Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKERIVNLETLDFETSQEVSLRPNLWEDFIGQEKIKSNLQISICAAKKRQESLDHMLFFGPPGLGKTSISHIIAKEMETNIKITAAPMIEKSGDLAAILTNLQAKDILFIDEIHRLSPAIEEVLYPAMEDFRLDIIIGSGPAAQTIKIDLPPFTLIGATTRAGMLSNPLRDRFGMSFRMQFYSPSELSLIIKKAAAKLNQDIKEESADEIAKRSRGTPRIALRLLKRVRDFALVKNSSLMDLSITLHALNELGVNELGFDEADLAYL-SLLANAQGRPVGLNTIAASMREDEGTIEDVIEPFLLANGYLERTAKGRIATPKTHALLKIPTLNPQTLF |
1IN7 Chain:A ((19-325)) | --------------------LRPKSLDEFIGQENVKKKLSLALEAAKMRGEVLDHVLLAGPPGLGKTTLAHIIASELQTNIHVTSGPVLVKQGDMAAILTSLERGDVLFIDEIHRLNKAVEELLYSAIEDFQID---------------IQPFTLVGATTRSGLLSSPLRSAFGIILELDFYTVKELKEIIKRAASLMDVEIEDAAAEMIAKRSRGTPRIAIRLTKRVRDMLTVVKADRINTDIVLKTMEVLNIDDEGLDEFDRKILKTIIEIYRGGPVGLNALAASLGVEADTLSEVYEPYLLQAGFLARTPRGRIVTEKAYKHLKYEVP------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IN7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -160887 for 2406 contacts (-66.9/contact) +
2D Compatibility (PS) -30894 + (NN) -6410 + (LL) 2900
1D Compatibility (HY) -30800 + (ID) 7400
Total energy: -233491.0 ( -97.05 by residue)
QMean score : 0.575
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