Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRVPLQAQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKNEESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWS-VHAPSSRRTTLCGTLDYLPPEMIEGRMHDE-KVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKPSNCQNKESASKQS 5ES1 Chain:A ((16-268)) -----------------------------------------------------------------------------------------------------------------------------------NYRLLRTIGKGNFAKVKLARHILTGREVAIKIIDKTQLNPSSLQ-KLFREVRIMKGLNHPNIVKLFEVIETEKTLYLVMEYASAGEVFDYLVSHGRMKEKEARAKFRQIVSAVHYCHQKNIVHRDLKAENLLLDAEANIKIADFGFSN-------------SPPYAAPELFQGKKYDGPEVDIWSLGVILYTLVSGSLPFDGHNLKELRERVLRGKYRVPFYMSTDCESILRRFLVLNPAKRCTLEQIMKDKWI--------------------

General information: TITO was launched using: RESULT: Template: 5ES1.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 : 1126 -91714 -81.45 -385.35 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -81.45 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.304

(partial model without unconserved sides chains): PDB file : Tito_5ES1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5es1-query.scw PDB file : Tito_Scwrl_5ES1.pdb: