Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVVCIGCGVTIQTEDKTGLGYAPPASLTKENVICQRCFRLKNYNEIQDVSLTDDDFLNILHGIGETDSLVVKIVDIFDFN--GSWINGLQRLVG--GNPILLVGNKADILPKSLKRERLIQWMKREAKELGLKPVDVFLVSAGRGQGIREVIDAIEHYRNGKDVYVVGCTNVGKSTFINRIIKEVSGE-EDIITTSQFPGTTLDAIEIPLDDGSSLYDTPGIINNHQMAHYVNKKDLKILSPKKELKPRTFQLNDQQTLYFGGLARFDYVSGERSPFICYMPNELMIHRTKLENADALYEKHAGELLTPPGKDEMDEFPELVAHTFTIKDKKTDIVFSGLGWVTVHDADKKVTAYAPKGVHVFVRRSLI 2YV5 Chain:A ((65-230)) -----------------------------------------------------VEERKNLLIRPKVANVDRVIIVETLKMPEFNNYLLDNMLVVYEYFKVEPVIVFNKIDLLNEEE-KKELERWIS-IYRDAG---YDVLKVSAKTGEGIDELVDYLE----GFICILAGPSGVGKSSILSRLTGEELRTQEV---------TTTGVRLIPFGKGSFVGDTPGFSKVE-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2YV5.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 : 724 -12685 -17.52 -83.45 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -17.52 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.595

(partial model without unconserved sides chains): PDB file : Tito_2YV5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YV5-query.scw PDB file : Tito_Scwrl_2YV5.pdb: