Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKFSRFILMMAIACVAAFIFTGNGLNAKAAEEIYLIGTDTTFAPFEFE-KDGEHVGIDMDILKAIAKDQNFKYEIKAMGFNAAVQALEANQVDGVIAGMSITDERKQKFDFSDPYFDSGVVMGILKDNDEIKTY--DDLKGKKVAVKTGTEGYAFAEKIKDKYDFDIVVFDDSAQMYDDVKTRNSVACFDDYPVLAYGVQTGNGLKIVTE------KEKGNSYGFAVNKGKNQELLEKFNAGLVNIKASGEYEKILKNYLGKNAIKENTTEKGFMGIIKSSWPALLSGLWLTIRLAVVSLIIAFIIGITFGFMKVSNSKILRGIATVYVDIFRGTPLIVQAFFFYFGIPAALDFRMPVFLAGVIALSLNAGAYMVEIVRGGIQSVDKGQMEAARSLGLPHKKAMMKVVLPQAIRMMIPSFINQFVITLKDTSIMSAIGLVELTQSGKIIMARTFESTWTWLIIGIMYLIVITILTKISDRLERRLRND |
1GGG Chain:A ((5-224)) | ----------------------------------LVVATDTAFVPFEFKQG-DLYVGFDVDLWAAIAKELKLDYELKPMDFSGIIPALQTKNVDLALAGITITDERKKAIDFSDGYYKSGLLVMVKANNNDVKSVKDLD--GKVVAVKSGTGSVDYAKANIKTK--DLRQFPNIDNAYMELGTNRADAVLHDTPNIL-YFIKTAGNGQFKAVGDSLE---AQQYGIAFPKG-SDELRDKVNGALKTLRENGTYNEIYKKWFGTE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GGG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -81396 for 1587 contacts (-51.3/contact) +
2D Compatibility (PS) -23329 + (NN) -10356 + (LL) 24788
1D Compatibility (HY) -17600 + (ID) 3750
Total energy: -111643.0 ( -70.35 by residue)
QMean score : 0.599
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