Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLLKSMNRALKYIEENLTNDIDFQEAAKLAFCSEYHFKRMFSFLAGISLSEYIRRRRLTLAAFELKDSNVKVIDIAIKYGYNSPDSFARAFQNLHGINPSKARFNGHSLKAYPRMTFQLTIKGGNEMNYRIEEKEAFRIVGIKKRVPIIFKGINPEIASMWESLDEKAINKLKELSNVAPSGLISASTNFSEGRTEENGELDHYIGAATTKRCPDNFSRLEVPASTWAVFESIGPFPDTLQEVWGRIYSEWFPSSNYEQIEGPEILWNEHKDVTSPSFKSEIWIPITKK 3W6V Chain:A ((37-140)) ---SDPLAEVVAWALEHLHEQFDVETLAARAYMSRRTFDRRFRSLTGSAPLQWLITQRVLQAQRLLETSDYSVDEVAGRCGFRSPVALRGHFRRQLGSSPAAYRAAY---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W6V.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 : 388 -44220 -113.97 -425.19 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -113.97 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.684

(partial model without unconserved sides chains): PDB file : Tito_3W6V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W6V-query.scw PDB file : Tito_Scwrl_3W6V.pdb: