Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MREYDIVVIGSGPGGQKAAIASAKLGKSVAIVERGRMLGGVCVNTGTIPSKTLREAV-LYLTGMNQRELYGASYRVKDRITPADLLARTQHVIGKEVDVVRNQLMRNRVDLIVGHGRFIDPHTILVEDQARREKTTVTGDYIIIATGTRPARPSGVEFDEERVLDSDGILDLKSLPSSMVVVGAGVIGIEYASMFAALGTKVTVVEKRDNMLDFCDPEVVEALKFHL-RDLAVTFRFGEEVTAVDVGSAGTVTTLASGKQ-----IPAETVMYSAGRQGQTDHLDLHNAGLEVQGRGRIFVDDRFQTKVDHIYAVGDVIGF-PALAATSMEQGRLAAYHAFGEPTDGITELQPIGIYSIPEVSYVGATEVELTKSSIPYEVGVARYRELARGQIAGDSYGMLKLLVSTEDLKLLGVHIFGTSATEMVHIGQAVMGCGGSVEYLVDAVFNYPTFSEAYKNAALDVMNKMRALNQFRR |
2QAE Chain:A ((17-464)) | -----------------ASIKAAQLGMKTACVEKRGALGGTCLNVGCIPSKALLHATHLYHDAHANFARYGLMGGEGVTMDSAKMQQQKERAVKGLTGGVEYLFKKNKVTYYKGEGSFETAHSIRVNGLDGKQEMLET-KKTIIATGSEPTELPFLPFDEKVVLSSTGALALPRVPKTMVVIGGGVIGLELGSVWARLGAEVTVVEFAPRCAPTLDEDVTNALVGALAKNEKMKFMTSTKVVG-GTNNGDSVSLEVE---GKRETVTCEALLVSVGRRPFTGGLGLDKINVAKNERGFVKIGDHFETSIPDVYAIGDVVDKGPMLAHKAEDEGVACAEILAGKPGHVNYGVIPAVIYTMPEVASVGKSEDELKKEGVAYKVGKFPFNANSRAKAVSTEDGFVKVLVDKATDRILGVHIVCTTAGELIGEACLAMEYGASSEDVGRTCHAHPTMSEALKEACMALFAK--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QAE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -279847 for 3686 contacts (-75.9/contact) +
2D Compatibility (PS) -47391 + (NN) -15494 + (LL) 1580
1D Compatibility (HY) -20800 + (ID) 7050
Total energy: -369002.0 ( -100.11 by residue)
QMean score : 0.452
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