Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDKQFAIPKATAKRLSLYYRIFKRFHAEKIERANSKQIAEAIGIDSATVRRDFSYFGELGRRGFGYDVKKLMTFFADLLNDNSITNVMLVGIGNMGHALLHYRFHERNKMKIIMAFDLDDHPEVGTQTPDGIPIYGISQIKDKIKDTDVKTAILTVPSVKSQEVANLLVDAGVKGILSFSPVHLHLPKDVVVQYVDLTSELQTLLYFMRKED 3KEQ Chain:A ((6-211)) ------SIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGE-------YDVKKLMNFFAEILN---TTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHLIDSDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFMNQQ-

General information: TITO was launched using: RESULT: Template: 3KEQ.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 : 775 -152036 -196.18 -775.69 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.93 3D Compatibility (PKB) : -196.18 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_3KEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KEQ-query.scw PDB file : Tito_Scwrl_3KEQ.pdb: