Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MNEEQELQRGLKNRHVQLISIGGAIGTGLFLGSGKSIQLAGPSILLAYLITGCICFFIMRALGELLLSNTNNHSFLDFVAEYLGKKAAFITGWTYWFCWVSIAMADLTAIGMYVRYWAPGVPQWLPELIALGLLLCLNMVAVSLFGELEFWFALIKVVAIIAFILVGAYMILTHYTTDIGTASITNLWSHGGFFPTGAKGFILAFQMVTFAFAGIELVGLVAGETENPEKVLPEAINNIPIRIILFYLGSLFVIMAIYPWNSLNPDNSPFVEVFSEIGITIAASLINLVVLSAAASACNSAIYSTGRMLRSLAQEGSAPKKFKKLTTHHVPGNALTFSTIVIFISVILNYVMPSEVFTLVSSIATTCFLFIWSMLVYTHMKYRKSILGKKAHSFKMPLYPFSNYLVFLYMAFVCVVLFLGKD------TRIALLLTPVWFLLLLLIYHMKYERKK----- 1BGY Chain:C ((1-379)) MTNIRKSHPLMKIVNNA-FIDLPAPSNISSWWNFGSLLGICLILQILTGLFLA--------MHYTSDTTTAFSSVTHICRDVNYGWIIRYMHANGASMFFICLYMHVGRGLYYGSYT----------FLETWNIGVILLLTVMATAFMGYVLPW-------GQMSFWGATVITNLLSAIPYIGTNLVEWIWGGFSVDKATLTRFFAFHFILPFIIMAIAMVHLLFLHETGSNN--PTGISS-------------------------DVDKIPFHPYYTIKDILGALLLILALMLLVLFAP------------DLLGDPDNYTPANPLNTPPHIKPEWYFLFAYAILRSI------PNKLGGVLALAFSILILALIPLL---HTSKQRS----------MMFRPLSQCLFWALVADLLTLTWIGGQPVEHPYITIGQLASVLYFLLILVLMPTAGTIENKLLKW

General information: TITO was launched using: RESULT: Template: 1BGY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1504 -193000 -128.32 -528.77 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain C : 0.64 3D Compatibility (PKB) : -128.32 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.216

(partial model without unconserved sides chains): PDB file : Tito_1BGY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BGY-query.scw PDB file : Tito_Scwrl_1BGY.pdb: