Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIEFVRIDDRLVHGQVVTTWLKKYDIEQVIIVNDRISEDKIRQSILKISAPVGLKIVFFSVKRFVEVLNS-VPIKKRTMLIYTNPKDVYDSIEGNLKLEYLNVGQMSKTEENEKVTGGVALGEEDKYYFKKIVDKGTRVEIQMVPNDKVTMLEKFL 1BLE Chain:A ((2-158)) MNIVLARIDDRFIHGQILTRWIKVHAADRIIVVSDDIAQDEMRKTLILSVAPSNVKASAVSVSKMAKAFHSPRYEGVTAMLLFENPSDIVSLIEAGVPIKTVNVGGMRFENHRRQITKSVSVTEQDIKAFETLSDKGVKLELRQLPSDASEDFVQIL

General information: TITO was launched using: RESULT: Template: 1BLE.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 : 752 -58016 -77.15 -371.90 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -77.15 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_1BLE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BLE-query.scw PDB file : Tito_Scwrl_1BLE.pdb: