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

General information: TITO was launched using: RESULT: Template: 3KSG.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 : 658 -86963 -132.16 -608.13 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -132.16 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.530

(partial model without unconserved sides chains): PDB file : Tito_3KSG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KSG-query.scw PDB file : Tito_Scwrl_3KSG.pdb: