Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKFSRFILMMAIACVAAFIFTGNGLNAKAAEEIYLIGTDTTFAPFEFEKDG-EHVGIDMDILKAIAKDQNFKYEIKAMGFNAAVQALEANQVDGVIAGMSITDERKQKFDFSDPYFDSGVVMGILKDNDEIKTYDDLKGKKVAVKTGTEGYAFAEKIKDKYDFDIVVFDDSAQMYDDVKTRNSVACFDDYPVLAYGVQTGNGLKIVTEKEKGNSYGFAVNKGKNQELLEKFNAGLVNIKASGEYEKILKNYLGKNAIKENTTEKGFMGIIKSSWPALLSGLWLTIRLAVVSLIIAFIIGITFGFMKVSNSKILRGIATVYVDIFRGTPLIVQAFFFYFGIPAALDFRMPVFLAGVIALSLNAGAYMVEIVRGGIQSVDKGQMEAARSLGLPHKKAMMKVVLPQAIRMMIPSFINQFVITLKDTSIMSAIGLVELTQSGKIIMARTFESTWTWLIIGIMYLIVITILTKISDRLERRLRND |
4OEN Chain:B ((5-222)) | ----------------------------------YIIASDSSFAPFVFQNSSNQYTGIDMELIKAIAKDQGFEIEITNPGFDAAISAVQAGQADGIIAGMSVTDARKATFDFSESYYTANTILGV-KESSNIASYEDLKGKTVGVKNGTASQTFLTENQSKYGYKIKTFADGSSMYDSLNTGAIDAVMDDEPVLKYSISQGQKLKTPISGTPIGETAFAVKKGANPELIEMFNNGLANLKANGEFQKILDKYL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OEN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -104789 for 1768 contacts (-59.3/contact) +
2D Compatibility (PS) -23997 + (NN) -12026 + (LL) 24168
1D Compatibility (HY) -18400 + (ID) 5100
Total energy: -140144.0 ( -79.27 by residue)
QMean score : 0.573
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