Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MFSIFYGKEKLAPSPNKIDILRSLVGGTVSIFILLWLSKLTHNIFIM--APFGATCVLLYTVSQSPLAQPRNIIFGHLISAFVGLFFLKFIGVSI----FTIAFSVGCAIALMQVFKCVHPPAGANPLVILLTASSIHYEWNFLIFPVLVGAVSLVLVAMLINNIKASTKWPMYGLGILNTKK- 1K45 Chain:A ((1-168)) MLVANINGGFESTPAGVVTDLAEGVEGWDLNVGSSV-TNPPVFEVLETSDAPEG-NKVLAVTVNGVGNNPWDIEATAFPVNVRPGVTYTYTIWARAEQDGAVVSFTVGNQ---------------SFQEYGRLHEQQITTEWQPFTFEFTVSDQETVIRAPIHFGYAANVGNTIYIDGLAIASQP

General information: TITO was launched using: RESULT: Template: 1K45.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 : 912 -37434 -41.05 -233.96 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -41.05 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.188

(partial model without unconserved sides chains): PDB file : Tito_1K45.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1K45-query.scw PDB file : Tito_Scwrl_1K45.pdb: