Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNNLPIIALDFASAEETLAFLAPFQQEPLFVKVGMELFYQEGPSIVKQLKE-RNCELFLDLKLHDIPTTVNKAMKRLASLGVDLVNVHAAGGKKMMQAALEGLEEGTPAGKKRPSLIAVTQLTSTSEQIMKDELLIEKSLIDTVVHYSKQAEESGLDGVVCSVHEAKAIYQAVSPSFLTVTPGIRMSEDAANDQVRVATPAIAREKGSSAIVVGRSITKAEDPVKAYKAVRLEWEGIKS 3RU6 Chain:A ((24-251)) --AMKLCVALDLSTKEECLQLAKELKNLDIWLKVGLRAYLRDGFKFIEELKKVDDFKIFLDLKFHDIPNTMADACEEVSKLGVDMINIHASAGKIAIQEVMTRLSKFSK----RPLVLAVSALTSFDEENFFS--IYRQKIEEAVINFSKISYENGLDGMVCSVFESKKIKEHTSSNFLTLTPGIRPFG--------VANLAMARENLSDYIVVGRPIYKNENPRAVCEKILNKIH----

General information: TITO was launched using: RESULT: Template: 3RU6.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 : 1132 -161648 -142.80 -738.12 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -142.80 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.635

(partial model without unconserved sides chains): PDB file : Tito_3RU6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RU6-query.scw PDB file : Tito_Scwrl_3RU6.pdb: