Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGLLKKIFESGKKDVKYLERKADEIIALADETAALSDDALREKTVEFKERVQKGETLDDLLVEAFAVAREGAKRALGLYPFKVQLMGGIVLHEGNIAEMKTGEGKTLTATLPVYLNALSGEGVHVVTVNEYLAHRDAEEMGVLYNFLGLSVGLNLNALSST---------------------------------------------------EKREAYACDITYSTNNELGFDYLRDNMVVYKEEMVQRPLAFAVIDEVDSILVDEARTPLIISGEAEKSTILYVRANTFVRTLTEEEDYTVDIKTKSVQLTEDGMTKGENYFDVENLFDLENTVILHHIAQALKANYTMSLDVDYVVQDDEVLIVDQFTGRIMKGRRFSEGLHQALEAKEGVTIQNESKTMATITFQNYFRMYKKLAGMTGTAKTEEEEFRDIYNMRVIEIPTNKVIIRDDRPDLIYTTIEAKFNAVVEDIAERHAKGQPVLVGTVAIETSELISSKLKRKGIKHDVLNAKQHEREADIIKHAGERGAVVIATNMAGRGTDIKLGEGTIEAGGLAVIGTERHESRRIDNQLRGRSGRQGDPGVTQFYLSMEDELMRRFGSDNMKSMMERFGMAE-DAIQSKMVSRAVESAQRRVEGNNFDSRKQVLQYDDVLRQQREVIYKQRYEVI---NAENSLREIIEQMIQRTVNFIVSSNASSHEPEEAWNLQGIIDYVDANLLPEGTITLEDLQNRTSEDIQNLILDKIKAAYDEKETLLPPEEFNEFEKVVLLRVVDTKWVDHIDAMDHLRDGIHLRAYGQIDPLREYQSEGFEMFEAMVSSIDEDVARYIMKAEIRQNLEREQVAKGEAINPAEGKPEAKRQPIRKDQHIGRNDPCPCGSGKKYKNCHGKEA |
3JUX Chain:A ((4-816)) | --------FDKNKRILKKYAKMVSKINQIESDLRSKKNSELIRLSMVLKEKVNSFEDADEHLFEAFALVREAARRTLGMRPFDVQVMGGIALHEGKVAEMKTGEGKTLAATMPIYLNALIGKGVHLVTVNDYLARRDALWMGPVYLFLGLRVGV-INSLGKSYEVVWKNPDLARKAIEENWSVWPDGFNGEVLKEESMNKEAVEAFQVELKEITRKEAYLCDVTYGTNNEFGFDYLRDNLVLDYNDKVQRGHFYAIVDEADSVLIDEARTPLIISGPSKESPSVYRRFAQIAKKFVKDKDFTVDEKARTIILTEEGVAKAEKIIGVENLYDPGNVSLLYHLINALKALHLFKKDVDYVVMNGEVIIVDEFTGRLLPGRRYSGGLHQAIEAKEGVPIKEESITYATITFQNYFRMYEKLAGMTGTAKTEESEFVQVYGMEVVVIPTHKPMIRKDHDDLVFRTQKEKYEKIVEEIEKRYKKGQPVLVGTTSIEKSELLSSMLKKKGIPHQVLNAKYHEKEAEIVAKAGQKGMVTIATNMAGRGTDIKLGPGVAELGGLCIIGTERHESRRIDNQLRGRAGRQGDPGESIFFLSLEDDLLRIFGSEQIGKVMNILKIEEGQPIQHPMLSKLIENIQKKVEGINFSIRKTLMEMDDVLDKQRRAVYSLRDQILLEKDYDEYLKDIFEDVVSTRVEEFCSG--------KNWDIESLKNSL--SFFPAGLFDLDEKQFSSSEELHDYLFNRLWEEYQRKKQEI-GEDYRKVIRFLMLRIIDDHWRRYLEEVEHVKEAVQLRSYGQKDPIVEFKKETYYMFDEMMRRINDTIANYVLRV----------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3JUX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -230018 for 6295 contacts (-36.5/contact) +
2D Compatibility (PS) -80308 + (NN) -15979 + (LL) 3072
1D Compatibility (HY) -76000 + (ID) 18550
Total energy: -417783.0 ( -66.37 by residue)
QMean score : 0.427
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