Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGELDDQNKDAPDDGNAARKRACLEHVLPSMQQRFAELAHASVGESSLTVEALFQRYQRVLKVGEGTFGEVFVLYDTVAHTYITMKRMHTLLSLRRRSLGIHRCTFREVELLAALQHPNIVQVLDYHILSDGSLVMLMPVIAHDLTSLLRRWPATPQSSGHGTASTAASMRPRMPLHVVKCIFRQIIAGIAYLHKHKVVHRDLKPSNVMVDHTGVVKLIDFGWSR-FCAAAGAMTGPPCVTAFRPPEVLVGAHNHYTFSLDIWCCGCILFEMLTGGTPFAKSRNEAECLANIVDWLGSP-----PSSSEVYYRCAARCTFPLAPGRP--DTFAQRCNNYGIKSAEAMFLRRMLCLEPGERATAEALLRDPWFTTAPTMCVPRAIPLPAHNMFRLVEVKRKELEH 3NIZ Chain:A ((15-304)) -------------------------------------------------YFQGLMEKYQKLEKVGEGTYGVVYKAKDSQGRI-VALKRIR----------GIPSTAIREISLLKELHHPNIVSLIDV-IHSERCLTLVFEFMEKDLKKVLDENKTGLQDSQ------------------IKIYLYQLLRGVAHCHQHRILHRDLKPQNLLINSDGALKLADFGLARAFGIPVR---HEVVTLWYRAPDVLMGS-KKYSTSVDIWSIGCIFAEMIT-GKPLFPGVTDDDQLPKIFSILGTPNPREWPQVQEL--PLWKQRTFQVFEKKPWSSIIPGFCQE-GID-----LLSNMLCFDPNKRISARDAMNHPYF--------------------------------

General information: TITO was launched using: RESULT: Template: 3NIZ.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 : 1322 -141283 -106.87 -517.52 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -106.87 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_3NIZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NIZ-query.scw PDB file : Tito_Scwrl_3NIZ.pdb: