Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVSVGPKPEVAGTAQVPLGPTRTNVHGASPIIAASSRSAHAMSPGTWSSSLKPKVECNVTKPDTSSWKLSDFELKNTLGTGSFGRVRIAHRKGTEEYYAIKCLRKREIIKMKQQQHVAQEKGILMELCHPFIVNMMCSFQDEKKVYFVLEFVMGGEMFTHLRTAGRFPNDVAKFYHAELVLAFEYLHSLDVIYRDLKPENLLLDNKGHAKVTDFGFAKKVPD---RTFTLCGTPEYLAPEVIQSKGHGKAVDWWTMGVLLYEFIAGYPPFYDDTPFRIYEKILAGRLKFPNWFDGRARDLVKGLLQTDHTKRLGTLKGGPADVKSHPYFHGANWDKLYARYYPAPIPVRVKSPGDTSNFEKYPDSPVDRTPALTSAQQAEFKEF 2R5T Chain:A ((36-320)) --------------------------------------------------------------------KPSDFHFLKVIGKGSFGKVLLARHKAEEVFYAVKVLQKKAIL------------VLLKNVKHPFLVGLHFSFQTADKLYFVLDYINGGELFYHLQRERCFLEPRARFYAAEIASALGYLHSLNIVYRDLKPENILLDSQGHIVLTDFGLCKENIEHNSTTSTFCGTPEYLAPEVLHKQPYDRTVDWWCLGAVLYEMLYGLPPFYSRNTAEMYDNILNKPLQLKPNITNSARHLLEGLLQKDRTKRLGA-KDDFMEIKSHVFFSLINWDDLINKKITPPFNPNVSG--------------------------------

General information: TITO was launched using: RESULT: Template: 2R5T.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 : 1323 -92341 -69.80 -343.27 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -69.80 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_2R5T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R5T-query.scw PDB file : Tito_Scwrl_2R5T.pdb: