Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ------------MKNF----YDWIKEFVRDQGEFIAQQSGWLELERSSYAKLIAQTISHV---LNGGSLLVSADSS---------RRWFLNYILSNLN-------------PKDLKERPLLSVIDFNASSFYPKNDANLSLATIELTYQN--PMFWHVGRVENEGLKTLLLSKIPSFLWLFEELKEDCLLLKEHDSLLDYKLLQLF-KLFENALFSALYNKVAL-------------------- |
4E1S Chain:A ((1-242)) | QHYGTAEVNLQSGNNFDGSSLDFLLPFYDSEKMLAFGQVGARYIDSRFTANLGAGQRFFLPANMLGYNVFIDQDFSGDNTRLGIGGEYWRDYFKSSVNGYFRMSGWHESYNKKDYDERPA-NGFDIRFNGYLPSYPALGAKLIYEQYYGDNVALFNSDKLQSNPGAATVGVNYTPIPL-VTMGIDYRHGTGNENDLLYSMQFRYQFDKSWSQQIEPQYVNELRTLSGSRYDLVQRNNNIILEYK |
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General information:
TITO was launched using:
| RESULT:
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Template: 4E1S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -28018 for 1123 contacts (-24.9/contact) +
2D Compatibility (PS) -17975 + (NN) 10887 + (LL) 332
1D Compatibility (HY) -4800 + (ID) 1850
Total energy: -41424.0 ( -36.89 by residue)
QMean score : 0.030
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