Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDLLKSMNRALKYIEENLTNDIDFQEAAKLAFCSEYHFKRMFSFLAGISLSEYIRRRRLTLAAFELKDSNVKVIDIAIKYGYNSPDSFARAFQNLHGINPSKARFNGHSLKAYPRMTFQLTIKGGNEMNYRIEEKEAFRIVGIKKRVPIIFKGINPEIASMWESLDEKAINKLKELSNVAPSGLISASTNFSEGRTEENGELDHYIGAATTKRCPDNFSRLEVPASTWAVFESIGPFPDTLQEVWGRIYSEWFPSSNYEQIEGPEILWNEHKDVTSPSFKSEIWIPITKK 3OOU Chain:A ((7-104)) ------IQNVLSYITEHFSEGMSLKTLGNDFHINAVYLGQLFQKEMGEHFTDYLNRYRVNYAKEELLQTKDNLTIIAGKSGYTDMAYFYRQFKKHTGETPNRYR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OOU.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 : 327 -37354 -114.23 -381.16 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -114.23 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.693

(partial model without unconserved sides chains): PDB file : Tito_3OOU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OOU-query.scw PDB file : Tito_Scwrl_3OOU.pdb: