Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNNLPIIALDFASAEETLAFLAPFQQEPLFVKVGMELFYQEGP----SIVKQLKERNCELFLDLKLHDIPTTVNKAMKRLASLGVDLVNVHAAGGKKMMQAALEGLEEGTPAGKKRPSLIAVTQLTSTSEQIMKDELLIEKSLIDTVVHYSKQAEES-GLDGVVCSVHEAKAIYQAVSPSFLTVTPGIRMSE-DAANDQVRVATPAIAREKGSSAIVVGRSITKA-EDPVKAYKAVRLEWEGIKS 1DBT Chain:A ((1-237)) MKNNLPIIALDFASAEETLAFLAPFQQEPLFVKVGMELFYQEGPSIVKQLKER----NCELFLDLKLHDIPTTVNKAMKRLASLGVDLVNVHAAGGKKMMQAALEGLEEGTPAGKKRPSLIAVTQLTSTSEQIMKDELLIEKSLIDTVVHYSKQAEE-SGLDGVVCSVHEAKAIYQAVSPSFLTVTPGIRM-SEDAANDQVRVATPAIAREKGSSAIVVGRSITKAE-DPVKAYKAVRLEWEGI--

General information: TITO was launched using: RESULT: Template: 1DBT.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 : 1239 -120567 -97.31 -524.20 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.97 3D Compatibility (PKB) : -97.31 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.604

(partial model without unconserved sides chains): PDB file : Tito_1DBT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DBT-query.scw PDB file : Tito_Scwrl_1DBT.pdb: