Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFLHVDHVTHTYFSIKEKTTAVRDIHFDAEKGDFISFLGPSGCGKTTLLSIIAGLIEPSEGRVLIEGREPNQ---KEHNIGYMLQQDYLFPWKSIEENVLLGLKIADTLTEESKAAALGLLPEFGLIDVEKKYPKELSGGMRQRAALARTLAPNPSLLLLDEPFSALDFQTKLSLENLVFRTLKEYQKTAVLVTHDIGEAIAMSDTIFLFSNQPGTIHQIFTIPKELAAMLPFDARQEPSFQTLFQTIWKELNSLEKQQRNH 4KHZ Chain:A ((2-215)) -ASVQLQNVTKAWGEV----VVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLD--AGRVAQV------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KHZ.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 : 1062 -68867 -64.85 -326.38 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -64.85 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_4KHZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KHZ-query.scw PDB file : Tito_Scwrl_4KHZ.pdb: