Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEARKRMVKRAVQEIKDGMNVNLGIGMPTLVANEIPDGVHVMLQSENGLLGIGPYPLEGTEDADLINAGKETITEVTGASYFDSAESFAMIRGGHIDLAILGGMEVSEQGDLANWMIPGKMVKGMGGAMDLVNGAK-RIVVIMEHVNKHGESKVKKTCSLPLTGQKVVHRLITDLAVFDFVNGR-MTLTELQDGVTIEEVYEKTEADFAVSQSVLNS 3OXO Chain:A ((263-474)) ----RERIIKRAALEFEDGMYANLGIGIPLLASNFISPNMTVHLQSENGILGLGPYPLQNEVDADLINAGKETVTVLPGASYFSSDESFAMIRGGHVNLTMLGAMQVSKYGDLANWMIPGKLVKGMGGAMDLVSSAKTKVVVTMEHSAKGNAHKIMEKCTLPLTGKQCVNRIITEKAVFDVDRKKGLTLIELWEGLTVDDIKKSTGCDFAVSPKLI--

General information: TITO was launched using: RESULT: Template: 3OXO.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 : 1083 -52612 -48.58 -250.53 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -48.58 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_3OXO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OXO-query.scw PDB file : Tito_Scwrl_3OXO.pdb: