Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTITLPALPYGYDDLAPHISKETLEYHHDKHHNTYVVNLNNLIKGTDLEGKTLEEIIKATAGDASKAGIFNNAAQVWNHTFYWNSMKPNGGGKPTGAIAAKIDEAFGSYEKFAEEFTAAATTQFGSGWAWLVADEVNGKLSITKTSNADTPLAHGQIAVLTIDVWEHAYYIDFRNLRPKYIATFLENLVNWDYANAKLAGQPAGVEK 2BKB Chain:A ((1-191)) --SFELPALPYAKDALAPHISAETIEYHYGKHHQTYVTNLNNLIKGTAFEGKSLEEIIRSSEG-----GVFNNAAEVWNHTFYWNCLAPNAGGEPTGKVAEAIAASFGSFADFKAQFTDAAIKNFGSGWTWLVKNS-DGKLAIVSTSNAGTPLTTDATPLLTVDVWEHAYYIDYRNARPGYLEHFWA-LVNWEFVAKNLA--------

General information: TITO was launched using: RESULT: Template: 2BKB.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 : 914 -101019 -110.52 -528.89 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -110.52 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.675

(partial model without unconserved sides chains): PDB file : Tito_2BKB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BKB-query.scw PDB file : Tito_Scwrl_2BKB.pdb: