Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------MWKEIRKRGFKNKAFRTLEDVMNQLQDVIQGLEKEVIKSIVNRRWTRMLFENR------------------------------------------------------------------------------ 4LEU Chain:A ((71-252)) KLIGKEALFVILGLKRLKEDDEKLDKFIKTHVFRLLKLDMLAVIGELERQEETALAIKMFEVIQKQEWYQPD-------VFMYKDLIVSLAKSKRMDEAMALWEKMKKENLFPDSQTYTEVIRGFLRDGCPADAMNVYEDMLKSPDPPEELPFRVLLKGLLPHPLLRNKVKKDFEELFPEKHAYDPPEE

General information: TITO was launched using: RESULT: Template: 4LEU.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 : 118 19250 163.13 418.47 target 2D structure prediction score : 0.85 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 163.13 2D Compatibility (Sec. Struct. Predict.) : 0.85 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.358

(partial model without unconserved sides chains): PDB file : Tito_4LEU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LEU-query.scw PDB file : Tito_Scwrl_4LEU.pdb: