Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDEFDLIHSITPRTIHHSSVDVGIGDDAALYTAKHGVQEIVCVDTMVEDVHFKLHYSSPEDIGYKALAVNISDIAAMGGIPKFYLVSLAVPSKWTESEIKAMYEGMNELAKLYHMDLIGGDTVSTADKLVVTVTVIGEIEKGQACLRSLAKPNDIVFVTGEIGSSAAGLSLLLEETNPQNSSVETDYFIHRHKRPEPRVSVGRLCSIFKRAALNDVSDGLASELNEIAEASCVSIEIVESMLPIHSDLPKLHPN---WKEWALFGGEDFELTGTVSNEEWEVLKQECAALHLPITKIGYVREKTKSKVILKTDQTSMILEKKGYNHFK 3MCQ Chain:A ((8-309)) -----LIQRYFRRA--HPSAVLGVGDDAALIQPSPGMELAVSADMLVANTHFYPNID-PWLIGWKSLAVNISDMAAMGAQPRWATLTIALPEA-DEDWISKFAAGFFACAAQFDIALIGGDT--TRGPLTISVQIMGETPPGASLLRSTARADDDIWVSGPLGDAALALAAI--QGRYPLSDTELAACGKALHQPQPRVVLGQALRGLAHSAL-DISDGLLADLGHILEHSQVGAEVWLKAIP-KSEVVSAHSQEVAIQKMILSGGDDYELCFTASTQHRQQIADIGRQLSLDMAVIGRITD-TQQLVIHGLDDAPLT----------

General information: TITO was launched using: RESULT: Template: 3MCQ.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 : 1618 -163553 -101.08 -547.00 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -101.08 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.389

(partial model without unconserved sides chains): PDB file : Tito_3MCQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MCQ-query.scw PDB file : Tito_Scwrl_3MCQ.pdb: