Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMDASCL-TSYDYVLIGTYTWGDGDLPYEAEDF---FEEVKQIQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS 1BU5 Chain:A ((2-134)) --KALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFEGFDLVLLGCSTWGDDSIELQ-DDFIPLFDSLEETGAQGRKVACFGCGDSSYEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARD--------------------------

General information: TITO was launched using: RESULT: Template: 1BU5.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 : 655 -75359 -115.05 -584.17 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -115.05 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_1BU5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BU5-query.scw PDB file : Tito_Scwrl_1BU5.pdb: