Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRKKMGLLVMAYGTPYKEEDIERYYTHI-------RRGRKPEPEMLQDLKDRYEAIGGISPLAQITEQQAHNLEQHLNEIQDEITFKAYIGLKHIEPFIEDAVAEMHKDGITEAVSIVLAPHFSTFSVQSYNKRAKEEAEKLGGLTITSVESWYDEPKFVTYWVDRVKETYASMPEDERENAMLIVSAHSLPEKIKEFGDPYPDQLHESAKLIAEGAGVSEYAVGWQSEGNTPDPWLGPDVQDLTRDLFEQKGYQAFVYVPVGFVADHLEVLY--DNDYECKVVTDDIGASYYRPEMPNAKPEFIDALATVVLKKLGR 1DOZ Chain:A ((1-309)) -SRKKMGLLVMAYGTPYKEEDIERYYTHIRRGRKPE-------PEMLQDLKDRYEAIGGISPLAQITEQQAHNLEQHLNEIQDEITFKAYIGLKHIEPFIEDAVAEMHKDGITEAVSIVLAPHFSTFSVQSYNKRAKEEAEKLGGLTITSVESWYDEPKFVTYWVDRVKETYASMPEDERENAMLIVSAHSLPEKIKEFGDPYPDQLHESAKLIAEGAGVSEYAVGWQSEGNTPDPWLGPDVQDLTRDLFEQKGYQAFVYVPVGFVADHLEVLYDNDYECK-VVTDDIGA-SYYRPEMPNAKPEFIDALATVVLKKLGR

General information: TITO was launched using: RESULT: Template: 1DOZ.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 : 1565 -167791 -107.21 -559.30 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.97 3D Compatibility (PKB) : -107.21 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.761

(partial model without unconserved sides chains): PDB file : Tito_1DOZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DOZ-query.scw PDB file : Tito_Scwrl_1DOZ.pdb: