Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRGLYLITNDDPIQLLLEKLDAALATRQIAILQYRRKKIDKAEQPAEV---EQIKQLCEKYQIPFVINDDLKLAAQFGL-GVHLGQSDGEITDAKSQLPEGVIIGRTCLNSLELAQKAIADGATYVAFGAVYATATKPEAGNV-GIEVIKQAAAQ-YDLPICAIGGLTVENSKPVIEAGADLCAVISDILGRSTAEIPARVQAWAQLFS 3O15 Chain:A ((37-217)) -------TKADPVTVVQKALKGGAT-----LYQFREKGGDALTGEARIKFAEKAQAACREAGVPFIVNDDVELALNLKADGIHIGQEDANAKEVRAAIGD-MILGVSAHTMSEVKQ-AEEDGADYVGLGPIYPTETKKDTRAVQGVSLIEAVRRQGISIPIVGIGGITIDNAAPVIQAGADGVSMISAI---SQAEDP-----------

General information: TITO was launched using: RESULT: Template: 3O15.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 : 802 9700 12.09 55.43 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 12.09 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_3O15.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3O15-query.scw PDB file : Tito_Scwrl_3O15.pdb: