Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEMETRYTHSPEDIRHYSTEQLRKEFLVEKVFEPGKISLTYTHNDRMIFGGVTPTEKELEITLDKELGVDYFLERRELGVINIGGPGFIEIDGQKEEMKKQDGYYIGKETRHVVFSSQDAENPAKFYISSVPAHHKYPNVKISIDQVKPMETGEGLTLNERKIYQYIHPNVCESCQLQMGYTILEPGSAWNTMPCHTHERRMEAYVYFDYANEDTRVFHMMGKPDETKHLVVDNEQAIISPSWSIHSGVGTSNYSFIWAMCGENITYTDMDMVQMDQLK 1YWK Chain:A ((998-1260)) LQNMETRYTHSPADIRHYSTEQLRDEFLVEKVFIPGAISLTYTHNDRMIFGGVTPTTEELEIILDKELGVDYFLERRELGVINIGGPGFIEIDGAKETMKKQDGYYIGKETKHVRFSSENPDNPAKFYISCVPAHHKYPNVKISIDEITPMETGDPLTLNQRKIYQYIHPNVCESCQLQMGYTILEPGSAWNT--------RMEAYVYFDME-EDTRIFHMMGKPDETKHLVMSNEQAAISPSWSIHSGVGTSNYSFIWAMCGE----------------

General information: TITO was launched using: RESULT: Template: 1YWK.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 : 1584 -139585 -88.12 -547.39 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -88.12 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_1YWK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YWK-query.scw PDB file : Tito_Scwrl_1YWK.pdb: