Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------MSFLSKNGAGILACLLISIL---SWYL----GGFFPVI------------GAPVFAIFIGML-----------------LHPFLSSYKQLDAGLTFSSKKLLQYAVVLLGFGLNISQVFAVG-QSSLPV---------------------ILSTISIALIIAYLFQRF-FALDTKLATLVGVG----SSICGGSAIAATAPVIHAKEKEVAQAISVI------FFFNVLAALIFPTLG----TWLHLSNEGF----ALFAGTAVNDTSSVTAAASAWDSLY----QSNTLESATIVKLT----RTLAIIPITLFL-----------------SYWQSRQQENKQSLQLKKVFPLF--------ILYFILAS---LLTTLLTSLGVSSSFFTPLKQLSK------FLIVMAMSAIGL-KTNLVAMVKS--SGKSILL---GAICWIAIILTTLGMQTLIGIF------------ 2I3O Chain:D ((2-516)) FRSRPNALSQRSVIASSSELASLAGRDILKRGGNIFDAALAVSALCVTQNNLCGLGGDLFALIRDENGQIDLNGSGQASRAVSIDYYESGLTKIPERGPYAAITVPGIAGSWDEIFRKFATDIADILEPAIRTASAGFPITQNYSDSIARSAPVIGQYRGWSSIFPNGSVPVAGEILKQPDLAESFRLSEEGFRSFYDGSLADIIIAGLEGTGSPLSDRDLRVYRPLIGKPVFTDLDEFRIYETSPNSQGITVIEWIRGESHGYDSRTWEAKIEDIFETEEAYDKRRKITDPSYNIAQHDSANGKGLPKRDHNDIGDTTYFSISDSEGRSVSIIQSNYGFGSGIVPKGTGFVLQNRGSYF-TLQRDHPNALPGKRTFHTLAACVEKEHDLYASLGSGGDIQPQVQQILEILKDNTDPQAILDKPRWTEPYTIYEAPGAVYVESEELYRNVSKQISGRKVVLRDVSQEFGTAQITTLIRGDVVVGAADPRGDGIAIPYS

General information: TITO was launched using: RESULT: Template: 2I3O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1445 -68276 -47.25 -203.81 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain D : 0.66 3D Compatibility (PKB) : -47.25 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.66 QMean score : -0.018

(partial model without unconserved sides chains): PDB file : Tito_2I3O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2I3O-query.scw PDB file : Tito_Scwrl_2I3O.pdb: