIGGHGVAIGGAVIDSGKFN---WANGKFPKLVVPDDSYNGLSYTNDVGAAAYITKLRVSLLRDTGAALSPFNAFLLILGLETLSLRLEQHVKNAKQVANFLNDHPKVAWVNYPGLKDNKYHELAQKYLPKGPGS-IFTFGVKGGYEAGKKVIESVELFSHLANVGDAKSLIIHPASTTHQQLSEEQQLTAGVKPESIRLSIGIENADDIIQDLTKALEQI |
4OC9 Chain:D ((7-423)) | -------ETLALHGAYNFDTQ-RSISVPIYQNTAYNFENLDQAAARFNLQELGNIYSRLSNPTSDVLGQRLANVEGGAFGIPVASGMAACFYALINLASSGDNVAYSNKIYGGTQTLISHTLKNFGIEAREFDIDDLDSLEKVIDQNTKAIFFESLSNPQIAIADIEKINQIAKKHKIVSICDNTVATPFLLQPFKHGVDVIVHSLSKYVSGQGTALGGALIERKDLNDLLKNNDRYKAFNTPDPSYHGLNL-NTLDLPIFSIRVIITWLRDLGASLAPQNAWLLLQGLETLAVRIEKHSQNAEKVANFLNSHPDIKGVNYPTLASNAYHNLFKKYFDKNFASGLLSFEAK-DYEHARRICDKTQLFLLAANLGDSKSLIIHPASTTHSQLSEEELQKAGITKATIRLSIGLENSDDLIADLKQAIE-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OC9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -236805 for 3652 contacts (-64.8/contact) +
2D Compatibility (PS) -45293 + (NN) -31432 + (LL) 748
1D Compatibility (HY) -35200 + (ID) 9900
Total energy: -357882.0 ( -98.00 by residue)
QMean score : 0.616
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