Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLYDITIVGGGPVGLFAAFYAHLRQAKVQIIDSLPQLGGQPAILYPEKEILDVPG-FPNLTGEELTNRLIEQLNGFDTPI---HLNETVLEIDKQEEEFAITTSKGSHLTKTVIIAMGGGAFKPRPLELEGVEDYENIHYHVSNIQQ---YAGKKVTILGGGDSAVDWALAFEKIAPTT-LVHRRDNFRA----LEHSVQALQESSVTIKTPFAPSQLLGDGKTLDKLEITKVKSDETETIDLDHLFVNYGFKSSVGNLKNWGLDLNRHKIIVNS-----KQESSQAGIYAIGDCCYYDGKIDLIATGLGEAPTAVNNAINYIDPEQKVQPKHSTSL 5U63 Chain:A ((12-320)) ------LLILGSGPAGYTAAIYAARANLKPVLVTGLQQ-GGQ---LTTTDEIENWPGDFEMTTGSGLMQRMLQHAEKFETEIVFDHINR----VDLSSRPFKLFGDVQNFTCDALIIATGASA---RYIGLPSEENYKGRGVSACATCDGFFYRNKPVGVIGGGNTAVEEALYLANIASTVHLIHRRDSFRAEKILIDRLYKKVEEGKIVLHTDRTLDEVLGDNMGVTGLRLANTKTGEKEELKLDGLFVAIGHSPNTEIFQGQ-LELNNGYIVVKSGLDGNATATSVEGVFAAGDVMDHNYRQAITSAGTG--CMAALDAERYLDAQE----------

General information: TITO was launched using: RESULT: Template: 5U63.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 : 1638 28212 17.22 96.62 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 17.22 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_5U63.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5U63-query.scw PDB file : Tito_Scwrl_5U63.pdb: