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 4Q1A Chain:A ((44-235)) ---ISIEGNIAAGKSTFVNILKQLSEDWEVVPEPVARWS-------LTMEQKNGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVYSDRYIFASNLYESESMNETEWTIYQDWHDWMNNQF---GQSLELDGIIYLQATPETCLHRIYLRGRNEEQ----GIPLEYLEKLHYKHESW-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 4Q1A.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 : 594 21244 35.76 137.05 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 35.76 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_4Q1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q1A-query.scw PDB file : Tito_Scwrl_4Q1A.pdb: