Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAVKIQTSAGTIEITNDV-IATVVGGAATDVFGV-VGMASKNQIKD--NITEILRKENYSRGVVVRQED----NGIAVDVYTIISYGTKISE-VSRNV----QEKVKYNLEALLGVTANSVNVFVQGVRVLPD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 5B86 Chain:A ((17-600)) DGPLPTVEELKEALEHGRLEVAWQVLALERQLEAAAAAGGMSNEELVWRQSKVEALYVLLCDQVLGVLRRPLEAAPERLSQALAVVSQEELEDRRASGGPLAAALEATRPRRWLQRWRGVVAEVAAERLDAQPGRSEAESRFLHMGRTMKEDLEVVVERLKPLFPDEFNVVRTYAESYHYHFASHLCALAQFELCERDTYLLLLWVQNLYPNDILNSPKLAQELQGVGLGSLLPPKQIRLLEAMFLSNEVTSVKQLMARALELESQRWTQDVAPQSLDGHCHSELAIDILQIISQGQTKAENITSDVGMQIKQLLLVELAALLRSYQRAFDEFLEKSKLLRNYRVNIMANINNCLFFWTSVEQKWQISHDSLNRLLEPLKDLKAHGFDTLLQSLFLDLKPLFKKFTQTRWANPVETLEEIITTVSSSLPEFSELQDCFREELMETVHLHLVKEYIIRLCKRRLVLKTAEQQQQLARHILANADAIQGFCTENGSTATWLHRALPMIAEIIRLQDSSAIKIEVATYATWYPDFSKGHLNAILAIKGNLPSSEVRSIRNILDINTGVQEPPRPLFSLIKVT

General information: TITO was launched using: RESULT: Template: 5B86.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 : 393 29897 76.07 249.14 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 76.07 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.078

(partial model without unconserved sides chains): PDB file : Tito_5B86.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5B86-query.scw PDB file : Tito_Scwrl_5B86.pdb: