Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSELFSVPYFIENLKQHIEMNQSEDKIHAMNSYYRSVVSTLVQ-DQLTKNAVVLKRIQHLDEAYNKVKRGESK------------------ 4R2F Chain:A ((38-431)) GAIKFWDMPWATPAYNDAAKKIAEGFSGANSKATYQIIQWNNFYQTFSSAIASKTGPAVSTGGGFQAFQFEEQGQIAYADKVIEKLKSNGQFDDFLPGVVEPFKTSKGYVAVPWQLDIRPLWYRKSLFEKAGVGVPTDWASLLEAGKKLKGVGAVGFATGSGAGNNIGNHLMIMMMLNNGGGVFTKDGELDVLNDRNVEAVEFLLELVSNGVIDPAAVSYTTDNLNAQWKDSKAAYGMLTLGVPERVGDTSGDIVVASPIAGPHGDKAALIFPNNIMMYTNTPSQEASEEFVVYYLGKLKELWQQKLMNALPVF-KSITEMPEFTADPNNVKIVNEYVPIAKTFASQGTALSANLAALDGGQALNQFTQTVLTGKTDAKSALTAFDTGLKSVLKK

General information: TITO was launched using: RESULT: Template: 4R2F.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 : 213 2333 10.95 32.86 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : 10.95 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.418

(partial model without unconserved sides chains): PDB file : Tito_4R2F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R2F-query.scw PDB file : Tito_Scwrl_4R2F.pdb: