Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKDQSKIPQATAKRLPLYYRFLKNLHASGKQRVSSAELSDAVKVDSATIRRDFSYFGALGKKGYGYNVDYLLSFFRKTLDQDEMTDVILIGVGNLGTAFLHYNFTKNNNTKISMAFDINESKIGTEVGGVPVYNLDDLEQHV-KDESVAILTVPAVAAQSITDRLVALGIKGILNFTPARLNVPEHIRIHHIDLAVELQSLVYFLKHYSVLEEIE 2DT5 Chain:A ((2-208)) ------KVPEAAISRLITYLRILEELEAQGVHRTSSEQLGGLAQVTAFQVRKDLSYFGSYGTRGVGYTVPVLKRELRHILGLNRKWGLCIVGMGRLGSALADYPG-FGESFELRGFFDVDPEKVGRPVRGGVIEHVDLLPQRVPGRIEIALLTVPREAAQKAADLLVAAGIKGILNFAPVVLEVPKEVAVENVDFLAGLTRLSFAILNPKWREE--

General information: TITO was launched using: RESULT: Template: 2DT5.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 : 836 -134864 -161.32 -654.68 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -161.32 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_2DT5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DT5-query.scw PDB file : Tito_Scwrl_2DT5.pdb: