Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKFSRFILMMAIACVAAFIFTGNGLNAKAAEEIYLIGTDTTFAPFEFEKDGEHVGIDMDILKAIAKDQNFKYEIKAMGFNAAVQALEANQVDGVIAGMSITDERKQKFDFSDPYFDSGVVMGILKDNDEIKTYDDLKGKKVAVKTGTEGYAFAEKIKDKYDFDIVVFDDSAQMYDDVKTRNSVACFDDYPVLAYGVQTGN--GLKIVTEK--EKGNSYGFAVNKGKNQELLEKFNAGLVNIKASGEYEKILKNYLGKNAIKENTTEKGFMGIIKSSWPALLSGLWLTIRLAVVSLIIAFIIGITFGFMKVSNSKILRGIATVYVDIFRGTPLIVQAFFFYFGIPAALDFRMPVFLAGVIALSLNAGAYMVEIVRGGIQSVDKGQMEAARSLGLPHKKAMMKVVLPQAIRMMIPSFINQFVITLKDTSIMSAIGLVELTQSGKIIMARTFESTWTWLIIGIMYLIVITILTKISDRLERRLRND |
2PVU Chain:A ((38-266)) | ----------------------------GATKKKVVVGTDAAFAPFEYMQKGKIVGFDVDLLDAVMKAAGLDYELKNIGWDPLFASLQSKEVDMGISGITITDERKQSYDFSDPYFEATQVILVKQGS-PVKNALDLKGKTIGVQNATTGQEAAEKLFG-KGPHIKKFETTVVAIMELLNGGVDAVITDNAVANEYVKNNPNKKLQVIEDPKNFASEYYGMIFPK--NSELKAKVDEALKNVINSGKYTEIYKKWFGKEPK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PVU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -89242 for 1850 contacts (-48.2/contact) +
2D Compatibility (PS) -24652 + (NN) -10498 + (LL) 22948
1D Compatibility (HY) -15600 + (ID) 3800
Total energy: -120844.0 ( -65.32 by residue)
QMean score : 0.571
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