Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVVAFKQVDVFTSQAFKGNPVAVIM----DASTLTSEQMQAIANWTNLSETTFVLPAIDSQADYQVRIFTPQSELPFAGHPTIGTAYALLEAGLVKAKEGQLVQQCAAGLVTLTVNDSNHISFELPKPKITPLDALQTQKLAEILKCKINTQWNAALVDVGARWVVLQAVNAKAVLASQPDLNALKQFSLEMKVTGSTIYGFYEESNEQKRIEVRSFAPAYGVNEDPVCGSGNGSVASFIRYHSILPAQNDVMLSSQGQALGREGQLQLELHQD-----KILVGGAAVTCIDGTIKL- 1YM5 Chain:A ((2-295)) TLMVPFKQVDVFTEKPFMGNPVAVINFLEIDENEVSQEELQAIANWTNLSETTFLFKPSDKKYDYKLRIFTPRSELPFAGHPTIGSCKAFLEFTKNT-TATSLVQECKIGAVPITINE-GLISFKAPMADYESISSEMIADYEKAIG--LKFIKPPALLHTGPEWIVALVEDAETCFNANPNFAMLAHQTKQNDHVGIILAGPKKEAAIKNSYEMRAFAPVINVYEDPVCGSGSVALARYLQEVY-KFEKTTDITISEGGRLKRNGLMLASIKKEADNSTSYYIAGHATTVIDGKIKVH

General information: TITO was launched using: RESULT: Template: 1YM5.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 : 1681 -3321 -1.98 -11.69 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -1.98 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_1YM5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YM5-query.scw PDB file : Tito_Scwrl_1YM5.pdb: