Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTEVGPDDNVVNSFIITPPSPKSEWTIHDFELLHKLGGGNYGDVYLASVRKSNYVVAIKKLSIKKLAEFDIVNQLRREIEIAFNTRHKYLLRTYAYFFDEHDIYLILEPCSNGMLYSELNRVKMFPPPTAARYVAQLAEALLYLHQHHILHRDIKPENILLDHNQNIKLADFGWSVHDPLNRRKTSCGTPEYFPPEIVSRQIYDMSADLWCLGIFCFELLVGHTPFVSKDNDQIYKKIHAMQYTIPDSVPPEAKDLISNLLIREGSKRLALHRVLSHPFLLKYYYVPNGITPPTGKRPRS 4ZTS Chain:A ((9-265)) ------------------------QWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWS-------------TLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWI--------------------

General information: TITO was launched using: RESULT: Template: 4ZTS.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 : 1172 -180245 -153.79 -738.71 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -153.79 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_4ZTS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZTS-query.scw PDB file : Tito_Scwrl_4ZTS.pdb: