Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGELDDQNKDAPDDGNAARKRACLEHVLPSMQQRFAELAHASVGESSLTVEALFQRYQRVLKVGEGTFGEVFVLYDTVAHTYITMKRMHTLLSLRRRSLGIHRCTFREVELLAALQHPNIVQVLDYHILSDGSLVMLMPVIAHDLTSLLRRWPATPQSSGHGTASTAASMRPRMPLHVVKCIFRQIIAGIAYLHKHKVVHRDLKPSNVMVDHTGVVKLIDFGWSR-FCAAAGAMTGPPCVTAFRPPEVLVGAHNHYTFSLDIWCCGCILFEMLTGGTPFAKSRNEAECLANIVDWLGSP-----PSSSEVYYRCAARCTFPLAPGRP--DTFAQRCNNYGIKSAEAMFLRRMLCLEPGERATAEALLRDPWFTTAPTMCVPRAIPLPAHNMFRLVEVKRKELEH 2QKR Chain:A ((15-304)) -------------------------------------------------YFQGLMEKY--LEKVGEG---VVYKAKDSQ-RI-VALKRI--------------STAIREISLLKELHHPNIVSLIDV-IHSE-CLTLVFEFMEKDLKKVLDENKTGLQDSQ------------------IKIYLYQLLRGVAHCHQHRILHRDLKPQNLLINSD-ALKLADFGLARAFGIPVR-----VVTLWYRAPDVLMGS-KKYSTSVDIWSIGCIFAEMIT-GKPLFPGVTDDDQLPKIFSILGTPNPREWPQVQEL--PLWKQRTFQVFEKKPWSSIIPGFCQE-GID-----LLSNMLCFDPNKRISARDAMNHPYF--------------------------------

General information: TITO was launched using: RESULT: Template: 2QKR.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 : 1235 -141286 -114.40 -545.50 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -114.40 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_2QKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QKR-query.scw PDB file : Tito_Scwrl_2QKR.pdb: