Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKFSRFILMMAIACVAAFIFTGNGLNAKAAEEIYLIGTDTTFAPFEFEKDGEH-VGIDMDILKAIAKDQNFKYEIKAMGFNAAVQALEANQVDGVIAGMSITDERKQKFDFSDPYFDSGVVMGILKDNDEIKTYDDLKGKKVAVKTGTEGYAFAEKIKDKYDFDIVVFDDSAQMYDDVKTRNSVACFDDYPVLAYGVQTGNGLKIVTEKEKGNSYGFAVNKGKNQELLEKFNAGLVNIKASGEYEKILKNYLGKNAIKENTTEKGFMGIIKSSWPALLSGLWLTIRLAVVSLIIAFIIGITFGFMKVSNSKILRGIATVYVDIFRGTPLIVQAFFFYFGIPAALDFRMPVFLAGVIALSLNAGAYMVEIVRGGIQSVDKGQMEAARSLGLPHKKAMMKVVLPQAIRMMIPSFINQFVITLKDTSIMSAIGLVELTQSGKIIMARTFESTWTWLIIGIMYLIVITILTKISDRLERRLRND |
4KR5 Chain:A ((3-229)) | ---------------------------ATPKKDVYTIASDNSFAPFEFQNDDKQFTGIDVDLLNAIAKNQGFKLKWNFIGFQAAVDSVQSGHADGMMSGMSITDARKQVFDYGSPYYSSNLTIATSSTDDSIKSWKDLKGKTLGAKNGTASFDYLNAHAKEYGYTVKTFTDATTMYSSLNNGSINALMDDEPVIKYAIKQGQKFATPIKPIPDGQYGFAVKKGSNPELIEMFNNGLANLRANGEYDKIIDKYLE----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KR5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -96754 for 1825 contacts (-53.0/contact) +
2D Compatibility (PS) -25048 + (NN) -13490 + (LL) 23256
1D Compatibility (HY) -18400 + (ID) 4550
Total energy: -134986.0 ( -73.96 by residue)
QMean score : 0.618
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