Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQKGRGLEILINEKQDGQWLFSVLKTALK-ASKPVIQDWMSHQQIKVNHESVL-NNMIVKKGDRVFIDLQESEASSVIPEYGELDILFEDNHMLIINKPAGIATHPNEDGQTGTLANLIAYHYQINGETCKVRHVHRLDQDTSGAIVFAKHRLAHAILDQQLEKKTLKRTYTAIAEGKLRTKKGTINSPIGRDRSHPTRRRVSPGGQTAVTHFKVMASNAKERLSLVELELETGRTHQIRVHLASLGHPLTGDSLYGGGSKLLNRQALHANKVQAVHPITDELIVAEAPFPADMKNLCRTYFS 5A2Q Chain:J ((103-159)) -------------EDFLERRLQTQVFKLGLAKSIHHARVLIRQRHIRVRKQVVNIPSFIVRLDSQKHIDF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5A2Q.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 180 -30637 -170.21 -557.04 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain J : 0.56 3D Compatibility (PKB) : -170.21 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_5A2Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A2Q-query.scw PDB file : Tito_Scwrl_5A2Q.pdb: