Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNQKAYFGEFGGSFVSELLVPALRELEQAFDTCLKDEEFQKEYFRLLKDFVGRPSPLTLCQNIVSNPKVKLYLKREDLIHGGAHKTNQALGQALLAKKMGKTR-IIAETGAGQHGVATAIACALLNLKCVIFMGGKDIKRQEMNVFRMRLLGAEVREVNSGSATLKDAVNEALRDWASSYKDTHYLLGTSAGPHPYPTMVKTFQKMIGDEVKSQILEKENRLPDYVIACVGGGSNAIGIFSAFLNDKEVKLIGVEPAGLGLETNKHGATLNKGRV--GILHGNKTYLLQDDEGQIAESHSISAGLDYPGVGPEHSYLKEIGRAVYESASDIEALEAFRLLCQKEGIIPALESSHALAYALKLAQKC-AQEKIIVVNLSGRGDKDLSTVYNALKGGLK---- |
| 2TYS Chain:B ((3-397)) | TLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHTTNQVLGQALLAKRMGKS-EIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHG--RVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSG-RG--DKDIFTVHDILKARGEI |
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General information:
TITO was launched using:
| RESULT:
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Template: 2TYS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -117969 for 3796 contacts (-31.1/contact) +
2D Compatibility (PS) -43152 + (NN) -24762 + (LL) 480
1D Compatibility (HY) -34400 + (ID) 12200
Total energy: -232003.0 ( -61.12 by residue)
QMean score : 0.500
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