Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKGLGKGINALFNQVDLSEETVEEIKIADLRPNPYQPRKHFDDEALAELKESVLQHGILQPLIVRKSLKGYDIVAGERRFRAAKLAGLDTVPAIVRELSEALMREIALLENLQREDLSPLEEAQAYDSLLKHLDLTQEQLAKRLGKSRPHIANHLRLLTLPENIQQLIAEGTLSMGHGRTLLGLKNKNKLEPLVQKVIAEQLNVRQLEQLIQQLNQNVPRETKKKEPVKDAVLKERESYLQNYFGTTVNIKRQKKKGKIEIEFFSNEDLDRILELLSERES 4N9X Chain:A ((53-105)) -----------------------------------------------------------------------------------------------INAASECLLRHIGVWENLVAQRVSPYNDMQVWD----------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4N9X.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 : 24 -6829 -284.54 -206.94 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -284.54 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_4N9X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4N9X-query.scw PDB file : Tito_Scwrl_4N9X.pdb: