Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMDASCL-TSYDYVLIGTYTWGDGDLPYEAEDF---FEEVKQIQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS 1XYY Chain:A ((2-135)) -AKALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFEGFDLVLLGCSTWGD-DCIELQDDFIPLFDSLEETGAQGRKVACFGCGDSSYEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARD--------------------------

General information: TITO was launched using: RESULT: Template: 1XYY.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 : 672 -79312 -118.02 -610.09 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -118.02 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_1XYY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XYY-query.scw PDB file : Tito_Scwrl_1XYY.pdb: