Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------MALSPEIEFEDIEDDSEVIETSQTYKIDFE--NGRITNEIITGLEAIKQFVYLSLHTERYAY----------SVY-SH-----DIGNELQ-DVLADNETTDAYKKMEIPRLIEEALIYDDRISAVTDFEIEKQGESFR-----------VSFTVETDEGTLEIEEVLGEDV 4QRK Chain:A ((9-220)) KPKEEIKIVEPNGAEKTKLNLNFGVGKLNISGNEEKLMKGKFIYSENEWKPEIKYEVKDKDGELEISQPGLKSGNVSLNNKRNEWNINLNEKIPTEIKLSLGTGEFKADLSKINLKELNVGMGVGKVDLDISGNYKNNVKVNIEGGVGEATVYLPKSIGVKIKAEKGVGAVNANGFIVEGENIYKNSQYGKSKNSIEVNIEAGVGAINIKQK-----

General information: TITO was launched using: RESULT: Template: 4QRK.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 : 725 47796 65.92 351.44 target 2D structure prediction score : 0.32 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 65.92 2D Compatibility (Sec. Struct. Predict.) : 0.32 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.130

(partial model without unconserved sides chains): PDB file : Tito_4QRK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QRK-query.scw PDB file : Tito_Scwrl_4QRK.pdb: