Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQSLTLIPTLREVPADAEAKSHQLLLRAGFIRQ--NTSGVYSYMPLAYKVIQNIQQIVREEMEKIDAVEMLMPALQQAETWQE-SGRWYTYGPELMRLKDRH----GREFALGATHEEVITSLVRDEVKSYKRLPLTLYQIQSKFRDEKRPRFGLLRGREFI-MKDAYSFHASAESLDETYQKMYEAYSNIFARCGINVRPVIADSGAMGGKDTHEFMALSAIGEDTIAYSDESQYAANIEMAEVLHQEVPSDEEPKALEKVHTPNVKTIEELTAFLQVSAEACIKSVLFKADDRFVLVLVRGDHEVNDIKVKNLLHAEVVELATHEEVIQQLGTEPGFVGPVGIHQDVEVYADQAVKAMVNAVAGANEGDHHYKNVNVNRDAQIKEFADLRFIKEGDPSPDGKGTIRFAEGIEVGQVFKLGTRYSEAMNATYLDENGRAQPMLMGCYGIGVSRTLSAIAEQHHDEKGLIWPKSVAPYDLHILALNMKN--DGQRELAEKLYADLKAEGYEVLYDDRAERAGVKFADSDLIGLPIRITVGKRA-DEGIVEVKIRQTGESTEISVDELSAFISKQ 1NJ8 Chain:A ((7-372)) ---------------------YSDILEKAEIYDVRYPIKGCGVYLPYGFKIRRYTFEIIRNLLDESGHDEALFPMLIPEDLLAKEAEHIKGFEDEVYWVTHGGKTQLDVKLALRPTSETPIYYMMKLWVKVHTDLPIKIYQIVNTFRYETKHTRPLIRLREIMTFKEAHTAHSTKEEAENQVKEAISIYKKFFDTLGIPYLISKRP---------------------------------EWDKFPG---------------------A-----------------------------------------------------------------------EYTM----------------------------A-----------------FDTI-------F-------PDGRTMQIATVHNLGQNFSKTFEIIFETPTGDKDYAYQTCYGIS-DRVIASIIAIHGDEKGLILPPIVAPIQVVIVPLIFKGKEDIVMEKAKEIYEKLK-GKFRVHIDDRDIRPGRKFNDWEIKGVPLRIEVGPKDIENKKITLFRRDTMEKFQVDETQLMEVVE--

General information: TITO was launched using: RESULT: Template: 1NJ8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1830 -184006 -100.55 -518.33 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -100.55 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.492

(partial model without unconserved sides chains): PDB file : Tito_1NJ8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NJ8-query.scw PDB file : Tito_Scwrl_1NJ8.pdb: