Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSAAKDSCPAESSGHLNNEKAQLSKIPSSHPDPSKVAVASKVKAAYSFERPDTSSWKLSDFELKNTLGTGSFGRVRIAHRKGTEEYYAIKCLRKREIIKMKQQQHVAQEKGILMELCHPFIVNMMCSFQDEKKVYFVLEFVMGGEMFTHLRTAGRFPNDVAKFYHAELVLAFEYLHSLDVIYRDLKPENLLLDNKGHAKVTDFGFAKKVPD---RTFTLCGTPEYLAPEVIQSKGHGKAVDWWTMGVLLYEFIAGYPPFYDDTPFRIYEKILAGRLKFPNWFDGRARDLVKGLLQTDHTKRLGTLKGGPADVKSHPYFHGANWDKLYARYYPAPIPVRVKSPGDTSNFEKYPDSPVDRTPALTSAQQAEFNGF 2R5T Chain:A ((36-320)) ---------------------------------------------------------KPSDFHFLKVIGKGSFGKVLLARHKAEEVFYAVKVLQKKAIL------------VLLKNVKHPFLVGLHFSFQTADKLYFVLDYINGGELFYHLQRERCFLEPRARFYAAEIASALGYLHSLNIVYRDLKPENILLDSQGHIVLTDFGLCKENIEHNSTTSTFCGTPEYLAPEVLHKQPYDRTVDWWCLGAVLYEMLYGLPPFYSRNTAEMYDNILNKPLQLKPNITNSARHLLEGLLQKDRTKRLGAK-DDFMEIKSHVFFSLINWDDLINKKITPPFNPNVSG--------------------------------

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 -97316 -73.56 -361.77 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -73.56 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.520

(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: