Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRFAINGYGEAQDVFEEIDAHPREVGSGHVRVEIKAFSVNPYDVALRLGEMKEIRTLKFPYVPGNDGAGIVTEIGSDVTTVHVGDRVAVHAVG------GTYGEEVVLPSAKVAKIPDKMSWEEAAGMVTPGITAYNLINHLTE---IQPTDTVMILGASGAVGSSLIQLLHEKGIRILTSAS-SKNEEKVKKLGASAFAAYDKTNPGLQF-ADQADLVIDATKGSIKGETGIQIMKPGGRYVALNDLPDLDLRQKKEGFYESFVPRK--------EYLDAEAFAGIIKAYQKGAFHVFISMNLSASLKHVIQAHQLVEGHPPAGKIILSFEK 1O89 Chain:A ((1-323)) LQALLLEQ----QTLASVQTLDESRLPEGDVTVDVHWSSLNYKDALAITGKGKIIR--NFPMIPGIDFAGTVRTSEDP--RFHAGQEVLLTGWGVGENHWGGLAEQARVKGDWLVAMPQGLDARKAMIIGTAGFTAMLCVMALEDAGVRPQDGEIVVTGASGGVGSTAVALLHKLGYQVVAVSGRESTHEYLKSLGASRVLPRDEFAESRPLEKQVWAGAIDTVGDKVLAKV-LAQMNYGGCVAACGLAGGFTLPTTVMPFILRNVRLQGVDSVMTPPERRAQAWQRLVADLPESFYT---QAAKEISLSEAPNFAEAIINNQIQGRTLVKV--

General information: TITO was launched using: RESULT: Template: 1O89.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 : 1829 -35626 -19.48 -118.36 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -19.48 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_1O89.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1O89-query.scw PDB file : Tito_Scwrl_1O89.pdb: