Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQKGRGLEILINEKQDGQWLFSVLKTALKASKPVIQDWMSHQQIKVNHESVLNNMIVKKGDRVFIDLQESEASSVIPEYGELDILFEDNHMLIINKPAGIATHPNEDGQTGTLANLIAYHYQINGETCKVRHVHRLDQDTSGAIVFAKHRLAHAILDQQLEKKTLKRTYTAIAEGKLRTKKGTINSPIGRDRSHPTRRRVSPGGQTAVTHFKVMASNAKERLSLVELELETGRTHQIRVHLASLGHPLTGDSLYGGGSKLLNRQALHANKVQAVHPITDELIVAEAPFPADMKNLCRTYFS 3DH3 Chain:A ((4-206)) ---------------DSSVRLNKYISESGICSRREADRYIEQGNVFLNGKRATIGDQVKPGDVVKVNGQLI-----E------PREAEDLVLIALNKPVGIVSTTEDGE-RDNIVDFVNH---S----KRVFPIGRLDKDSQGLIFLTNHGDLVNKILRAG--NDHEKEYLVTVDKPITEE--FIRG-MS---A-----GVPI--LGTVTKKCKVKK---EAPFVFRITLVQGLNRQIRRMCEHFGYEVKKLERT-----------------------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 891 -78223 -87.79 -385.33 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -87.79 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.250

(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: