Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGELDDQNKDAPDDGNAARKRACLEHVLPSMQQRFAELAHASVGESSLTVEALFQRYQRVLKVGEGTFGEVFVLYDTVAHTYITMKRMHTLLSLRRRSLGIHRCTFREVELLAALQHPNIVQVLDYHILSDGSLVMLMPVIAHDLTSLLRRWPATPQSSGHGTASTAASMRPRMPLHVVKCIFRQIIAGIAYLHKHKVVHRDLKPSNVMVDHTGVVKLIDFGWSR-FCAAAGAMTGPPCVTAFRPPEVLVGAHNHYTFSLDIWCCGCILFEMLTGGTPFAKSRNEAECLANIVDWLGSPPSS--SEVYYRCAARCTFPLAPGRPDTFAQRCNNYGIKSAEAMFLRRMLCLEPGERATAEALLRDPWFTTAPTMCVPRAIPLPAHNMFRLVEVKRKELEH 5LQF Chain:A ((7-293)) -------------------------------------------------------EDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIR----LESEEEGVPSTAIREISLLKELRHPNIVSLQDV-LMQDSRLYLIFEFLSMDLKKYLDSIPP-----GQYMDSS-----------LVKSYLYQILQGIVFCHSRRVLHRDLKPQNLLIDDKGTIKLADFGLARAFGIPIR-----VVTLWYRSPEVLLGS-ARYSTPVDIWSIGTIFAELAT-KKPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNTFP--KWKPGSLASHVKNLDENGLD--LLSKMLIYDPAKRISGKMALNHPYFN-------------------------------

General information: TITO was launched using: RESULT: Template: 5LQF.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 : 1368 -139533 -102.00 -500.12 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -102.00 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_5LQF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LQF-query.scw PDB file : Tito_Scwrl_5LQF.pdb: