Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTSSERAALERHGGHKTPRRDSSGGTKDGDRPKILMDSPEDADLFHSEEIKAPEKEEFLAWQHDLEVNDKAPAQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPEGEHQYKFFVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCSDVSELSSSPPGPYHQEPYVCKPEERFRAPPILPPHLLQVILNKDTGISCDPALLPEPNHVMLNHLYALSIKDGVMVLSATHRYKKKYVTTLLYKPI 4YEF Chain:B ((6-88)) ------------------------------------------------------------------------PNSQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSQNNFVAILDLPEGEHQYKFFVDGQWTHDPSEPIVTSQLGTVNNIIQV-------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YEF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 342 -24603 -71.94 -296.42 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -71.94 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.631

(partial model without unconserved sides chains): PDB file : Tito_4YEF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YEF-query.scw PDB file : Tito_Scwrl_4YEF.pdb: