Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGELDDQNKDAPDDGNAARKRACLEHVLPSMQQRFAELAHASVGESSLTVEALFQRYQRVLKVGEGTFGEVFVLYDTVAHTYITMKRMHTLLSLRRRSLGIHRCTFREVELLAALQHPNIVQVLDYHILSDGSLVMLMPVIAHDLTSLLRRWPATPQSSGHGTASTAASMRPRMPLHVVKCIFRQIIAGIAYLHKHKVVHRDLKPSNVMVDHTGVVKLIDFGWSR-FCAAAGAMTGPPCVTAFRPPEVLVGAHNHYTFSLDIWCCGCILFEMLTGGTPFAKSRNEAECLANIVDWLGSPPSSSEVYYRCAARCTFPLAPGRPDTFAQRCNNY--GIKSAEAMFLRRMLCLEPGERATAEALLRDPWFTTAPTMCVPRAIPLPAHNMFRLVEVKRKELEH 4ERW Chain:A ((9-294)) ------------------------------------------------------MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----L-----GVPSTAIREISLLKELNHPNIVKLLDV-IHTENKLYLVFEFLHQDLKKFMD-----------------ASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCSKYYSTAVDIWSLGCIFAEMVTRRALFP-GDSEIDQLFRIFRTLGTP---DEVVWPGVTSMP-DYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFF--------------------------------

General information: TITO was launched using: RESULT: Template: 4ERW.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 : 1334 -167616 -125.65 -602.94 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -125.65 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.311

(partial model without unconserved sides chains): PDB file : Tito_4ERW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ERW-query.scw PDB file : Tito_Scwrl_4ERW.pdb: