Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEMETRYTHSPEDIRHYSTEQLRKEFLVEKVFEPGKISLTYTHNDRMIFGGVTPTEKELEITLDKELGVDYFLERRELGVINIGGPGFIEIDGQKEEMKKQDGYYIGKETRHVVFSSQDAENPAKFYISSVPAHHKYPNVKISIDQVKPMETGEGLTLNERKIYQYIHPNVCESCQLQMGYTILEPGSAWNTMPCHTHERRMEAYVYFDYANEDTRVFHMMGKPDETKHLVVDNEQAIISPSWSIHSGVGTSNYSFIWAMCGENITYTDMDMVQMDQLK 1YWK Chain:C ((999-1259)) -QNMETRYTHSPADIRHYSTEQLRDEFLVEKVFIPGAISLTYTHNDRMIFGGVTPTTEELEIILDKELGVDYFLERRELGVINIGGPGFIEIDGAKETMKKQDGYYIGKETKHVRFSSENPDNPAKFYISCVPAHHKYPNVKISIDEITPMETGDPLTLNQRKIYQYIHPNVCESCQLQMGYTILEPGSAWNT--------RMEAYVYFDME-EDTRIFHMMGKPDETKHLVMSNEQAAISPSWSIHSGVGTSNYSFIWAMCG-----------------

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 C - contact count / total energy / energy per contact / energy per residue : 1569 -137750 -87.79 -544.47 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain C : 0.93 3D Compatibility (PKB) : -87.79 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.579

(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: