Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFMKLFKKKDKKDKEDDKKSESTPTLENKRVETPEPPQEKLTKDDFETLDVLGKGSFAYVVLCRRLSTNKYYAMKVINKQGLLDHKRVQDVFTERNVLTRLNHPYLLKLYWTFQSEHKLFFVMDYMPGGDLDKYMNSVPKKQLDPATAQLYGAEILLAIMCLHEHSVIYRDLKPENILLDGEGHCALADFGLSKDFHKDGQDVSDKDLRANSFVGSPFYVAPDVLRQREYTNAVDFWSFGILLYRMLCGRTPFNGRSMTEVFDNILYSDLSFPSGVTVSPEAKDLISRLLMKDPNRRIKGP----EVKQHPYWTGISFEEVAQRKVAPPRWTPLPSVEEMLAARKNVSAGPSTSLKNPHQVVNTPAQSSQLNDGQQRLFGGFSCTADSHLNNS 2R5T Chain:A ((32-320)) -------------------------------------NPHAKPSDFHFLKVIGKGSFGKVLLARHKAEEVFYAVKVLQKKAIL------------VLLKNVKHPFLVGLHFSFQTADKLYFVLDYINGGELFYHLQRE--RCFLEPRARFYAAEIASALGYLHSLNIVYRDLKPENILLDSQGHIVLTDFGLCKENIEHN-------STTSTFCGTPEYLAPEVLHKQPYDRTVDWWCLGAVLYEMLYGLPPFYSRNTAEMYDNILNKPLQLK--PNITNSARHLLEGLLQKDRTKRLGAKDDFMEIKSHVFFSLINWDDLINKKIT-PPFNPNVSG--------------------------------------------------------

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 : 1342 -168809 -125.79 -620.62 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -125.79 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.601

(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: