Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEAILSRNHVKVKGSGKASIMFAPGFGCDQSVWNAVAPAFEEDHRVILFDYVGSGHSDLRAYDLNRYQTLDGYAQDVLDVCEALDLKETVFVGHSVGALIGMLASIRRPELFSHLVMVGPSPCYLNDPPEYYGGFEEEQLLGLLEMMEKNYIGWATVFAATVLNQPDRPEIKEELESRFCSTDPVIARQFAKAAFFSDHREDLSKVTVPSLILQCADDIIAPATVGKYMHQHLPYSSLKQ-MEARGHCPHMSHPDETIQLIGDYLKAHV 4JYM Chain:A ((8-268)) --------HNVKVIGSGEATIVLGHGFGTDQSVWKHLVPHLVDDYRVVLYDNMGAGTTNPDYFDFDRYSNLEGYSFDLIAILEDLKIESCIFVGHSVSAMIGVLASLNRPDLFSKIVMISASPRYVND-VDYQGGFEQEDLNQLFEAIRSNYKAWCLGFAPLAVGGDMDSIAVQEFSRTLFNMRPDIALSVGQTIFQSDMRQILPFVTVPCHILQSVKDLAVPVVVSEYLHANLGCESVVEVIPSDGHLPQLSSPDSVIPVILRHIRNDI

General information: TITO was launched using: RESULT: Template: 4JYM.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 : 1465 -196427 -134.08 -755.49 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -134.08 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.645

(partial model without unconserved sides chains): PDB file : Tito_4JYM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JYM-query.scw PDB file : Tito_Scwrl_4JYM.pdb: