Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFHLLGAQQNQKLKRRRFFCPVCGGELAVKLGLQKAPHFAHKQNKSCAIDIEPESAYHLEGKRQLYVWLKTQRASPILEPYIRTINQRPDVMARIKEHMLAVEYQCATIAPDVFQKRTEGFKQEGIIPQWIMGYSRLKRTASSFYQLSTFHWQFINASPYRELICYCPERRSFLRLSHIIPFYTNHSYSSVQTIPIHRAGAGDLFFTEPKPSIQYSGWTKAIHRFRHKPHRFNSKETNRLRLLFYEKRQTPFSFLPT----EVFVPVRKGAVFKSPVFVWQGFLYLFMTDLGGKRAPIRFSAVLQQCKLHIHNKNIALRSECSEECLSEAVKQYIDFLCKKGFLRETQKEVYVLNQPAGGIHSMQDLIERDRSCFIE 4P4M Chain:A ((92-378)) ---KPKLKAIQELTQVHGFGPRAAAALFDREGIFTVDELLQKADS-----IPSLTDQQRVGIK-----------------YFYDINEKIP-MQESVLHENYLREKCMEVLGKD-------------FSILICGSYRRRHPFSG--DVDAILSRTLDAPPLSEPVAATG------VLGHFVEFLESLKY---------------LEATMAQGPLKYMGMGRLPPRINTKVYK-----ARRVDIRLIETKSVPTAMLTFTGSKNFNVIMRQAAISKGYLLNEYGLFKLGTPEEARGKNA---GEELGVPKDELEDKRVEVRS--------------------------EQDVFDVLGMPYAKPEN------RDP-----

General information: TITO was launched using: RESULT: Template: 4P4M.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 : 1163 -92754 -79.75 -348.70 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -79.75 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.205

(partial model without unconserved sides chains): PDB file : Tito_4P4M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P4M-query.scw PDB file : Tito_Scwrl_4P4M.pdb: