Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADRYVLIEVNEDGEGRLKDEAVTWIDFRLSIVDFNASEGLNQLMEQISKDVKD-ELVLVLFNYRVKSSYDSWSGA-TEYEDFFD----VEFFKVIKKNYKKFYQGLVTVELDVGINGFDNIESMPTDSNQNYYRNLIAEWEEFYNEDFIPLSLNKR 4LB8 Chain:A ((24-110)) ----------------------------DGTMIKFKDVESYENALLKVS-AMSTSEQVSFLNSLSFKSQMILMQEADGELDKICNQAADKAEFDVLYEKYKHKYGDVF---MFNTIDAT--------------------------------------

General information: TITO was launched using: RESULT: Template: 4LB8.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 : 138 1418 10.27 17.50 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 10.27 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_4LB8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LB8-query.scw PDB file : Tito_Scwrl_4LB8.pdb: