Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVFYIPKLDVMTKSTENIEKKIEAQLEKIKQLKAQKQAIEARERTKQKEQERKDDTRRKILLGSYLIKKMNANEANREKILAEFNEYLTDERDRKLFNL 4XYP Chain:A ((1-70)) --------------VKEKLNGIIDQINKVNLLLEGEIEAVRRIAYMNQASSLQNQVEIG-LIGEYL----NISSWLETKTLTKTEEGLM----------

General information: TITO was launched using: RESULT: Template: 4XYP.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 : 22 974 44.27 13.91 target 2D structure prediction score : 0.91 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 44.27 2D Compatibility (Sec. Struct. Predict.) : 0.91 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.793

(partial model without unconserved sides chains): PDB file : Tito_4XYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XYP-query.scw PDB file : Tito_Scwrl_4XYP.pdb: