Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTATADIIAGLRAAGLTGE-GEVVLEPLTGGVSCDVWRVDGP-AGPIVVKRPLEQLRVAAEWHAPVERGASEVRWLRRARGVDPHLVPEVLAELP--------GHGFAMRFLPDCPVWKDELIAGRVDPAFAAAVGRGIVAVHAATANSAADRDAF--PTDAMFR-ALR-VDPFLLFVAQKDAELASALYA-LADD-LSSRKVALVHGDVSPKNILVGA-D-GPVFLDAECAVYGDPAFDLAFCTTHLLLKAVWLGHERLGEAAAALVEAYRAGIDWEDADALALRAGKLTAALLLARVEGKSPAPYLTDPHHKQIVRDQARALLLAPTPIDALVANWKRTKE 5IGI Chain:A ((6-280)) --TADTSQLYALAAR-H-GLKLHGPLTVNELGLDYRIVIATVDDGRRWVLRIPRRAE--------VSAKVEPEARVLAMLKNRLPFAVPDWRVANAELVAYPMLEDSTA-VIQPGSSTPDWV--VPQDSEVFAESFATALAALHAVPISAAVDAGMLIRTPTQARQKVADDVDRVRREFVV-NDKRLHRWQRWLDDDSSWPDFSVVVHGDLYVGHVLIDNTERVSGMIDWSEARVDDPAIDMAAHLMVFG-----------EEGLAKLLLTYEAAGGRVWP-RLAHHIAERLAFGAVTYALF------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IGI.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 : 1123 -21443 -19.09 -83.76 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -19.09 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.280

(partial model without unconserved sides chains): PDB file : Tito_5IGI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igi-query.scw PDB file : Tito_Scwrl_5IGI.pdb: