Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRHKATIEGLVMKERYYSHRAPGTERWITQPVCKVTRTEPIFEGYIDIEPIEIGGKVYIPGLNEYVIVTDRQRNIHNEWTYQTDRVIKTIIDEKSLKECEEHNNKKAKNNDTQNQRQIKTSWWQRLTKKD 1RKI Chain:A ((1-101)) ------------MKKHIIIKTIPKKEEIISRDLCDCIYY---YDNSVICKPIG-PSKVYVSTSLENLEKCLQLHYFKKL--------------VKNIEIFDEVHNSKPNCDKCLIVEIGGVYFVRRVNGVP

General information: TITO was launched using: RESULT: Template: 1RKI.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 : 438 -40635 -92.77 -402.32 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -92.77 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.048

(partial model without unconserved sides chains): PDB file : Tito_1RKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RKI-query.scw PDB file : Tito_Scwrl_1RKI.pdb: