Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVMLATALFLGLTPAGANAADLGHQTLGSNDGWGAYSTGTTGGSKASSSNVYTVSNRNQLVSALGKETNTTPKIIYIKGTIDMNVDDNLKPLGLNDYKDPEYDLDKYLKAYDPSTWGKKEPSGTQEEARARSQKNQKARVMVDIPANTTIVGSGTNAKVVGGNFQIK-SDNVIIRNIEFQDAYDYFPQWDPTDGSSGNWNSQYDNITINGGTHIWIDHCTFNDGSRPDSTSPKYYGRKYQHHDGQTDASNGANYITMSYNYYHDHDKSSIFGSSDSKTSDDG--KLKITLHHNRYKNIVQRAPRVRFGQVHVYNNYY----EGSTSSSSYPFSYAWGIGKSSKIYAQNNVIDVPGLSAAKTISVFSGGTALYDSGTLLNGTQINASAANGLSSSVGWTPSLHGSIDASANVKSNVINQAGAGKLN 3ZSC Chain:A ((64-244)) -----------------------------------------------------------------------------------------------------------------------------------------------IKVLSDKTIVGI-NDAKIVGGGLVIKDAQNVIIRNIHFEG---FYMEDDPR-----GKKYDFDYINVENSHHIWIDHITFVNGN-----------------DGAVDIKKYSNYITVSWNKFVDHDKVSLVGSSDKEDPEQAGQAYKVTYHHNYFKNLIQRMPRIRFGMAHVFNNFYSMGLRTGVSGNVFPI-YGVASAMGAKVHVEGN----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZSC.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 : 1072 -61301 -57.18 -352.30 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -57.18 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_3ZSC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZSC-query.scw PDB file : Tito_Scwrl_3ZSC.pdb: