Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MPNSQAKKGLFQFYPHNLIWLGLSVLAIVLDQWTKWIAST----HMNYADPVPVLPFLNWTLLHNYGAAFSFL----------SDAGGWQRYFFTSLAGLVSILFVFWLLRMPKKMVVLPVAIALILGGALGNLIDRI--TLGYVVDFIHVYYQNHHFPAFNIADSAITLGTIL-----------LLIDTFFLEKQRPKNSDA----------------------- 3AYV Chain:A ((1-241)) MDVRLAFPLSRAEEALPRLQALGLGAEVYLDPALLEEDALFQSLRRRFSGKLSVHLPFWNLDLLSPDPEVRGLTLRRLLFGLDRAAELGADRAVFHSGIPHGRTPEEALERALPLAEALGLVVRRARTLGVRLLLENSHEPHPEALRPVLEAHAGELGFCFDAAHARVFSRTPDPGPWLALAPEHLHLNDTDGVYDRHWNLGRGVLGHGAWLRPYLDRTMVLEVREDPEASLAFLQALAGE

General information: TITO was launched using: RESULT: Template: 3AYV.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 : 787 -26473 -33.64 -150.41 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -33.64 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.254

(partial model without unconserved sides chains): PDB file : Tito_3AYV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AYV-query.scw PDB file : Tito_Scwrl_3AYV.pdb: