Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEFINVSKSYGKKQALKDLSLSIRQGEIFGFLGHNGAGKSTTIKSLVSIIEPSSGTILVDGMKLTENRLSIKQKIGYVPDSPDIFLQLTAGEYWDLISAAYELDTQKKEKRLAELTALFDMYSHQNETIASFSHGMRQKTILIGTLLPDPDIWVLDEPLQGLDPQAAFDLKEMMKAHA-AKGKTVIFSTHVLDTAQQLCDKLAILKKGELIYQGAVSELLNGSPDETLEKIYLKMAGRQATGDGPYV 2AWN Chain:B ((4-224)) -VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTP-PAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHY-------------------------

General information: TITO was launched using: RESULT: Template: 2AWN.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 : 1123 -127698 -113.71 -580.45 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -113.71 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_2AWN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AWN-query.scw PDB file : Tito_Scwrl_2AWN.pdb: