Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVYTKLSDEYIKNILKSYSFKKVDRIEEISEGILNTNYFVEGDKGKFIFRILEGERDYTEEVKELEFLEYLNLNGFPCPTAIKNDLGENYTFIDGKMTSVFTFIEGEKVKSINENNIKEIGQKLGKMHNLLKDRDIKRN-RKI-DMQYFYDII----SKAD----------LR-------GILKDDYDF---IMKYYERA-S-KIDY-SNLPFGIIHNDIFPDNVFMQEGEISGIIDFNDCLRGPLILDLAIVISFWIRNRGFSDEVENRLTEVFLNAYESERKITEEEKELMNEALIRIALTFIFLRVNKFHVEDNSSVNMEFKNYKDLLPLLRYF 2Q83 Chain:A ((22-303)) ----------LAENVLQGWDVQ-AEKIDVIQ----ALVWKVHTDSGAVCLKRIHRP--EKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTT--G-VWDDETFNVMLNAYESRAPLTEEQKQVMFIDM----------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 964 -54248 -56.27 -217.86 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -56.27 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: