Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFTRINGVLHAEQCSLEQLAQQFGTPLYVYSKAAFEKHYLDMDRAFDFIDHQICFAVKSNSNIAVLNVLAKLGAGFDIVSGGELARVLKAGGDASKIVFSGLGKTEADIETSLNVGIACFNVESYAELDRIQKVAARLGKKAPISLRVNPDVDAKTHPYISTGLKENKFGIPSDAVYETYQYAASLPNLEIVGIDCHIGSQLTETKPFVDALDRVIVMIDELKKLGINLKHIDIGGGLGVCYKDETPPSVEEYANSMKPALEK-LGLKVYMEPGRSISANAGVLLTKVDLLKPTTHRNFAIIDAAMNDLIRPALYEAWMDIQPVVPRTDTEEKTWDLVGAICETGDFIGKDRSLALQENDLLTVLGAGAYGFVMSSNYNTRGRAAEVMVSGEKSYLIRERETVESLWEKERLLPEE 3N2B Chain:A ((33-441)) ------DGQLWAEQVPLADLANQYGTPLYVYSRATLERHWHAFDKSVGDYPHLICYAVKANSNLGVLNTLARLGSGFDIVSVGELERVLAAGGDPSKVVFSGVGKTEAEMKRALQLKIKCFNVESEPELQRLNKVAGELGVKAPISLRINPDVDAKTHPYISTGLRDNKFGITFDRAAQVYRLAHSLPNLDVHGIDCHIGSQLTALAPFIDATDRLLALIDSLKAEGIHIRHLDVGGGLGVVY-----PQPSEYAKALLDRLERHRDLELIFEPGRAIAANAGVLVTKVEFLKHT--KNFAIIDAAMNDLIR-------QDIIPLRPR-QGEAQTYDLVGPVCETSDFLGKDRDLVLQEGDLLAVRSSGAYGFTMSSNYNTRPRVAEVMVDGNKTYLVRQREELSSLWALESVLPE-

General information: TITO was launched using: RESULT: Template: 3N2B.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 : 2218 -177596 -80.07 -450.75 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -80.07 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_3N2B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N2B-query.scw PDB file : Tito_Scwrl_3N2B.pdb: