Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEFINVSKSYGKKQALKDLSLSIRQGEIFGFLGHNGAGKSTTIKSLVSIIEPSSGTILVDGMKLTENRLSIKQKIGYVPDSPDIFLQLTAGEYWDLISAAYELDTQKKEKRLAELTALFDMYSHQNETIASFSHGMRQKTILIGTLLPDPDIWVLDEPLQGLDPQAAFDLKEMMKAHA-AKGKTVIFSTHVLDTAQQLCDKLAILKKGELIYQGAVSELLNGSPDETLEKIYLKMAGRQATGDGPYV 3RLF Chain:A ((4-224)) -VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTP-PAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHY-------------------------

General information: TITO was launched using: RESULT: Template: 3RLF.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 : 1090 -121733 -111.68 -553.33 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -111.68 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.538

(partial model without unconserved sides chains): PDB file : Tito_3RLF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RLF-query.scw PDB file : Tito_Scwrl_3RLF.pdb: