Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAQLFVVATPIGHLDDMTFRAIDILKSVSVVAAEDTRQSAQLFKHYNISTPLTAC-HDHNESNKIEQLVQKLLAGENIALISDAGTPLISDPGFKLVRAAQEHGIRVVPVPGACAAIAALSAVGLPSD------RFSFEGFLPSKASQRITQLEKLKNETQTLIFYEAPHRILECVKNMAEV-FGENRPVGFAREITKTFETIKKMTLKDLVSFIENDHNQEKGEIVLVVGGAPEKTDQEQEKLDELLKRLLQDLSVKAASQLAADLTGIKKKVAYQRALELTQS 2YBQ Chain:A ((21-258)) PAGSVALVGAGPGDPGLLTLRAWALLQQAEVVVYDR-LVARELIALLPESCQRIYVG---PQEEINELLVRLARQQRRVVRLK-GGDPFIFGRGAEELERLLEAGVDCQVVPGVTAASGCSTYAGIPLTHRDLAQSCTFVTGHLQ----LDLDWAGLARGKQTLVFYMGLGNLAEIAARLVEHGLASDTPAALVSQGTQAGQQVTRGALAELPALARR--YQLKPPTLIVVGQVVAL-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2YBQ.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 : 1102 -53196 -48.27 -244.02 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -48.27 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_2YBQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YBQ-query.scw PDB file : Tito_Scwrl_2YBQ.pdb: