Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFKKLAASAGIGAAKVDTILEKD----AYFPGEEVQGTVHVKGGKIAQDIRYIDLQLSTRYVIVKDDEEH-----RKYATIHSFRVTG------------SFTIQPGEEHQFPFTFTLPLDTPITVG------------KVEVAVVTDLDIQGGIDK-SDHDRIFVEAHPWIENVLEAIENLGFRLNEADCEQAPYFQRRLPFVQEFEFVPTSGYYRQMLDELELIFLLDEDGLEIIFEVDRRARGLRGWLEEMYNDGEQLVRVRFSQSELEDTEELEEVLEEILDQYAE 1SUJ Chain:A ((15-178)) ---------------AKLSIYLGKRDFVDHVEHVEPVDGVVLID-PE-YLKDRKVFVTLTCAFRYGRDDLDLIGMSFRKDLYSLATQVYPPETKEPLTPLQEKLMKKLGA-HAYPFCFKMGTNLPCSVTLQPGPDDTGKSCGVDFEVKAFCAENLEEKIHKRNSVQLVIRKVQFA---------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1SUJ.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 : 508 -64775 -127.51 -526.62 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -127.51 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_1SUJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SUJ-query.scw PDB file : Tito_Scwrl_1SUJ.pdb: