Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMDSQIQSLPEAIRKYIEGREYTIDDMGKSGSKVLIF----EDMVLKITDK-----PCDDKDAVEMMRWLEGKIPAPQVIVFEEDDSYSYLLMTKVRGKVACDKYYLER-PKELVPLLSKSIKMLQSIDITDCPVVKNVDRELKKAAYRVKNGLVDISDAEPDTFGENGRFRDPEELLSWLQENRPPYEPVLSHGDLCLPNILIEKGNISGFIDMGNCGIADKWEDIAILYRSLRHNF-DGTYGKIYPGLEPDSFFEELGIEPDREKIDYYILLDELF 2BKK Chain:C ((3-264)) ----KMRISPE-LKKLIEKYRSVKDTEGMSPAKVYKLVGENENLYLKMTDSRYKGTTYDVEREKDMMLWLEGKLPVPKVLHFERHDGWSNLLMSEADGVLCSEEYEDEQSPEKIIELYAECIRLFHSIDISDCPYTNSLDSRLAELDYLLNN---DLADVDSENWEEDTPFKDPRELYDFLKTEKPEEELVFSHGDLGDSNIFVKDGKVSGFIDLGRSGRADKWYDIAFCVRSIREDIGEEQYVEL--------FFDLLGIKPDWEKIKYYILLDELF

General information: TITO was launched using: RESULT: Template: 2BKK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1123 58725 52.29 233.96 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : 52.29 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_2BKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2bkk-query.scw PDB file : Tito_Scwrl_2BKK.pdb: