Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKSEKQSRYQMLNEELSFLLEGETNVLANLSNASALIKSRFPNTVFAGFYLFDGKELVLGPFQGGVSCIRIALGKGVCGEAAHFQETVIVGDVTTYLNYISCDSLAKSEIVVPMMKNGQLLGVLDLDSSEIEDYDAMDRDYLEQFVAILLEKTTWDFTMFEEKS 3KSH Chain:A ((13-155)) -------TNYTLLKKQAASLIEDEHHMIAILSNMSALLNDNLDQINWVGFYLLEQNELILGPFQGHPACVHIPIGKGVCGTAVSERRTQVVADVHQFKGHIACDANSKSEIVVPIFKDDKIIGVLDIDAPITDRFDDNDKEHLEAIVKII---------------

General information: TITO was launched using: RESULT: Template: 3KSH.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 : 706 -100614 -142.51 -703.59 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -142.51 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3KSH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KSH-query.scw PDB file : Tito_Scwrl_3KSH.pdb: