Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNTSHKTLKTIAILGQPNVGKSSLFNRLARERIAITSDFAGTTRDINKRKIALNGHEVELLDTGGMAKDALLSKEIKALNLKAAQMSDLILYVVDGKSIPSDEDLKLFREVFKTNPNCFLVINKIDNDKEKERSYAFSSFGTPKSFNISVSHNRGISALIDAVLNALNLNQIIEQDLDADILESLETPNNALEETKEEEIIQVGIIGRVNVGKSSLLNALTKKERSLVSSVAGTTIDPIDETILIGDQKICFVDTAGIRHRGKIL-GIEKYALDRTQKALEKSHIALLVLDVSAPFVELDEKISSLADKHSLGIILILNKWDI---RYAPYEEIMATLKRKFRFLEYAPVITTSCLKARHIDEIKHKIIEVYECFSKRIPTSSLNSVIFQATQKHPLPSDGGKLVKVYYATQFATKPPQISLIMNRPKALHFSYKRYLINTLRKEFNFLGTPLILNAKDKKSVQQN |
| 4DCS Chain:A ((23-455)) | -------KPVVAIVGRPNVGKSTIFNRIAGERIS-----------RIYSSAEWLNYDFNLIDTGG-----PFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKILYRTKKPVVLAVNKL----MRANIYDFYSLGFGEPYPISGTHGLGLGDLLDAVA---------------------EHFKNIPETKYNEEVIQFCLIGRPNVGKSSLVNAMLGEERVIVSN------DAVDTSFTYNQQEFVIVDTAGMRKKGKVYETTEKYSVLRALKAIDRSEVVAVVLDGEEGIIEQDKRIAGYAHEAGKAVVIVVNKWDAVDKDESTMKEFEENIRDHFQFLDYAPILFMSALTKKRIHTLMPAIIKASENHSLRVQTNVLNDVIMDAVAMNPTPTHNGSRLKIYYATQVSVKPPSFVVFVNDPELMHFSYERFLENRIRDAFGFEGTPIKIFARAR------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DCS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -225294 for 3163 contacts (-71.2/contact) +
2D Compatibility (PS) -43089 + (NN) -13430 + (LL) 3604
1D Compatibility (HY) -31600 + (ID) 7250
Total energy: -317059.0 ( -100.24 by residue)
QMean score : 0.525
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