Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEKLQKVLARIGLGSRRYMEEVIAAGRVSVNGRVAQVGERIEPGDELRIDGRKVQ-FQIEDEIRRRVLIYYKPEGEICSRNDPEKRPTVFDHLPQIANDRWVMVGRLDINSTGLLLFTNDGELANRLMHPSNEIEREYAVRVMGEVTPQLRQNMVNGVELEDGPAKFESFSEIGGEGINRWYQVVVKEGRNREVRRIFESQGLKVSRLLRTRYGTVILPRELRTGRWMELDKTDIDNLAKSVELKPRQGTGLFGMAKRRTERMTEKPMAARRGGYLRQQRRDDEKEAPANTGNQRKSTGFNRGFKKF 3DH3 Chain:B ((5-241)) SSVRLNKYISESGICSRREADRYIEQGNVFLNGKRATIGDQVKPGDVVKVNGQLIEPREAED---LVLIALNKPVGIVSTTEDGE-RDNIVDFVNH--SKRVFPIGRLDKDSQGLIFLTNHGDLVNKILRAGNDHEKEYLVTVDKPITEEFIRGMSAGVPILGTVTKKCKVKK----EAPFVFRITLVQGLNRQIRRMCEHFGYEVKKLERTRIMNVSLS-GIPLGEWRDLTDDELIDLFKLIENSSS------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DH3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1106 9107 8.23 38.59 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : 8.23 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_3DH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DH3-query.scw PDB file : Tito_Scwrl_3DH3.pdb: