Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAACTARRALAVGSRWWSRSLTGARWPRPLCAAAGAGAFSPASTTTTRRHLSSRNRPEGKVLETVGVFEVPKQNGKYETGQLFLHSIFGYRGVVLFPWQARLYDRDVASAAPEKAENPAGHGSKEVKGKTHTYYQVLIDARDCPHISQRSQTEAVTFLANHDDSRALYAIPGLDYVSHEDILPYTSTDQVPIQHELFERFLLY----DQTKAPPFVARETLRAWQEKNH-PWLELSDVHRETTENIRVTVIPFYMGMREAQNSH-------VYWWRYCIRLENLDSDVVQLRERHWRIFSLSGTLETVRGRGVVGREPVLSKEQPAFQYSSHVSLQASSGHMWGTFRFERPDGSHFDVRIPPFSLESNKDEKTPPSGLHW 1WYK Chain:A ((1-152)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MRLFDVKNEDGDVIGHALAMEGKVMKPLHVKGTIDHPVLSKLKFTKSSAYDMEFAQLPVNMRSEAFTYTSEHPEGFYNWHH---------GAVQYSGGRFTIPRGVG------GRGDSGR-----------------PIMDNSGRVVAIVLGGADEGTRTALSVVTWNSKGKTIKTTPEGTEEW

General information: TITO was launched using: RESULT: Template: 1WYK.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 : 664 11201 16.87 80.00 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 16.87 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.177

(partial model without unconserved sides chains): PDB file : Tito_1WYK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WYK-query.scw PDB file : Tito_Scwrl_1WYK.pdb: