Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKSLFEQARPILEQIQDNGFEAYYVGGSVRDYVMGRNIHDIDITTSATPDEIESIFSHTIPVGKEHGTINVVFNDENYEVTTFRAEEDYVDHRRPSGVTFVRD-----LYEDLQRRDFTMNAIAMDTA-YKLYDYFDGQQDINNRIIRTVGIAEERFQEDALRMIRCLRFQSQLSFDIAMETFEAMRTQMADIKFLSIERIVIELTKLMRGINVEESFNHLKSLKAFNYMPYFEQLDMNQINVTEPIDLELLIAIVSVKFDINYSLKPLKLSNRQVKDINQYIQIMNALPSIITKEQLKMFVYDYDTNLIKNVMVAADVLKANDIQGHEPLIVNLQTIDETLHRLPMHNRKDMMVNGGVLMAHLNAKSGPWLKDVLRQIEIAIVTGKVSNEETEILKWVDNHVKI |
3AQL Chain:B ((15-204)) | --KDISENALKVMYRLNKAGYEAWLVGGGVRDLLLGKKPKDFDVTTNATPEQVRKLFRNCRLVGRRFRLAHVMFGPEIIEVATFRG------------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKLGMRISPETAEPI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -88050 for 1232 contacts (-71.5/contact) +
2D Compatibility (PS) -16948 + (NN) 274 + (LL) 19652
1D Compatibility (HY) -14400 + (ID) 3100
Total energy: -102572.0 ( -83.26 by residue)
QMean score : 0.463
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