Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMDASCL-TSYDYVLIGTYTWGDGDLPYEAEDF---FEEVKQIQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS 1AKW Chain:A ((2-134)) --KALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFEGFDLVLLGCSTWLDDSIELQ-DDFIPLFDSLEETGAQGRKVACFGCGDSSYEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARD--------------------------

General information: TITO was launched using: RESULT: Template: 1AKW.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 : 638 -72425 -113.52 -561.43 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -113.52 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.510

(partial model without unconserved sides chains): PDB file : Tito_1AKW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AKW-query.scw PDB file : Tito_Scwrl_1AKW.pdb: