Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGELDDQNKDAPDDGNAARKRACLEHVLPSMQQRFAELAHASVGESSLTVEALFQRYQRVLKVGEGTFGEVFVLYDTVAHTYITMKRMHTLLSLRRRSLGIHRCTFREVELLAALQHPNIVQVLDYHILSDGSLVMLMPVIAHDLTSLLRRWPATPQSSGHGTASTAASMRPRMPLHVVKCIFRQIIAGIAYLHKHKVVHRDLKPSNVMVDHTGVVKLIDFGWSR-FCAAAGAMTGPPCVTAFRPPEVLVGAHNHYTFSLDIWCCGCILFEMLTGGTPFAKSRNEAECLANIVDWLGSPPSSSEVYYRCAARCTFP-LAPGRPDTFAQRCNNY--GIKSAEAMFLRRMLCLEPGERATAEALLRDPWFTTAPTMCVPRAIPLPAHNMFRLVEVKRKELEH 2WIH Chain:A ((7-291)) -------------------------------------------------------ENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----LDTETEGVPSTAIREISLLKELNHPNIVKLLDV-IHTENKLYLVFEFLHQDLKKFM-----------------DASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGC-KYYSTAVDIWSLGCIFAEMVTRRALFPGD-SEIDQLFRIFRTLGTP---DEVVW--PGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFF--------------------------------

General information: TITO was launched using: RESULT: Template: 2WIH.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 : 1370 -147400 -107.59 -524.56 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -107.59 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_2WIH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WIH-query.scw PDB file : Tito_Scwrl_2WIH.pdb: