Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGELDDQNKDAPDDGNAARKRACLEHVLPSMQQRFAELAHASVGESSLTVEALFQRYQRVLKVGEGTFGEVFVLYDTVAHTYITMKRMHTLLSLRRRSLGIHRCTFREVELLAALQHPNIVQVLDYHILSDGSLVMLMPVIAHDLTSLLRRWPATPQSSGHGTASTAASMRPRMPLHVVKCIFRQIIAGIAYLHKHKVVHRDLKPSNVMVDHTGVVKLIDFGWSR-FCAAAGAMTGPPCVTAFRPPEVLVGAHNHYTFSLDIWCCGCILFEMLTGGTPFAKSRNEAECLANIVDWLGSPPSSSEVYYRCAARCTFPLAPGRPDTFAQRCNNY--GIKSAEAMFLRRMLCLEPGERATAEALLRDPWFTTAPTMCVPRAIPLPAHNMFRLVEVKRKELEH 3PXF Chain:A ((8-294)) -----------------------------------------------------FMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----LDTETEGVPSTAIREISLLKELNHPNIVKLLDV-IHTENKLYLVFEFLHQDLKKFMD-----------------ASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGC-KYYSTAVDIWSLGCIFAEMVTRRALFP-GDSEIDQLFRIFRTLGTP---DEVVWPGVTSMP-DYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFF--------------------------------

General information: TITO was launched using: RESULT: Template: 3PXF.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 : 1359 -147096 -108.24 -517.94 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -108.24 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_3PXF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PXF-query.scw PDB file : Tito_Scwrl_3PXF.pdb: