Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVIVLAGTIGAGKSSLT----------EMMAEHFDSQAFYESIDD---------NEVLPLFYANPEQYAFLLQIYFLNKR----FASIKQAMKD-DNNVL--DRSIYEDSLLFHLNA-DLGRATETEVRVYDELLENMMEELPYAAHKKHPDLLVHIRVSFDTMLERIEKRGRSYEQLSFDPSLYDYYKELNRRYDQWYEEYKESPKIQIDGDRYNFVEDPQAKEEVLKMIEEKLAEIRQTKVAI 4JLJ Chain:A ((44-235)) ---ISIEGNIAAGKSTFVNILKQLSEDWEVVPEPVARWSN------ELTMEQKNGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVYSDRYIFASNLYESESMNETEWTIYQDWHDWMNNQF---GQSLELDGIIYLQATPETCLHRIYLRGRNEEQ----GIPLEYLEKLHYKHESW-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 4JLJ.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 : 587 15587 26.55 99.92 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 26.55 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_4JLJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JLJ-query.scw PDB file : Tito_Scwrl_4JLJ.pdb: