Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVVCIGCGVTIQTEDKTGLGYAPPASLTKENVICQRCFRLKNYNEIQDVSLTDDDFLNILHGIGETDSLVVKIVDIFDFNGSWINGLQRLVGGNPILLVGNKADILPKSLKRERLIQWMKREAKELGLKPVDVFLVSAGRGQGIREVIDAIEHYRNGKDVYVVGCTNVGKSTFINRII-KEVSGEEDIITTSQFPGTTLDAIEIPLDDGSSLYDTPGIINNHQMAHYVNKKDLKILSPKKELKPRTFQLNDQQTLYFGGLARFDYVSGERSPFICYMPNELMIHRTKLENADALYEKHAGELLTPPGKDEMDEFPELVAHTFTIKDKKTDIVFSGLGWVTVHDADKKVTAYAPKGVHVFVRRSLI 2YV5 Chain:A ((144-226)) -------------------------------------------------------------------------------------------------------------------------------------DVLKVSAKTGEGIDELVDYLE----GFICILAGPSGVGKSSILSRLTGEELRTQEV---------TTTGVRLIPFGKGSFVGDTPGF---------------------------------------------------------------------------------------------------------------------------------------------------

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 : 241 -10564 -43.83 -144.71 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -43.83 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.610

(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: