Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGLLKKIFESGKKDVKYLERKADEII-ALADETAALSDDALREKTVEFKERVQKGETLDDLLVEAFAVAREGAKRALGLYPFKVQLMGGIVLHEGNIAEMKTGEGKTLTATLPVYLNALSGEGVHVVTVNEYLAHRDAEEMGVLYNFLGLSVGLNLNALSSTEKREAYACDITYSTNNELGFDYLRDNMVVYKEEMVQRPLAFAVIDEVDSILVDEARTPLIISGEAEKSTILYVRANTFVRTLTEEED-----------YTVDIKTKSVQLTEDGMTKGENYF-------DVENLFDLENTVILHHIAQALKANYTMSLDVDYVVQDDEVLIVDQFTGRIMKGRRFSEGLHQALEAKEGVTIQNESKTMATITFQNYFRMYKKLAGMTGTAKTEEEEFRDIYNMRVIEIPTNKVIIRDDRPDLIYTTIEAKFNAVVEDIAERHAKGQPVLVGTVAIETSELISSKLKRKGIKHDVLNAKQHEREADIIKHAGERGAVVIATNMAGRGTDIKLG-----------------------------EGTIEAGGLAVIGTERHESRRIDNQLRGRSGRQGDPGVTQFYLSMEDELMRRFGSDNMKSMMERFGMAE-DAIQSKMVSRAVESAQRRVEGNNFDSRKQVLQYDDVLRQQREVIYKQRYEVINAEN---SLREIIEQMIQRTVNFIVSSNASSHEPEEAWNLQGIIDYVDANL---LPEGTITLEDLQNRTSEDIQNLILDKIKAAYDEKETLLPPEEFNEFEKVVLLRVVDTKWVDHIDAMDHLRDGIHLRAYGQIDPLREYQSEGFEMFEAMVSSIDEDVARYIMKAEIRQNLEREQVAKGEAINPAEGKPEAKRQPIRKDQHIGRNDPCPCGSGKKYKNCHGKEA |
2VDA Chain:A ((22-832)) | --------------------RKVVNIINAMEPEMEKLSDEELKGKTAEFRARLEKGEVLENLIPEAFAVVREASKRVFGMRHFDVQLLGGMVLNERCIAEMRTGEGKTLTATLPAYLNALTGKGVHVVTVNDYLAQRDAENNRPLFEFLGLTVGINLPGMPAPAKREAYAADITYGTNNEYGFDYLRDNMAFSPEERVQRKLHYALVDEVDSILIDEARTPLIISGPAEDSSEMYKRVNKIIPHLIRQEKEDSETFQGEGHFSVDEKSRQVNLTERGLVLIEELLVKEGIMDEGESLYSPANIMLMHHVTAALRAHALFTRDVDYIVKDGEVIIVDEHTGRTMQGRRWSDGLHQAVEAKEGVQIQNENQTLASITFQNYFRLYEKLAGMTGTADTEAFEFSSIYKLDTVVVPTNRPMIRKDLPDLVYMTEAEKIQAIIEDIKERTAKGQPVLVGTISIEKSELVSNELTKAGIKHNVLNAKFHANEAAIVAQAGYPAAVTIATNMAGRGTDIVLGGSWQAEVAALENPTAEQIEKIKADWQVRHDAVLEAGGLHIIGTERHESRRIDNQLRGRSGRQGDAGSSRFYLSMEDALMRIFASDRVSGMMRKLGMKPGEAIEHPWVTKAIANAQRKVESRNFDIRKQLLEYDDVANDQRRAIYSQRNELLDVSDVSETINSIREDVFKATIDAYIPPQSL----EEMWDIPGLQERLKNDFDLDLPIAE-WLDKEPELHEETLRERILAQSIEVYQRKEEVVGAEMMRHFEKGVMLQTLDSLWKEHLAAMDYLRQGIHLRGYAQKDPKQEYKRESFSMFAAMLESLKYEVISTLSKVQVR-------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2VDA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186126 for 5964 contacts (-31.2/contact) +
2D Compatibility (PS) -80866 + (NN) -17376 + (LL) 3596
1D Compatibility (HY) -69600 + (ID) 20450
Total energy: -370822.0 ( -62.18 by residue)
QMean score : 0.401
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