Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQEMETRYTHSPEDIRHYSTEQLRKEFLVEKVFEPGKISLTYTHNDRMIFGGVTPTEKELEIT--LDKELGVDYFLERRELGVINIGGPGFIEIDGQKEEMKKQDGYYIGKETRHVVFSSQDAENPAKFYISSVPAHHKYPNVKISIDQVKPMETGEGLTLNERKIYQYIHPNVCESCQLQMGYTILEPGSAWNTMPCHTHERRMEAYVYFDYANEDTRVFHMMGKPDETKHLVVDNEQAIISPSWSIHSGVGTSNYSFIWAMCGENITYTDMDMVQMDQLK 1XRU Chain:A ((4-280)) ---MDVRQSIHSAHAKTLDTQGLRNEFLVEKVFVADEYTMVYSHIDRIIVGGIMPITKTVSVGGEVGKQLGVSYFLERRELGVINIGGAGTITVDGQCYEIGHRDALYVGKGAKEVVFASIDTGTPAKFYYNCAPAHTTYPTKKVTPDEVSPVTLGDNLTSNRRTINKYFVPDVLETCQLSMGLTELAPGNLWNTMPCHTHERRMEVYFYFN-MDDDACVFHMMGQPQETRHIVMHNEQAVISPSWSIHSGVGTKAYTFIWGMVGENQVFDDMDHVAVKEI-

General information: TITO was launched using: RESULT: Template: 1XRU.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 : 1676 -58584 -34.95 -213.03 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -34.95 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.606

(partial model without unconserved sides chains): PDB file : Tito_1XRU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XRU-query.scw PDB file : Tito_Scwrl_1XRU.pdb: